data_1ufm_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 1ufm _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 ' 302' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -65.69 -36.46 83.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.247 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 304' ' ' VAL . . . . . . . . . . . . . 70.4 t -63.12 -46.23 96.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.334 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 305' ' ' ILE . . . . . . . . . . . . . 5.3 mt -60.18 -44.65 95.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -57.79 -48.41 79.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.361 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 25.8 t60 -69.66 -45.4 68.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.614 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 308' ' ' ASN . . . . . 0.507 ' CB ' ' CD2' ' A' ' 328' ' ' LEU . 6.9 m-20 -54.94 -39.01 68.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 309' ' ' LEU . . . . . 0.459 ' CD1' HD12 ' A' ' 328' ' ' LEU . 1.3 tp -62.83 -40.02 96.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.419 1.075 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 310' ' ' LEU . . . . . . . . . . . . . 18.9 mt -74.15 -37.7 63.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.278 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.05 -45.1 86.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.995 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -66.26 -35.54 80.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 313' ' ' SER . . . . . . . . . . . . . 25.8 p -62.67 -25.25 68.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.568 1.168 . . . . 0.0 110.046 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 314' ' ' LYS . . . . . . . . . . . . . 35.6 mtmt -100.17 -13.11 19.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 7.4 mt -101.56 -82.19 0.47 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -70.25 118.25 12.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.973 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 317' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.1 -41.4 78.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.35 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -152.92 135.85 15.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.272 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 319' ' ' ILE . . . . . 0.467 ' CG2' HD12 ' A' ' 324' ' ' LEU . 20.2 tt -146.23 147.06 18.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.275 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 320' ' ' THR . . . . . . . . . . . . . 70.6 p -85.12 163.26 18.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 110.424 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 321' ' ' PHE . . . . . 0.417 ' CE2' ' O ' ' A' ' 357' ' ' GLY . 48.1 m-85 -58.93 -36.36 74.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -62.42 -49.21 76.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 110.306 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -72.23 -44.73 62.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.163 . . . . 0.0 110.327 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 324' ' ' LEU . . . . . 0.467 HD12 ' CG2' ' A' ' 319' ' ' ILE . 21.3 tp -57.3 -41.96 80.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 325' ' ' GLY . . . . . 0.468 ' O ' ' N ' ' A' ' 330' ' ' ILE . . . -69.82 -32.3 70.28 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -70.11 -28.19 65.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 0.754 . . . . 0.0 109.266 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.57 -39.9 57.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 328' ' ' LEU . . . . . 0.507 ' CD2' ' CB ' ' A' ' 308' ' ' ASN . 0.1 OUTLIER -92.1 2.54 56.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.079 . . . . 0.0 109.329 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 64.99 10.1 5.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.328 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 330' ' ' ILE . . . . . 0.468 ' N ' ' O ' ' A' ' 325' ' ' GLY . 2.9 pt -104.19 164.22 15.74 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 331' ' ' PRO . . . . . 0.443 ' HD2' ' HB ' ' A' ' 330' ' ' ILE . 18.4 Cg_endo -74.98 157.89 42.59 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.511 1.795 . . . . 0.0 111.034 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 332' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 336' ' ' GLU . . . -58.72 -32.8 69.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -63.24 -42.99 99.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 334' ' ' LYS . . . . . 0.49 ' O ' ' CG1' ' A' ' 338' ' ' ILE . 8.3 tttt -72.03 -47.4 52.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 335' ' ' ALA . . . . . . . . . . . . . . . -63.83 -31.01 72.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 332' ' ' ALA . 9.0 tt0 -71.05 -47.43 58.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.286 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 3.5 mmtp -69.35 -45.27 69.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 338' ' ' ILE . . . . . 0.49 ' CG1' ' O ' ' A' ' 334' ' ' LYS . 2.0 mm -60.46 -47.68 91.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 109.285 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 339' ' ' ALA . . . . . 0.455 ' HA ' ' CD2' ' A' ' 309' ' ' LEU . . . -58.06 -45.17 87.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.35 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.74 -42.28 82.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.009 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -63.11 -37.6 87.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.297 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 342' ' ' MET . . . . . 0.44 ' HG3' ' CD2' ' A' ' 309' ' ' LEU . 37.5 mmm -63.49 -41.63 98.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.996 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 343' ' ' ILE . . . . . . . . . . . . . 29.7 mt -65.19 -42.61 94.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 2.9 m -67.78 -32.64 73.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 110.394 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -79.89 -6.05 56.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 110.297 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 81.92 -7.6 62.45 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.536 1.148 . . . . 0.0 111.007 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 347' ' ' ARG . . . . . . . . . . . . . 10.3 mtp180 -56.26 -45.17 80.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 0.776 . . . . 0.0 110.316 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 348' ' ' MET . . . . . 0.432 ' HG2' ' N ' ' A' ' 349' ' ' ASN . 13.3 ttm -112.55 142.59 44.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 111.038 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 349' ' ' ASN . . . . . 0.432 ' N ' ' HG2' ' A' ' 348' ' ' MET . 0.7 OUTLIER -106.29 131.03 54.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 134.72 -156.66 22.59 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 351' ' ' PHE . . . . . . . . . . . . . 36.4 p90 -146.03 164.98 30.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 0.754 . . . . 0.0 111.009 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 13.2 mt -104.18 127.85 58.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 0.0 109.345 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 353' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -89.88 109.99 20.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -88.24 -14.36 38.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.312 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 10.0 mt -70.31 -42.36 78.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.329 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -107.39 -13.12 15.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 357' ' ' GLY . . . . . 0.417 ' O ' ' CE2' ' A' ' 321' ' ' PHE . . . 71.3 30.23 67.4 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.527 1.142 . . . . 0.0 110.963 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 358' ' ' ILE . . . . . . . . . . . . . 48.3 mt -112.89 146.57 17.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.55 0.794 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 359' ' ' VAL . . . . . . . . . . . . . 50.0 t -90.5 119.72 38.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 360' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -87.43 110.85 20.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.593 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 361' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -101.44 152.25 20.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.959 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 110.3 179.968 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 302' ' ' ARG . . . . . 0.471 ' HD2' ' CD1' ' A' ' 338' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -67.85 -36.31 80.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 304' ' ' VAL . . . . . . . . . . . . . 70.1 t -69.39 -46.37 76.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 305' ' ' ILE . . . . . 0.456 HG23 ' CD1' ' A' ' 338' ' ' ILE . 10.3 mt -60.45 -38.85 79.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -57.65 -48.62 78.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.318 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 21.2 t60 -70.87 -42.98 69.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.551 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 308' ' ' ASN . . . . . 0.47 ' CB ' HD21 ' A' ' 328' ' ' LEU . 9.0 m-20 -57.96 -38.99 77.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 309' ' ' LEU . . . . . 0.493 ' CD2' ' HA ' ' A' ' 339' ' ' ALA . 1.3 mp -62.76 -39.34 93.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 310' ' ' LEU . . . . . . . . . . . . . 23.5 mt -72.3 -41.47 66.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 16.5 m -63.49 -45.06 92.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.975 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -69.37 -39.49 78.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 313' ' ' SER . . . . . 0.447 ' HA ' ' CG ' ' A' ' 361' ' ' PHE . 17.1 t -61.14 -26.56 67.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.985 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 314' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -94.91 -17.67 21.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 6.5 mt -93.34 -87.85 0.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 109.271 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -59.15 153.85 17.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 110.978 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 317' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -85.79 -44.33 12.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.274 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -154.25 136.77 15.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 319' ' ' ILE . . . . . . . . . . . . . 18.1 tt -146.26 142.0 21.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 320' ' ' THR . . . . . . . . . . . . . 1.6 p -79.12 162.74 25.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.409 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 321' ' ' PHE . . . . . 0.462 ' HB3' ' CB ' ' A' ' 332' ' ' ALA . 71.7 m-85 -56.47 -39.01 72.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 111.003 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -61.16 -49.18 78.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.566 1.166 . . . . 0.0 110.308 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -72.01 -44.08 64.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.317 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 324' ' ' LEU . . . . . 0.518 ' O ' ' CD1' ' A' ' 328' ' ' LEU . 23.9 tp -57.32 -42.47 81.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 325' ' ' GLY . . . . . 0.469 ' O ' ' N ' ' A' ' 330' ' ' ILE . . . -74.1 -32.74 58.13 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.483 1.115 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -66.93 -29.1 68.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 0.773 . . . . 0.0 109.333 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.72 -41.94 52.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.157 . . . . 0.0 109.261 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 328' ' ' LEU . . . . . 0.518 ' CD1' ' O ' ' A' ' 324' ' ' LEU . 0.1 OUTLIER -87.59 3.68 46.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.153 . . . . 0.0 109.293 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 64.9 10.02 5.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.288 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 330' ' ' ILE . . . . . 0.469 ' N ' ' O ' ' A' ' 325' ' ' GLY . 2.6 pt -105.46 162.72 18.88 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 331' ' ' PRO . . . . . 0.477 ' HD2' ' CB ' ' A' ' 334' ' ' LYS . 18.3 Cg_endo -75.03 159.66 40.99 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.492 1.785 . . . . 0.0 110.999 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 332' ' ' ALA . . . . . 0.462 ' CB ' ' HB3' ' A' ' 321' ' ' PHE . . . -58.32 -36.94 74.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -61.83 -35.93 79.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 334' ' ' LYS . . . . . 0.477 ' CB ' ' HD2' ' A' ' 331' ' ' PRO . 0.0 OUTLIER -75.19 -47.97 25.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 335' ' ' ALA . . . . . 0.5 ' O ' ' CB ' ' A' ' 339' ' ' ALA . . . -64.33 -30.76 71.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -71.12 -47.11 59.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.341 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 28.5 tptt -66.3 -45.88 78.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 338' ' ' ILE . . . . . 0.471 ' CD1' ' HD2' ' A' ' 302' ' ' ARG . 90.1 mt -64.65 -47.3 89.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 339' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 335' ' ' ALA . . . -56.31 -43.79 79.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.78 -44.87 65.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 110.001 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.9 -35.64 75.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.328 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 342' ' ' MET . . . . . . . . . . . . . 9.2 mtp -62.61 -50.04 72.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 343' ' ' ILE . . . . . . . . . . . . . 35.7 mt -67.82 -37.49 78.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 1.8 m -62.19 -40.0 94.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.407 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -81.21 -7.26 59.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 110.337 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 84.85 -11.87 58.7 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.544 1.153 . . . . 0.0 110.958 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 347' ' ' ARG . . . . . . . . . . . . . 14.7 mtt-85 -48.19 -48.8 34.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 0.753 . . . . 0.0 110.276 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 39.7 ttp -106.25 152.43 23.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 111.014 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -110.1 133.5 53.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 130.73 -165.84 22.72 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.528 1.142 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 351' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -146.19 158.15 43.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 0.741 . . . . 0.0 110.979 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 28.1 mt -97.83 126.4 50.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 353' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -89.53 109.91 20.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -84.72 -20.39 31.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.446 1.091 . . . . 0.0 110.299 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 34.6 mt -66.85 -40.77 86.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.27 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -106.57 -14.74 14.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . 68.35 33.37 77.4 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.462 1.101 . . . . 0.0 111.016 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 358' ' ' ILE . . . . . . . . . . . . . 58.9 mt -116.85 144.38 24.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.547 0.792 . . . . 0.0 109.287 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 359' ' ' VAL . . . . . 0.562 HG12 ' CZ ' ' A' ' 361' ' ' PHE . 69.0 t -90.09 122.48 41.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 360' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -93.86 111.02 22.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.572 1.17 . . . . 0.0 109.558 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 361' ' ' PHE . . . . . 0.562 ' CZ ' HG12 ' A' ' 359' ' ' VAL . 12.2 m-85 -99.66 156.46 17.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 0.0 110.319 179.975 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 302' ' ' ARG . . . . . . . . . . . . . 5.9 tpp85 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.35 -0.241 . . . . 0.0 110.35 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -68.84 -32.0 71.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.252 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 304' ' ' VAL . . . . . . . . . . . . . 50.3 t -71.91 -46.42 60.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 109.344 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 305' ' ' ILE . . . . . . . . . . . . . 4.7 mt -60.05 -43.09 91.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.95 -44.48 96.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 110.323 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 26.8 t60 -69.02 -48.77 62.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.622 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 308' ' ' ASN . . . . . 0.473 ' HB3' ' CD2' ' A' ' 328' ' ' LEU . 1.2 m-80 -54.83 -38.49 67.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 309' ' ' LEU . . . . . 0.468 ' CD1' HG23 ' A' ' 338' ' ' ILE . 0.9 OUTLIER -62.76 -38.63 91.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 310' ' ' LEU . . . . . . . . . . . . . 22.3 mt -73.35 -38.16 65.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 109.3 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 311' ' ' SER . . . . . 0.449 ' O ' ' CD1' ' A' ' 315' ' ' LEU . 0.8 OUTLIER -68.37 -45.06 73.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.054 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -65.91 -24.43 66.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 313' ' ' SER . . . . . 0.471 ' HA ' ' CG ' ' A' ' 361' ' ' PHE . 11.7 t -67.77 -43.03 80.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.034 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 314' ' ' LYS . . . . . . . . . . . . . 28.1 mtmt -101.92 35.23 2.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.26 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 315' ' ' LEU . . . . . 0.449 ' CD1' ' O ' ' A' ' 311' ' ' SER . 6.3 mt -137.29 -69.42 0.46 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.12 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -79.61 154.34 28.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.15 . . . . 0.0 110.985 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 317' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -82.52 -38.82 23.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.247 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -166.42 135.71 3.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 319' ' ' ILE . . . . . 0.457 ' CD1' ' HA ' ' A' ' 324' ' ' LEU . 1.4 tt -146.55 143.24 20.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 320' ' ' THR . . . . . . . . . . . . . 5.4 t -86.31 168.98 13.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 110.418 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 321' ' ' PHE . . . . . 0.526 ' CB ' ' CB ' ' A' ' 332' ' ' ALA . 29.8 m-85 -61.31 -39.12 89.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 111.027 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -59.4 -49.05 79.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.317 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -70.94 -48.19 54.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 324' ' ' LEU . . . . . 0.496 ' CD2' ' CD1' ' A' ' 328' ' ' LEU . 4.1 tt -57.21 -42.51 81.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 325' ' ' GLY . . . . . 0.485 ' O ' ' N ' ' A' ' 330' ' ' ILE . . . -68.37 -32.32 75.45 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.514 1.134 . . . . 0.0 110.976 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -71.34 -26.19 62.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 0.792 . . . . 0.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -75.62 -38.59 58.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 328' ' ' LEU . . . . . 0.496 ' CD1' ' CD2' ' A' ' 324' ' ' LEU . 0.1 OUTLIER -95.09 3.92 54.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 65.55 9.05 5.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 110.293 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 330' ' ' ILE . . . . . 0.485 ' N ' ' O ' ' A' ' 325' ' ' GLY . 3.8 pt -102.97 163.41 17.59 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 109.352 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 331' ' ' PRO . . . . . 0.479 ' HD2' ' CB ' ' A' ' 334' ' ' LYS . 18.3 Cg_endo -75.02 160.08 40.51 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.485 1.782 . . . . 0.0 110.954 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 332' ' ' ALA . . . . . 0.526 ' CB ' ' CB ' ' A' ' 321' ' ' PHE . . . -58.45 -37.79 76.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.265 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -61.12 -35.57 77.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.335 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 334' ' ' LYS . . . . . 0.479 ' CB ' ' HD2' ' A' ' 331' ' ' PRO . 0.0 OUTLIER -75.47 -47.93 24.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 335' ' ' ALA . . . . . 0.502 ' O ' ' CB ' ' A' ' 339' ' ' ALA . . . -64.44 -32.36 73.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 332' ' ' ALA . 5.0 tt0 -70.57 -47.1 61.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.304 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 6.2 mmtm -61.84 -45.52 93.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.361 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 338' ' ' ILE . . . . . 0.468 HG23 ' CD1' ' A' ' 309' ' ' LEU . 58.2 mt -69.51 -43.48 80.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 339' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 335' ' ' ALA . . . -57.26 -43.64 83.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.28 -43.42 70.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 110.013 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.47 -38.15 80.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.264 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 342' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -43.1 99.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 343' ' ' ILE . . . . . . . . . . . . . 51.7 mt -68.25 -41.96 84.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 1.2 m -70.47 -29.18 65.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.416 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -79.89 -9.41 59.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.336 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 83.98 -12.76 52.42 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.499 1.125 . . . . 0.0 111.035 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 347' ' ' ARG . . . . . . . . . . . . . 36.3 mtt-85 -54.69 -44.52 73.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 0.776 . . . . 0.0 110.299 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 348' ' ' MET . . . . . 0.457 ' HG2' ' N ' ' A' ' 349' ' ' ASN . 6.2 ttm -112.92 144.07 43.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 111.025 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 349' ' ' ASN . . . . . 0.457 ' N ' ' HG2' ' A' ' 348' ' ' MET . 0.6 OUTLIER -108.59 129.43 55.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 142.34 -161.33 27.31 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.484 1.115 . . . . 0.0 111.006 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 351' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -146.13 162.6 37.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 0.735 . . . . 0.0 111.025 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 12.0 mt -104.05 121.08 55.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 353' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -84.51 109.88 18.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.29 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -86.03 -15.04 42.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.298 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 10.7 mm -69.47 -40.81 80.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.33 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -108.93 -15.01 14.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . 71.71 31.1 65.38 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.523 1.139 . . . . 0.0 110.998 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 358' ' ' ILE . . . . . . . . . . . . . 64.6 mt -114.46 140.6 34.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.47 0.747 . . . . 0.0 109.35 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 359' ' ' VAL . . . . . . . . . . . . . 69.3 t -83.31 121.23 35.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.336 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 360' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -88.79 110.94 21.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.612 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 361' ' ' PHE . . . . . 0.471 ' CG ' ' HA ' ' A' ' 313' ' ' SER . 10.1 m-85 -101.63 151.39 22.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.299 -179.969 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 302' ' ' ARG . . . . . . . . . . . . . 9.6 tpp85 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -58.87 -34.23 71.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 109.294 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 304' ' ' VAL . . . . . . . . . . . . . 30.1 t -72.01 -42.52 68.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 305' ' ' ILE . . . . . 0.472 HG22 ' CD1' ' A' ' 338' ' ' ILE . 1.7 mp -66.36 -40.05 85.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.252 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -66.54 -50.48 63.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.288 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 65.0 t60 -59.4 -48.36 81.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.661 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 308' ' ' ASN . . . . . 0.516 ' CB ' ' CD2' ' A' ' 328' ' ' LEU . 26.4 m-20 -54.83 -38.54 67.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.276 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 309' ' ' LEU . . . . . 0.425 ' CD1' HD21 ' A' ' 324' ' ' LEU . 1.5 tp -62.92 -39.66 95.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 109.345 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 310' ' ' LEU . . . . . . . . . . . . . 22.1 mt -74.09 -42.13 60.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 29.2 m -66.19 -40.98 90.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.014 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -64.24 -26.46 68.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 313' ' ' SER . . . . . 0.533 ' HA ' ' CD2' ' A' ' 361' ' ' PHE . 19.1 t -63.74 -31.2 72.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.028 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 314' ' ' LYS . . . . . . . . . . . . . 5.7 mtmt -107.03 36.6 2.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 12.2 mt -139.65 -63.17 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -100.16 136.86 39.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 317' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -71.76 -39.09 70.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -151.33 135.52 16.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 319' ' ' ILE . . . . . 0.47 ' O ' ' CG2' ' A' ' 359' ' ' VAL . 18.4 tt -146.49 147.16 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.337 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 320' ' ' THR . . . . . . . . . . . . . 15.2 t -91.57 161.87 14.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.416 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 321' ' ' PHE . . . . . 0.541 ' CE2' ' O ' ' A' ' 357' ' ' GLY . 22.3 m-85 -57.61 -35.11 70.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.995 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -62.78 -49.2 75.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -71.21 -47.56 56.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.309 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 324' ' ' LEU . . . . . 0.425 HD21 ' CD1' ' A' ' 309' ' ' LEU . 17.7 tp -57.21 -41.83 80.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 325' ' ' GLY . . . . . 0.511 ' O ' ' N ' ' A' ' 330' ' ' ILE . . . -74.88 -33.09 56.04 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.468 1.105 . . . . 0.0 111.037 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -70.56 -26.52 63.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 0.758 . . . . 0.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.17 -40.3 52.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 328' ' ' LEU . . . . . 0.516 ' CD2' ' CB ' ' A' ' 308' ' ' ASN . 0.1 OUTLIER -93.31 3.18 56.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.137 . . . . 0.0 109.304 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 329' ' ' GLU . . . . . 0.432 ' HB2' ' O ' ' A' ' 328' ' ' LEU . 3.3 mm-40 67.89 6.79 5.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 110.272 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 330' ' ' ILE . . . . . 0.511 ' N ' ' O ' ' A' ' 325' ' ' GLY . 11.2 pt -96.47 159.71 31.25 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.361 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 331' ' ' PRO . . . . . 0.467 ' HD2' ' CB ' ' A' ' 334' ' ' LYS . 18.2 Cg_endo -75.05 159.04 41.63 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.458 1.768 . . . . 0.0 110.987 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 332' ' ' ALA . . . . . 0.406 ' O ' ' N ' ' A' ' 336' ' ' GLU . . . -58.11 -35.44 71.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.156 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -63.29 -36.13 82.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 334' ' ' LYS . . . . . 0.467 ' CB ' ' HD2' ' A' ' 331' ' ' PRO . 0.0 OUTLIER -75.41 -48.56 22.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 335' ' ' ALA . . . . . 0.517 ' O ' ' CB ' ' A' ' 339' ' ' ALA . . . -64.51 -32.16 73.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 332' ' ' ALA . 4.7 tt0 -71.2 -47.16 59.09 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.135 . . . . 0.0 110.295 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.69 -45.88 81.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 338' ' ' ILE . . . . . 0.472 ' CD1' HG22 ' A' ' 305' ' ' ILE . 79.8 mt -65.63 -46.73 88.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 339' ' ' ALA . . . . . 0.517 ' CB ' ' O ' ' A' ' 335' ' ' ALA . . . -56.2 -45.01 79.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.355 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.41 -43.49 66.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.098 . . . . 0.0 109.98 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -60.07 -41.53 92.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.581 1.176 . . . . 0.0 110.321 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 342' ' ' MET . . . . . 0.423 ' HG3' ' CD2' ' A' ' 309' ' ' LEU . 25.9 mmm -62.85 -46.88 85.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.981 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 343' ' ' ILE . . . . . 0.409 ' CG1' ' HE3' ' A' ' 348' ' ' MET . 65.5 mt -66.33 -40.82 87.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.552 1.158 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 6.7 m -68.58 -28.86 67.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.371 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 345' ' ' GLU . . . . . 0.433 ' OE2' ' NH2' ' A' ' 347' ' ' ARG . 4.1 mt-10 -86.15 -8.12 58.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.301 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 88.49 -19.86 34.03 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 347' ' ' ARG . . . . . 0.433 ' NH2' ' OE2' ' A' ' 345' ' ' GLU . 80.1 mtt180 -45.77 -50.56 13.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 0.724 . . . . 0.0 110.297 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 348' ' ' MET . . . . . 0.409 ' HE3' ' CG1' ' A' ' 343' ' ' ILE . 37.1 ttp -106.33 151.19 25.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 111.028 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -110.37 132.0 54.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.138 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 133.56 -164.2 24.34 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.476 1.11 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 351' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -145.99 154.65 42.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 0.771 . . . . 0.0 110.98 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 11.0 mt -95.2 118.42 41.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 353' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 357' ' ' GLY . 58.8 t0 -82.34 112.22 19.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -82.94 -15.55 50.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.332 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 35.2 mt -71.78 -40.77 69.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.329 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -109.75 -14.97 14.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 357' ' ' GLY . . . . . 0.541 ' O ' ' CE2' ' A' ' 321' ' ' PHE . . . 66.53 34.01 86.35 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.502 1.126 . . . . 0.0 111.028 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 358' ' ' ILE . . . . . 0.418 HG23 ' N ' ' A' ' 359' ' ' VAL . 92.1 mt -118.07 140.33 41.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 0.775 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 359' ' ' VAL . . . . . 0.497 HG23 ' CZ ' ' A' ' 361' ' ' PHE . 31.0 m -83.53 137.81 20.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 360' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -111.86 122.06 46.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.583 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 361' ' ' PHE . . . . . 0.533 ' CD2' ' HA ' ' A' ' 313' ' ' SER . 22.7 m-85 -103.44 156.33 17.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.971 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 110.307 179.978 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 302' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -60.95 -39.83 91.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.341 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 304' ' ' VAL . . . . . . . . . . . . . 45.7 t -65.13 -46.48 90.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 305' ' ' ILE . . . . . . . . . . . . . 11.7 mt -59.9 -43.13 91.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 109.288 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -66.76 -46.29 75.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.327 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 18.2 t60 -62.65 -48.95 77.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.662 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 308' ' ' ASN . . . . . 0.429 ' HB3' ' CD2' ' A' ' 328' ' ' LEU . 2.0 m-20 -54.94 -36.88 65.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 309' ' ' LEU . . . . . 0.443 HD21 ' CD2' ' A' ' 324' ' ' LEU . 0.6 OUTLIER -64.5 -40.38 95.53 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 310' ' ' LEU . . . . . . . . . . . . . 20.0 mt -73.92 -41.91 61.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.15 -37.46 81.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.015 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -76.03 -27.77 57.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.341 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 313' ' ' SER . . . . . 0.546 ' HA ' ' CD2' ' A' ' 361' ' ' PHE . 5.2 t -68.27 -21.48 64.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.985 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 314' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.21 -9.09 24.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 2.8 mt -102.11 -79.47 0.52 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -66.24 138.27 57.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 111.013 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 317' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -79.13 -38.04 37.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -151.57 135.37 16.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.442 1.089 . . . . 0.0 109.347 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 319' ' ' ILE . . . . . 0.484 ' O ' ' CG2' ' A' ' 359' ' ' VAL . 16.0 tt -146.66 147.44 17.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.359 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 320' ' ' THR . . . . . . . . . . . . . 12.7 t -95.17 163.93 13.07 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.135 . . . . 0.0 110.402 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 321' ' ' PHE . . . . . 0.478 ' HB3' ' CB ' ' A' ' 332' ' ' ALA . 19.1 m-85 -55.86 -38.72 70.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 111.034 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -60.36 -49.35 77.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 110.285 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -71.98 -46.03 58.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 110.33 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 324' ' ' LEU . . . . . 0.443 ' CD2' HD21 ' A' ' 309' ' ' LEU . 15.5 tp -57.39 -41.44 80.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 325' ' ' GLY . . . . . 0.492 ' O ' ' N ' ' A' ' 330' ' ' ILE . . . -73.52 -32.53 59.56 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.573 1.171 . . . . 0.0 111.011 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -70.82 -26.95 63.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 0.772 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -76.03 -39.98 54.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 328' ' ' LEU . . . . . 0.429 ' CD2' ' HB3' ' A' ' 308' ' ' ASN . 0.1 OUTLIER -94.26 3.16 55.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 66.17 8.27 5.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 110.297 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 330' ' ' ILE . . . . . 0.492 ' N ' ' O ' ' A' ' 325' ' ' GLY . 7.3 pt -98.16 164.04 18.06 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 331' ' ' PRO . . . . . 0.489 ' HD2' ' HB ' ' A' ' 330' ' ' ILE . 18.3 Cg_endo -74.99 156.48 43.03 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.478 1.778 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 332' ' ' ALA . . . . . 0.502 ' O ' ' CB ' ' A' ' 336' ' ' GLU . . . -58.54 -31.7 68.18 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -65.26 -39.28 92.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.271 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 334' ' ' LYS . . . . . 0.417 ' CG ' HD12 ' A' ' 338' ' ' ILE . 5.3 tptt -74.66 -48.24 27.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 335' ' ' ALA . . . . . 0.505 ' O ' ' CB ' ' A' ' 339' ' ' ALA . . . -65.34 -30.29 71.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . 0.502 ' CB ' ' O ' ' A' ' 332' ' ' ALA . 33.0 tt0 -69.05 -47.43 65.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.571 1.169 . . . . 0.0 110.315 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 37.2 tptt -69.79 -46.17 66.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 338' ' ' ILE . . . . . 0.417 HD12 ' CG ' ' A' ' 334' ' ' LYS . 94.9 mt -61.97 -47.3 93.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.344 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 339' ' ' ALA . . . . . 0.505 ' CB ' ' O ' ' A' ' 335' ' ' ALA . . . -55.99 -44.2 78.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.52 -43.69 66.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.953 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -60.29 -38.0 82.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.288 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 342' ' ' MET . . . . . . . . . . . . . 4.1 mtp -62.66 -46.61 87.38 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 0.0 110.946 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 343' ' ' ILE . . . . . 0.406 ' CG1' ' HB3' ' A' ' 348' ' ' MET . 43.1 mt -65.84 -38.04 81.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 3.0 m -72.72 -26.84 61.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 110.422 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -80.9 -9.01 59.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 90.17 -26.74 9.41 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.469 1.106 . . . . 0.0 111.017 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 347' ' ' ARG . . . . . . . . . . . . . 53.2 mtt-85 -42.9 -55.85 3.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 0.739 . . . . 0.0 110.31 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 348' ' ' MET . . . . . 0.406 ' HB3' ' CG1' ' A' ' 343' ' ' ILE . 1.7 ttp -91.11 -175.57 4.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.969 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -153.2 129.26 10.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 136.51 -157.47 23.61 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.521 1.138 . . . . 0.0 111.006 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 351' ' ' PHE . . . . . 0.733 ' CE2' ' CG ' ' A' ' 360' ' ' HIS . 1.9 p90 -136.32 155.33 50.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 0.78 . . . . 0.0 110.956 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 3.9 mt -105.93 108.78 25.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 109.261 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 353' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 357' ' ' GLY . 3.0 t0 -71.96 111.87 7.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -84.79 -33.94 22.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 0.0 110.334 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 61.9 mt -62.13 -31.87 52.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -110.84 -15.05 13.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.424 1.078 . . . . 0.0 109.293 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 357' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 353' ' ' ASP . . . 65.95 34.14 87.66 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.456 1.098 . . . . 0.0 110.988 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 358' ' ' ILE . . . . . . . . . . . . . 15.3 mt -115.36 160.14 14.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.535 0.785 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 359' ' ' VAL . . . . . 0.564 HG22 ' CZ ' ' A' ' 361' ' ' PHE . 27.0 m -109.2 135.78 47.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.085 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 360' ' ' HIS . . . . . 0.733 ' CG ' ' CE2' ' A' ' 351' ' ' PHE . 11.8 m-70 -104.35 112.42 25.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.594 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 361' ' ' PHE . . . . . 0.564 ' CZ ' HG22 ' A' ' 359' ' ' VAL . 17.5 m-85 -96.25 150.19 20.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.343 179.989 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 302' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -62.16 -35.06 77.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 304' ' ' VAL . . . . . . . . . . . . . 40.1 t -62.98 -46.38 96.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 305' ' ' ILE . . . . . 0.466 HG22 ' CD1' ' A' ' 338' ' ' ILE . 3.3 mt -61.62 -47.22 94.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.341 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -57.78 -47.0 83.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 110.325 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 28.0 t60 -66.56 -48.81 68.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.674 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 308' ' ' ASN . . . . . 0.47 ' HB2' ' CD2' ' A' ' 328' ' ' LEU . 34.6 m-20 -55.46 -38.28 68.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 309' ' ' LEU . . . . . 0.439 ' CD2' ' HA ' ' A' ' 339' ' ' ALA . 1.1 mp -62.91 -38.2 90.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 310' ' ' LEU . . . . . . . . . . . . . 20.2 mt -74.16 -42.1 60.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.263 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 5.1 m -65.72 -45.23 83.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.979 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -67.54 -21.87 65.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.107 . . . . 0.0 109.32 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 313' ' ' SER . . . . . 0.522 ' HA ' ' CG ' ' A' ' 361' ' ' PHE . 27.8 t -74.2 -27.01 60.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.969 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 314' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.37 -7.26 22.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.593 1.183 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 1.5 mt -101.57 -79.14 0.52 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -73.51 135.73 44.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 317' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -74.15 -40.27 62.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -148.13 135.41 20.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 319' ' ' ILE . . . . . 0.477 ' O ' ' CG2' ' A' ' 359' ' ' VAL . 14.0 tt -146.61 147.62 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 320' ' ' THR . . . . . . . . . . . . . 12.6 t -94.92 166.84 11.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 110.405 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 321' ' ' PHE . . . . . 0.484 ' HB3' ' CB ' ' A' ' 332' ' ' ALA . 22.5 m-85 -58.33 -37.28 74.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 110.989 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -61.79 -50.09 73.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.293 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -72.78 -45.19 59.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.279 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 324' ' ' LEU . . . . . 0.5 ' O ' ' CD1' ' A' ' 328' ' ' LEU . 11.5 tp -57.4 -42.36 82.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.243 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 325' ' ' GLY . . . . . 0.494 ' O ' ' N ' ' A' ' 330' ' ' ILE . . . -74.96 -33.29 55.4 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.456 1.097 . . . . 0.0 111.039 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -64.3 -31.55 72.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 0.766 . . . . 0.0 109.334 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.73 -40.32 55.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 328' ' ' LEU . . . . . 0.5 ' CD1' ' O ' ' A' ' 324' ' ' LEU . 0.1 OUTLIER -87.58 10.57 17.49 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.464 1.102 . . . . 0.0 109.336 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 56.64 17.13 2.94 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 110.314 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 330' ' ' ILE . . . . . 0.494 ' N ' ' O ' ' A' ' 325' ' ' GLY . 2.2 pt -112.55 165.58 12.77 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 331' ' ' PRO . . . . . 0.492 ' HD2' ' CB ' ' A' ' 334' ' ' LYS . 18.1 Cg_endo -75.05 161.23 38.97 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.49 1.784 . . . . 0.0 110.978 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 332' ' ' ALA . . . . . 0.484 ' CB ' ' HB3' ' A' ' 321' ' ' PHE . . . -58.56 -39.15 79.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -60.01 -37.61 80.23 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.454 1.096 . . . . 0.0 109.331 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 334' ' ' LYS . . . . . 0.492 ' CB ' ' HD2' ' A' ' 331' ' ' PRO . 3.3 tptt -73.27 -47.93 38.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 335' ' ' ALA . . . . . 0.407 ' O ' ' CB ' ' A' ' 339' ' ' ALA . . . -64.82 -30.5 71.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 332' ' ' ALA . 29.0 tt0 -70.54 -44.36 67.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.303 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 35.0 tptt -68.47 -46.19 70.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 338' ' ' ILE . . . . . 0.466 ' CD1' HG22 ' A' ' 305' ' ' ILE . 85.3 mt -63.19 -47.13 93.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 339' ' ' ALA . . . . . 0.439 ' HA ' ' CD2' ' A' ' 309' ' ' LEU . . . -56.71 -42.1 78.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 340' ' ' SER . . . . . 0.42 ' N ' HD12 ' A' ' 352' ' ' ILE . 0.3 OUTLIER -71.4 -50.45 31.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.984 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.91 -35.61 75.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 110.307 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 342' ' ' MET . . . . . . . . . . . . . 18.7 mmm -62.54 -47.07 85.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 110.966 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 343' ' ' ILE . . . . . . . . . . . . . 62.8 mt -68.1 -36.87 77.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.477 1.11 . . . . 0.0 109.322 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 6.9 m -66.25 -32.86 74.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.419 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -80.07 -8.69 59.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.275 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 85.68 -12.86 58.23 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.501 1.126 . . . . 0.0 111.016 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 347' ' ' ARG . . . . . . . . . . . . . 9.9 mtp180 -53.64 -47.53 70.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 0.771 . . . . 0.0 110.304 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 33.4 ttp -106.91 147.47 29.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.989 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -110.51 132.12 54.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 137.54 -162.23 25.43 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.449 1.093 . . . . 0.0 110.987 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 351' ' ' PHE . . . . . . . . . . . . . 9.6 p90 -146.11 151.69 38.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 0.776 . . . . 0.0 110.967 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 352' ' ' ILE . . . . . 0.42 HD12 ' N ' ' A' ' 340' ' ' SER . 10.4 mt -94.99 126.97 47.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 353' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 357' ' ' GLY . 59.5 t0 -91.47 110.04 21.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -81.82 -14.81 55.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 110.335 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 24.9 mt -70.17 -42.0 79.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.245 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -110.76 -14.32 14.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 357' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 353' ' ' ASP . . . 69.14 34.12 75.2 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.514 1.134 . . . . 0.0 111.026 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 358' ' ' ILE . . . . . 0.418 HG23 ' N ' ' A' ' 359' ' ' VAL . 74.1 mt -117.76 140.41 41.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.54 0.788 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 359' ' ' VAL . . . . . 0.557 HG21 ' CZ ' ' A' ' 361' ' ' PHE . 30.7 m -81.25 136.18 23.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 360' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -108.76 111.35 23.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.645 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 361' ' ' PHE . . . . . 0.557 ' CZ ' HG21 ' A' ' 359' ' ' VAL . 21.4 m-85 -93.08 155.89 17.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.248 -179.961 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 302' ' ' ARG . . . . . 0.424 ' NH1' ' HE2' ' A' ' 334' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -71.23 -36.46 71.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 304' ' ' VAL . . . . . . . . . . . . . 47.8 t -66.47 -46.69 85.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 305' ' ' ILE . . . . . 0.451 HG23 ' CD1' ' A' ' 338' ' ' ILE . 7.6 mt -60.13 -43.37 92.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 306' ' ' GLU . . . . . 0.445 ' OE2' ' NH1' ' A' ' 347' ' ' ARG . 1.7 mt-10 -59.83 -48.54 81.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.34 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 23.5 t60 -66.72 -49.89 64.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.637 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 308' ' ' ASN . . . . . 0.48 ' HB3' ' CD2' ' A' ' 328' ' ' LEU . 3.9 m-80 -55.3 -36.75 66.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 309' ' ' LEU . . . . . 0.447 HD22 ' CD2' ' A' ' 324' ' ' LEU . 1.3 mt -65.19 -40.93 94.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.082 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 310' ' ' LEU . . . . . . . . . . . . . 20.4 mt -74.07 -42.04 60.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.273 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.51 -42.42 82.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.028 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -67.09 -22.1 65.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 313' ' ' SER . . . . . 0.524 ' HA ' ' CG ' ' A' ' 361' ' ' PHE . 28.7 t -73.94 -33.39 63.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.997 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 314' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -90.41 -8.85 49.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 4.3 mt -99.15 -77.99 0.51 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -74.94 134.97 41.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 317' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -70.62 -43.08 70.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.086 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -150.88 135.33 17.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 319' ' ' ILE . . . . . . . . . . . . . 16.4 tt -146.74 147.21 18.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 320' ' ' THR . . . . . . . . . . . . . 12.3 t -89.21 167.08 13.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.367 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 321' ' ' PHE . . . . . 0.474 ' CB ' ' CB ' ' A' ' 332' ' ' ALA . 36.3 m-85 -61.72 -35.36 77.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.956 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -62.14 -49.16 76.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.277 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -71.62 -47.0 57.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 110.29 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 324' ' ' LEU . . . . . 0.447 ' CD2' HD22 ' A' ' 309' ' ' LEU . 21.0 tp -57.2 -41.9 80.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 325' ' ' GLY . . . . . 0.488 ' O ' ' N ' ' A' ' 330' ' ' ILE . . . -73.09 -32.59 60.34 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.514 1.134 . . . . 0.0 111.028 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -68.52 -28.6 67.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 0.791 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.0 -41.83 49.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 328' ' ' LEU . . . . . 0.48 ' CD2' ' HB3' ' A' ' 308' ' ' ASN . 0.2 OUTLIER -89.34 3.27 52.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 109.312 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 64.74 10.56 6.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 330' ' ' ILE . . . . . 0.488 ' N ' ' O ' ' A' ' 325' ' ' GLY . 3.4 pt -103.56 163.14 18.03 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 331' ' ' PRO . . . . . 0.418 ' HD2' ' HB ' ' A' ' 330' ' ' ILE . 18.3 Cg_endo -74.98 158.32 42.33 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.487 1.783 . . . . 0.0 110.985 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 332' ' ' ALA . . . . . 0.474 ' CB ' ' CB ' ' A' ' 321' ' ' PHE . . . -58.53 -40.6 83.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.36 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -58.21 -35.07 71.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 334' ' ' LYS . . . . . 0.424 ' HE2' ' NH1' ' A' ' 302' ' ' ARG . 9.7 tptm -75.33 -48.01 25.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 335' ' ' ALA . . . . . 0.516 ' O ' ' CB ' ' A' ' 339' ' ' ALA . . . -63.97 -32.59 74.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 332' ' ' ALA . 12.1 tt0 -68.28 -47.28 68.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.309 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 6.1 tppt? -63.52 -45.3 91.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.348 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 338' ' ' ILE . . . . . 0.451 ' CD1' HG23 ' A' ' 305' ' ' ILE . 70.0 mt -68.83 -44.61 81.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 339' ' ' ALA . . . . . 0.516 ' CB ' ' O ' ' A' ' 335' ' ' ALA . . . -56.67 -44.86 81.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.07 -40.77 71.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.026 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -61.65 -37.86 85.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.331 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 342' ' ' MET . . . . . . . . . . . . . 8.4 mtp -62.88 -46.93 85.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 111.028 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 343' ' ' ILE . . . . . . . . . . . . . 55.0 mt -68.04 -34.27 65.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.107 . . . . 0.0 109.28 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -71.17 -31.52 67.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.434 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -83.6 -8.96 59.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.322 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 88.18 -19.98 32.15 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.514 1.134 . . . . 0.0 111.0 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 347' ' ' ARG . . . . . 0.445 ' NH1' ' OE2' ' A' ' 306' ' ' GLU . 78.2 mtt180 -44.46 -51.06 9.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 0.771 . . . . 0.0 110.338 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 29.8 ttp -103.44 151.05 23.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.974 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -113.78 132.01 56.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.267 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 134.86 -159.94 24.11 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.498 1.124 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 351' ' ' PHE . . . . . . . . . . . . . 9.6 p90 -146.14 164.74 31.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 0.733 . . . . 0.0 111.006 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 17.7 mt -104.29 125.03 59.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.336 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 353' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -88.67 110.03 20.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.125 . . . . 0.0 109.252 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -83.01 -16.45 47.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 14.4 mt -69.99 -41.67 79.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.27 -13.3 14.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 357' ' ' GLY . . . . . 0.423 ' O ' ' CE2' ' A' ' 321' ' ' PHE . . . 67.45 29.65 74.33 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.563 1.164 . . . . 0.0 111.019 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 358' ' ' ILE . . . . . . . . . . . . . 70.9 mt -112.64 145.32 18.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.499 0.764 . . . . 0.0 109.275 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 359' ' ' VAL . . . . . 0.537 HG12 ' CE1' ' A' ' 361' ' ' PHE . 71.2 t -87.72 128.56 40.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 360' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -98.06 110.96 23.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.574 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 361' ' ' PHE . . . . . 0.537 ' CE1' HG12 ' A' ' 359' ' ' VAL . 16.4 m-85 -94.11 150.21 20.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 111.017 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 110.284 -179.999 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 302' ' ' ARG . . . . . . . . . . . . . 13.8 tpp180 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -58.81 -34.02 71.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 304' ' ' VAL . . . . . . . . . . . . . 25.0 t -71.19 -43.65 74.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 305' ' ' ILE . . . . . 0.457 ' CG2' HG21 ' A' ' 338' ' ' ILE . 1.6 mp -63.76 -40.06 87.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -69.56 -50.74 41.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 110.285 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 60.8 t60 -59.16 -48.6 81.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 109.584 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 308' ' ' ASN . . . . . 0.479 ' CB ' HD21 ' A' ' 328' ' ' LEU . 99.0 m-20 -55.13 -39.88 69.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 309' ' ' LEU . . . . . 0.467 ' CD1' HD12 ' A' ' 328' ' ' LEU . 1.1 tp -62.78 -42.19 99.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 310' ' ' LEU . . . . . . . . . . . . . 18.8 mt -71.8 -35.37 69.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.92 -44.82 63.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.998 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -61.58 -27.9 68.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 313' ' ' SER . . . . . 0.563 ' HA ' ' CD1' ' A' ' 361' ' ' PHE . 43.2 t -65.11 -45.0 86.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.02 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 314' ' ' LYS . . . . . . . . . . . . . 4.8 mttp -101.58 36.67 1.98 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.256 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 9.0 mt -138.63 -62.95 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -93.5 153.23 18.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 110.982 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 317' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -88.28 -41.22 13.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -153.45 135.69 14.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 319' ' ' ILE . . . . . 0.45 ' CG2' HD11 ' A' ' 324' ' ' LEU . 17.7 tt -146.52 144.37 20.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 320' ' ' THR . . . . . . . . . . . . . 81.1 p -88.45 160.67 17.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.43 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 321' ' ' PHE . . . . . 0.442 ' CB ' ' HB3' ' A' ' 332' ' ' ALA . 52.8 m-85 -55.81 -35.01 65.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 111.016 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -66.31 -49.08 68.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 110.274 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -70.73 -43.81 68.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.34 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 324' ' ' LEU . . . . . 0.465 ' CD2' HD13 ' A' ' 328' ' ' LEU . 1.1 tt -57.15 -44.14 83.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 325' ' ' GLY . . . . . 0.493 ' O ' ' N ' ' A' ' 330' ' ' ILE . . . -68.62 -32.48 74.74 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.514 1.134 . . . . 0.0 110.996 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -71.39 -25.86 62.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 0.78 . . . . 0.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 1.2 tp -75.94 -38.25 57.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.16 . . . . 0.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 328' ' ' LEU . . . . . 0.479 HD21 ' CB ' ' A' ' 308' ' ' ASN . 0.1 OUTLIER -95.78 4.46 52.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 65.36 9.19 5.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.283 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 330' ' ' ILE . . . . . 0.493 ' N ' ' O ' ' A' ' 325' ' ' GLY . 4.0 pt -103.24 164.5 15.35 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.261 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 331' ' ' PRO . . . . . 0.456 ' HD2' ' HB ' ' A' ' 330' ' ' ILE . 18.3 Cg_endo -74.95 160.35 40.4 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.479 1.778 . . . . 0.0 111.049 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 332' ' ' ALA . . . . . 0.442 ' HB3' ' CB ' ' A' ' 321' ' ' PHE . . . -58.35 -39.34 79.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -59.39 -36.77 76.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 334' ' ' LYS . . . . . 0.527 ' O ' ' CG1' ' A' ' 338' ' ' ILE . 2.1 tptt -74.52 -48.1 29.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 335' ' ' ALA . . . . . 0.453 ' O ' ' CB ' ' A' ' 339' ' ' ALA . . . -63.21 -32.07 73.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 332' ' ' ALA . 6.5 tt0 -71.69 -47.24 55.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.286 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.78 -45.59 67.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 338' ' ' ILE . . . . . 0.527 ' CG1' ' O ' ' A' ' 334' ' ' LYS . 1.7 mm -61.27 -47.75 92.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 339' ' ' ALA . . . . . 0.453 ' CB ' ' O ' ' A' ' 335' ' ' ALA . . . -57.68 -44.32 85.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.62 -40.67 73.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.975 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.29 -41.01 96.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.32 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 342' ' ' MET . . . . . 0.463 ' HG3' ' CD2' ' A' ' 309' ' ' LEU . 46.7 mmm -63.94 -48.92 74.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 111.004 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 343' ' ' ILE . . . . . . . . . . . . . 45.8 mt -63.54 -39.57 85.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 2.2 m -66.47 -26.99 67.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.388 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -87.73 -8.91 55.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 110.297 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 90.55 -29.31 6.82 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.521 1.138 . . . . 0.0 110.996 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 347' ' ' ARG . . . . . . . . . . . . . 13.4 mtp180 -39.1 -44.2 1.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 0.758 . . . . 0.0 110.27 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 23.1 ttp -110.35 154.33 23.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.979 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -121.08 132.07 54.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.265 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 139.65 -164.8 25.97 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.535 1.147 . . . . 0.0 110.982 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 351' ' ' PHE . . . . . . . . . . . . . 26.7 p90 -146.12 164.04 33.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 0.769 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 22.5 mt -107.06 121.6 60.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 353' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -85.86 109.84 18.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -84.46 -19.87 32.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.287 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 5.7 mm -64.54 -42.22 94.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.342 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -108.01 -14.97 14.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . 70.9 33.52 65.85 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.513 1.133 . . . . 0.0 111.012 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 358' ' ' ILE . . . . . . . . . . . . . 86.1 mt -114.11 149.06 16.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 0.742 . . . . 0.0 109.321 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 359' ' ' VAL . . . . . . . . . . . . . 51.1 t -92.43 119.54 40.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 360' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -85.52 110.94 19.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.573 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 361' ' ' PHE . . . . . 0.563 ' CD1' ' HA ' ' A' ' 313' ' ' SER . 4.7 m-85 -99.84 146.57 26.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.274 -179.949 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 302' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -69.78 -44.06 70.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 304' ' ' VAL . . . . . . . . . . . . . 97.6 t -62.85 -46.37 96.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 305' ' ' ILE . . . . . 0.422 HG21 ' CD1' ' A' ' 338' ' ' ILE . 5.1 mt -65.49 -42.24 92.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.256 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -63.91 -42.71 97.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.31 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 14.5 t60 -71.19 -49.6 42.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.574 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 308' ' ' ASN . . . . . 0.473 ' CB ' HD22 ' A' ' 328' ' ' LEU . 7.1 m-80 -54.82 -34.86 63.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 109.33 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 309' ' ' LEU . . . . . 0.449 ' CD2' HD22 ' A' ' 324' ' ' LEU . 2.2 mt -67.25 -41.35 85.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 310' ' ' LEU . . . . . 0.431 ' HG ' ' CE ' ' A' ' 342' ' ' MET . 16.1 mt -73.97 -40.93 62.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.52 -40.95 76.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.583 1.177 . . . . 0.0 110.033 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 312' ' ' ALA . . . . . 0.426 ' CB ' ' O ' ' A' ' 308' ' ' ASN . . . -61.12 -31.87 71.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 313' ' ' SER . . . . . . . . . . . . . 30.6 t -61.07 -38.81 87.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.998 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 314' ' ' LYS . . . . . . . . . . . . . 34.2 mtmt -100.16 35.32 2.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.082 . . . . 0.0 109.315 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 8.8 mt -140.96 -49.08 0.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.289 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 316' ' ' TYR . . . . . 0.427 ' N ' ' CD1' ' A' ' 316' ' ' TYR . 8.9 m-85 -109.72 151.63 26.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.972 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 317' ' ' ASN . . . . . 0.404 ' O ' ' ND2' ' A' ' 318' ' ' ASN . 15.5 m-20 -84.79 -46.46 11.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 318' ' ' ASN . . . . . 0.404 ' ND2' ' O ' ' A' ' 317' ' ' ASN . 0.4 OUTLIER -149.76 135.79 18.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.137 . . . . 0.0 109.315 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 319' ' ' ILE . . . . . . . . . . . . . 19.7 tt -146.3 145.79 19.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.29 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 320' ' ' THR . . . . . . . . . . . . . 9.7 t -88.12 164.32 15.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.41 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 321' ' ' PHE . . . . . 0.467 ' HB3' ' CB ' ' A' ' 332' ' ' ALA . 52.1 m-85 -58.23 -38.45 76.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.979 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -60.44 -49.35 77.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.272 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -72.22 -43.36 64.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 110.32 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 324' ' ' LEU . . . . . 0.509 ' O ' ' CD1' ' A' ' 328' ' ' LEU . 12.3 tp -57.46 -42.46 82.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.254 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 325' ' ' GLY . . . . . 0.477 ' O ' ' N ' ' A' ' 330' ' ' ILE . . . -74.26 -32.73 57.82 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.507 1.129 . . . . 0.0 111.015 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -66.51 -30.34 70.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 0.756 . . . . 0.0 109.314 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.49 -41.47 55.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 328' ' ' LEU . . . . . 0.509 ' CD1' ' O ' ' A' ' 324' ' ' LEU . 0.1 OUTLIER -87.75 3.82 46.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 63.37 11.99 5.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 110.283 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 330' ' ' ILE . . . . . 0.477 ' N ' ' O ' ' A' ' 325' ' ' GLY . 2.0 pt -107.65 165.03 13.51 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 331' ' ' PRO . . . . . 0.439 ' HD2' ' HB ' ' A' ' 330' ' ' ILE . 18.5 Cg_endo -74.93 158.61 42.35 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.514 1.797 . . . . 0.0 111.017 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 332' ' ' ALA . . . . . 0.467 ' CB ' ' HB3' ' A' ' 321' ' ' PHE . . . -58.7 -35.57 72.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -62.27 -37.77 86.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.341 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 334' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.86 -48.2 26.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 335' ' ' ALA . . . . . 0.508 ' O ' ' CB ' ' A' ' 339' ' ' ALA . . . -63.95 -30.7 71.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -70.9 -47.23 60.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.272 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 9.0 tptt -66.44 -45.87 78.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 338' ' ' ILE . . . . . 0.441 HG22 ' CD1' ' A' ' 309' ' ' LEU . 87.1 mt -64.7 -46.72 91.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 339' ' ' ALA . . . . . 0.508 ' CB ' ' O ' ' A' ' 335' ' ' ALA . . . -56.88 -43.78 81.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.341 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.33 -43.72 66.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.016 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -59.74 -37.87 80.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.278 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 342' ' ' MET . . . . . 0.431 ' CE ' ' HG ' ' A' ' 310' ' ' LEU . 2.8 mmm -65.59 -37.64 87.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 111.024 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 343' ' ' ILE . . . . . . . . . . . . . 34.3 mt -68.14 -49.13 70.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 1.2 m -62.35 -30.56 71.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 110.356 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -79.88 -9.4 59.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 110.281 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 89.18 -27.75 7.29 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.518 1.136 . . . . 0.0 110.985 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 347' ' ' ARG . . . . . . . . . . . . . 24.0 mtt85 -38.71 -56.92 1.27 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.508 0.769 . . . . 0.0 110.279 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 348' ' ' MET . . . . . 0.43 ' HG2' ' N ' ' A' ' 349' ' ' ASN . 12.7 ttm -100.39 143.91 30.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 111.006 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 349' ' ' ASN . . . . . 0.43 ' N ' ' HG2' ' A' ' 348' ' ' MET . 1.4 t30 -113.13 131.22 55.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 142.24 -160.43 27.21 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 351' ' ' PHE . . . . . . . . . . . . . 20.3 p90 -146.11 149.21 33.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 0.745 . . . . 0.0 111.031 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 10.1 mt -94.64 117.5 38.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.37 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 353' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -80.4 110.03 15.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -82.69 -18.34 41.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 6.2 mm -67.64 -40.43 84.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -108.92 -15.02 14.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.285 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 357' ' ' GLY . . . . . 0.454 ' O ' ' CE2' ' A' ' 321' ' ' PHE . . . 68.97 33.05 73.91 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.49 1.119 . . . . 0.0 111.011 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 358' ' ' ILE . . . . . . . . . . . . . 94.8 mt -113.65 148.07 16.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 0.77 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 359' ' ' VAL . . . . . 0.446 HG13 ' CE1' ' A' ' 361' ' ' PHE . 58.0 t -92.86 133.18 34.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.337 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 360' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -108.83 110.85 22.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 109.599 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 361' ' ' PHE . . . . . 0.446 ' CE1' HG13 ' A' ' 359' ' ' VAL . 16.9 m-85 -95.16 153.83 17.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 110.979 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 110.281 -179.999 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 302' ' ' ARG . . . . . 0.402 ' NH1' ' HE3' ' A' ' 334' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.324 -0.251 . . . . 0.0 110.324 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -65.0 -35.09 80.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 304' ' ' VAL . . . . . . . . . . . . . 41.4 t -65.53 -46.44 89.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 305' ' ' ILE . . . . . 0.423 HG22 ' CD1' ' A' ' 328' ' ' LEU . 4.8 mt -65.8 -42.99 93.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 306' ' ' GLU . . . . . 0.414 ' O ' ' CE ' ' A' ' 342' ' ' MET . 10.3 mt-10 -57.76 -42.95 85.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.281 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 45.7 t60 -71.04 -42.58 69.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.586 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 308' ' ' ASN . . . . . 0.474 ' HB2' ' CD2' ' A' ' 328' ' ' LEU . 84.3 m-20 -54.98 -41.44 71.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.297 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 309' ' ' LEU . . . . . 0.477 ' CD2' ' HA ' ' A' ' 339' ' ' ALA . 1.8 mp -62.96 -37.5 87.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 310' ' ' LEU . . . . . . . . . . . . . 34.8 mt -69.61 -38.48 77.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.13 -44.9 52.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.0 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -62.03 -22.9 66.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 109.268 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 313' ' ' SER . . . . . 0.451 ' HB2' ' CD1' ' A' ' 361' ' ' PHE . 20.3 t -72.18 -44.57 62.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.012 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 314' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.72 -7.79 59.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 2.9 mt -102.13 -84.43 0.45 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.328 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -66.77 146.58 54.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 317' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -85.45 -38.92 18.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -157.45 135.77 11.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 319' ' ' ILE . . . . . 0.454 ' CD1' ' HA ' ' A' ' 324' ' ' LEU . 4.5 tt -146.51 146.66 18.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.086 . . . . 0.0 109.3 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 320' ' ' THR . . . . . . . . . . . . . 60.0 p -88.08 162.77 16.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.409 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 321' ' ' PHE . . . . . 0.465 ' CB ' ' HB3' ' A' ' 332' ' ' ALA . 51.2 m-85 -56.6 -39.18 73.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 111.008 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -61.68 -48.88 78.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.302 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -71.41 -45.12 63.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.308 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 324' ' ' LEU . . . . . 0.467 ' CD2' HD11 ' A' ' 328' ' ' LEU . 3.0 tt -57.19 -43.44 82.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 325' ' ' GLY . . . . . 0.468 ' CA ' ' O ' ' A' ' 330' ' ' ILE . . . -69.17 -32.35 72.58 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.536 1.147 . . . . 0.0 110.995 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -71.31 -26.64 62.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 0.772 . . . . 0.0 109.34 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -75.45 -38.64 59.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 109.334 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 328' ' ' LEU . . . . . 0.474 ' CD2' ' HB2' ' A' ' 308' ' ' ASN . 0.1 OUTLIER -93.49 -0.72 56.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 71.31 4.7 5.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.575 1.172 . . . . 0.0 110.297 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 330' ' ' ILE . . . . . 0.468 ' O ' ' CA ' ' A' ' 325' ' ' GLY . 4.1 pt -99.87 163.45 18.39 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 331' ' ' PRO . . . . . 0.444 ' HD2' ' HB ' ' A' ' 330' ' ' ILE . 18.5 Cg_endo -74.97 159.48 41.41 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.544 1.813 . . . . 0.0 111.041 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 332' ' ' ALA . . . . . 0.465 ' HB3' ' CB ' ' A' ' 321' ' ' PHE . . . -58.78 -34.28 71.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -63.61 -38.25 90.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 334' ' ' LYS . . . . . 0.435 ' CB ' ' HD2' ' A' ' 331' ' ' PRO . 12.7 tptt -74.59 -47.77 30.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 335' ' ' ALA . . . . . 0.403 ' O ' ' CB ' ' A' ' 339' ' ' ALA . . . -64.1 -32.72 74.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -69.04 -45.5 70.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.31 -46.01 74.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 338' ' ' ILE . . . . . . . . . . . . . 90.4 mt -63.51 -47.43 91.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.36 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 339' ' ' ALA . . . . . 0.477 ' HA ' ' CD2' ' A' ' 309' ' ' LEU . . . -56.87 -43.0 80.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.46 -46.73 59.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.941 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.81 -36.78 77.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 110.319 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 342' ' ' MET . . . . . 0.414 ' CE ' ' O ' ' A' ' 306' ' ' GLU . 28.4 mmm -62.76 -49.01 76.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 111.04 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 343' ' ' ILE . . . . . 0.472 HD11 ' CE ' ' A' ' 348' ' ' MET . 69.2 mt -68.15 -32.96 58.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 1.1 m -69.6 -31.61 69.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.395 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -86.79 -9.02 56.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 0.0 110.309 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 89.09 -22.6 21.9 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.507 1.13 . . . . 0.0 111.028 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 347' ' ' ARG . . . . . . . . . . . . . 79.3 mtt-85 -42.95 -37.59 1.93 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 0.781 . . . . 0.0 110.309 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 348' ' ' MET . . . . . 0.472 ' CE ' HD11 ' A' ' 343' ' ' ILE . 41.1 ttp -118.83 143.68 46.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.957 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -106.14 132.95 51.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 133.38 -165.72 24.01 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.519 1.137 . . . . 0.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 351' ' ' PHE . . . . . . . . . . . . . 23.9 p90 -146.08 162.61 37.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 0.751 . . . . 0.0 111.026 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 29.7 mt -101.03 117.84 46.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 353' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -80.83 109.8 15.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.128 . . . . 0.0 109.323 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -87.71 -15.73 36.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.308 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 14.3 mt -69.54 -39.31 78.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -108.67 -14.58 14.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . 71.2 31.42 66.34 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.495 1.122 . . . . 0.0 111.046 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 358' ' ' ILE . . . . . . . . . . . . . 27.9 mt -115.92 147.89 19.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.476 0.751 . . . . 0.0 109.249 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 359' ' ' VAL . . . . . . . . . . . . . 53.5 t -89.56 125.36 42.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.546 1.154 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 360' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -93.13 110.97 22.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.622 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 361' ' ' PHE . . . . . 0.451 ' CD1' ' HB2' ' A' ' 313' ' ' SER . 9.3 m-85 -97.6 151.97 19.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 111.029 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 362' ' ' GLU . . . . . 0.408 ' OE1' ' CA ' ' A' ' 362' ' ' GLU . 4.1 tp10 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 302' ' ' ARG . . . . . 0.467 ' CZ ' HG12 ' A' ' 338' ' ' ILE . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.31 -0.255 . . . . 0.0 110.31 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -59.0 -33.6 70.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 304' ' ' VAL . . . . . . . . . . . . . 46.1 t -69.79 -45.63 76.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 305' ' ' ILE . . . . . 0.477 ' CD1' ' N ' ' A' ' 305' ' ' ILE . 1.4 mp -59.51 -40.08 80.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -69.68 -48.4 59.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.283 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -58.94 -49.19 78.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.143 . . . . 0.0 109.607 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 308' ' ' ASN . . . . . 0.494 ' HB3' ' CD2' ' A' ' 328' ' ' LEU . 0.7 OUTLIER -54.91 -40.32 69.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.267 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 309' ' ' LEU . . . . . 0.467 ' CD1' HG22 ' A' ' 338' ' ' ILE . 0.4 OUTLIER -62.65 -35.79 80.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 310' ' ' LEU . . . . . . . . . . . . . 49.6 mt -72.17 -38.08 69.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 52.7 m -74.12 -42.83 59.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.983 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -59.8 -22.54 62.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 313' ' ' SER . . . . . 0.469 ' HA ' ' CD1' ' A' ' 361' ' ' PHE . 4.5 p -70.26 -35.17 73.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 110.025 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 314' ' ' LYS . . . . . . . . . . . . . 12.6 mtmm -107.25 35.14 3.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 11.1 mt -137.17 -75.61 0.41 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -80.82 149.84 29.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 111.007 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 317' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -82.27 -43.39 17.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.272 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -155.36 135.9 13.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.338 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 319' ' ' ILE . . . . . 0.441 ' CD1' ' HA ' ' A' ' 324' ' ' LEU . 3.4 tt -146.3 145.58 19.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 320' ' ' THR . . . . . . . . . . . . . 12.6 t -88.48 162.42 16.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.365 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 321' ' ' PHE . . . . . 0.473 ' HB3' ' CB ' ' A' ' 332' ' ' ALA . 63.7 m-85 -56.52 -39.27 73.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.975 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -61.53 -47.14 86.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -71.96 -47.21 53.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.329 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 324' ' ' LEU . . . . . 0.53 ' CD2' ' CD1' ' A' ' 328' ' ' LEU . 4.5 tt -57.13 -42.79 81.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 325' ' ' GLY . . . . . 0.499 ' O ' ' N ' ' A' ' 330' ' ' ILE . . . -70.94 -32.68 66.1 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.465 1.103 . . . . 0.0 111.004 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -70.66 -26.12 63.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 0.754 . . . . 0.0 109.295 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.82 -39.13 57.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.258 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 328' ' ' LEU . . . . . 0.53 ' CD1' ' CD2' ' A' ' 324' ' ' LEU . 0.1 OUTLIER -94.84 4.33 53.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 65.61 8.95 5.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.278 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 330' ' ' ILE . . . . . 0.499 ' N ' ' O ' ' A' ' 325' ' ' GLY . 4.9 pt -101.17 162.62 19.97 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 331' ' ' PRO . . . . . 0.485 ' HD2' ' CB ' ' A' ' 334' ' ' LYS . 18.3 Cg_endo -75.04 161.38 38.75 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.464 1.771 . . . . 0.0 110.946 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 332' ' ' ALA . . . . . 0.473 ' CB ' ' HB3' ' A' ' 321' ' ' PHE . . . -58.53 -42.39 87.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -57.54 -34.5 69.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 334' ' ' LYS . . . . . 0.485 ' CB ' ' HD2' ' A' ' 331' ' ' PRO . 9.8 tptm -75.25 -48.82 21.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 335' ' ' ALA . . . . . 0.543 ' O ' ' CB ' ' A' ' 339' ' ' ALA . . . -63.48 -34.88 78.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . 0.442 ' HB2' ' CD1' ' A' ' 321' ' ' PHE . 3.5 tt0 -71.78 -47.35 54.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 0.0 110.296 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 25.7 tttp -66.5 -46.36 76.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.287 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 338' ' ' ILE . . . . . 0.467 HG12 ' CZ ' ' A' ' 302' ' ' ARG . 61.2 mt -64.61 -46.74 91.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.135 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 339' ' ' ALA . . . . . 0.543 ' CB ' ' O ' ' A' ' 335' ' ' ALA . . . -55.75 -42.54 75.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.48 -40.82 70.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 109.954 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -39.53 93.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.303 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 342' ' ' MET . . . . . . . . . . . . . 9.7 mtp -62.7 -45.97 90.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.979 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 343' ' ' ILE . . . . . . . . . . . . . 40.2 mt -66.94 -37.26 79.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 6.9 m -67.55 -27.0 66.58 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.493 1.12 . . . . 0.0 110.427 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -88.79 -9.42 51.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.095 . . . . 0.0 110.304 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 88.96 -27.56 7.28 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.496 1.123 . . . . 0.0 110.959 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 347' ' ' ARG . . . . . . . . . . . . . 74.4 mtt-85 -38.75 -37.49 0.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 0.762 . . . . 0.0 110.32 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 6.1 ttp -110.42 176.37 5.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.965 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -143.52 130.38 20.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 133.42 -158.13 23.06 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.514 1.134 . . . . 0.0 110.971 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 351' ' ' PHE . . . . . . . . . . . . . 19.3 p90 -146.12 165.1 30.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 0.736 . . . . 0.0 111.026 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 8.6 mt -106.89 115.35 48.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 353' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -76.53 110.29 10.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -89.63 -12.22 40.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 110.292 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 57.9 mt -73.19 -39.54 56.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 109.322 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -110.28 -14.81 14.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . 73.25 29.62 64.04 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.546 1.153 . . . . 0.0 110.953 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 358' ' ' ILE . . . . . . . . . . . . . 49.5 mt -110.9 142.39 23.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.497 0.763 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 359' ' ' VAL . . . . . . . . . . . . . 82.4 t -85.74 123.67 39.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 360' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -90.96 110.76 22.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.598 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 361' ' ' PHE . . . . . 0.469 ' CD1' ' HA ' ' A' ' 313' ' ' SER . 12.3 m-85 -99.44 150.81 21.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 111.038 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.291 -179.969 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 302' ' ' ARG . . . . . . . . . . . . . 2.5 tpp180 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -69.69 -35.77 75.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 304' ' ' VAL . . . . . 0.412 HG13 ' ND2' ' A' ' 308' ' ' ASN . 10.4 t -72.24 -46.81 56.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 305' ' ' ILE . . . . . . . . . . . . . 7.1 mt -59.61 -40.46 82.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 306' ' ' GLU . . . . . 0.47 ' CB ' ' HE3' ' A' ' 342' ' ' MET . 12.1 mt-10 -58.83 -48.8 80.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.35 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 24.7 t60 -71.44 -44.57 64.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.625 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 308' ' ' ASN . . . . . 0.445 ' HB2' ' CD2' ' A' ' 328' ' ' LEU . 19.4 m-20 -54.01 -32.76 55.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.337 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 309' ' ' LEU . . . . . 0.467 ' CD2' ' HA ' ' A' ' 339' ' ' ALA . 1.8 tp -70.06 -49.02 55.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.276 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 310' ' ' LEU . . . . . 0.537 ' CD2' ' HE1' ' A' ' 342' ' ' MET . 0.2 OUTLIER -64.1 -45.04 90.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 13.0 m -59.46 -41.66 90.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 109.956 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -66.07 -21.94 66.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 109.291 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 313' ' ' SER . . . . . 0.468 ' HA ' ' CG ' ' A' ' 361' ' ' PHE . 1.4 p -68.44 -32.92 73.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.064 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 314' ' ' LYS . . . . . . . . . . . . . 5.9 mttp -108.01 33.59 4.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 7.4 mt -137.74 -66.09 0.51 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.357 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -93.86 117.12 29.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 111.006 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 317' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -50.22 -38.16 38.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -161.86 136.42 6.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 319' ' ' ILE . . . . . . . . . . . . . 19.8 tt -145.15 142.82 22.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 320' ' ' THR . . . . . . . . . . . . . 29.2 p -80.99 165.74 21.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 110.418 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 321' ' ' PHE . . . . . 0.46 ' HB3' ' CB ' ' A' ' 332' ' ' ALA . 69.7 m-85 -62.14 -32.27 72.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 111.002 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -64.81 -49.33 71.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.331 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -72.2 -45.64 59.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.284 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 324' ' ' LEU . . . . . 0.495 ' O ' ' CD1' ' A' ' 328' ' ' LEU . 18.2 tp -57.32 -41.77 80.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 325' ' ' GLY . . . . . 0.499 ' O ' ' N ' ' A' ' 330' ' ' ILE . . . -74.52 -32.9 57.1 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.509 1.13 . . . . 0.0 110.978 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -68.89 -27.55 65.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 0.748 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.9 -41.45 51.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.259 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 328' ' ' LEU . . . . . 0.495 ' CD1' ' O ' ' A' ' 324' ' ' LEU . 0.0 OUTLIER -90.45 4.11 51.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 65.47 9.4 5.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.59 1.181 . . . . 0.0 110.314 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 330' ' ' ILE . . . . . 0.499 ' N ' ' O ' ' A' ' 325' ' ' GLY . 5.8 pt -101.82 161.85 22.19 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 331' ' ' PRO . . . . . 0.417 ' HD2' ' HB ' ' A' ' 330' ' ' ILE . 18.3 Cg_endo -75.01 158.4 42.17 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.469 1.773 . . . . 0.0 111.045 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 332' ' ' ALA . . . . . 0.46 ' CB ' ' HB3' ' A' ' 321' ' ' PHE . . . -58.76 -36.57 74.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -60.72 -43.11 98.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 334' ' ' LYS . . . . . 0.523 ' O ' ' CG1' ' A' ' 338' ' ' ILE . 0.3 OUTLIER -70.26 -47.66 60.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.337 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 335' ' ' ALA . . . . . . . . . . . . . . . -63.22 -30.87 71.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 332' ' ' ALA . 11.9 tt0 -71.31 -47.26 57.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.318 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 21.3 mmmt -69.47 -45.4 69.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 338' ' ' ILE . . . . . 0.523 ' CG1' ' O ' ' A' ' 334' ' ' LYS . 1.6 mm -59.23 -47.83 89.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 109.246 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 339' ' ' ALA . . . . . 0.467 ' HA ' ' CD2' ' A' ' 309' ' ' LEU . . . -59.62 -45.53 91.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.83 -43.14 89.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 109.97 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -35.98 80.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.273 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 342' ' ' MET . . . . . 0.537 ' HE1' ' CD2' ' A' ' 310' ' ' LEU . 2.8 mtp -64.31 -44.35 91.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 111.05 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 343' ' ' ILE . . . . . . . . . . . . . 23.3 mt -67.41 -47.25 81.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 8.8 m -58.01 -37.81 75.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.382 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -79.67 -7.42 58.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.311 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 83.88 -11.63 56.25 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 347' ' ' ARG . . . . . . . . . . . . . 8.7 mmt180 -50.03 -41.85 48.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 0.788 . . . . 0.0 110.299 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 348' ' ' MET . . . . . 0.448 ' HG2' ' N ' ' A' ' 349' ' ' ASN . 8.8 ttm -115.62 141.57 47.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 111.034 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 349' ' ' ASN . . . . . 0.448 ' N ' ' HG2' ' A' ' 348' ' ' MET . 0.7 OUTLIER -102.41 130.37 49.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 134.62 -160.23 24.16 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.115 . . . . 0.0 111.007 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 351' ' ' PHE . . . . . . . . . . . . . 14.3 p90 -146.2 163.15 36.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 0.778 . . . . 0.0 111.02 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 10.4 mt -105.0 130.73 55.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 353' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -92.85 110.45 21.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.09 . . . . 0.0 109.317 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -88.97 -17.17 30.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 33.0 mm -70.44 -39.11 75.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -107.24 -11.21 15.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . 68.22 29.75 73.4 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.491 1.119 . . . . 0.0 111.016 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 358' ' ' ILE . . . . . . . . . . . . . 6.7 mm -113.99 149.78 16.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.559 0.799 . . . . 0.0 109.233 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 359' ' ' VAL . . . . . . . . . . . . . 56.5 t -94.75 120.21 43.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 360' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -86.9 111.32 20.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.603 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 361' ' ' PHE . . . . . 0.468 ' CG ' ' HA ' ' A' ' 313' ' ' SER . 8.8 m-85 -103.11 150.81 23.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 111.004 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 110.312 -179.994 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 302' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -62.58 -41.82 99.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 304' ' ' VAL . . . . . . . . . . . . . 40.7 t -62.81 -46.26 96.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 305' ' ' ILE . . . . . . . . . . . . . 23.1 mt -59.78 -40.94 83.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.279 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -67.45 -47.32 70.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 110.28 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 15.4 t60 -61.82 -49.7 75.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 109.61 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 308' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -55.1 -37.42 66.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 309' ' ' LEU . . . . . 0.472 ' CD2' HD22 ' A' ' 324' ' ' LEU . 0.5 OUTLIER -64.24 -41.17 97.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 310' ' ' LEU . . . . . 0.409 ' CD2' ' O ' ' A' ' 347' ' ' ARG . 23.4 mt -74.22 -42.06 60.37 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.16 -44.97 82.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 110.02 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -67.18 -23.12 65.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.334 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 313' ' ' SER . . . . . 0.56 ' HA ' ' CD2' ' A' ' 361' ' ' PHE . 2.8 t -74.17 -30.73 62.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.956 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 314' ' ' LYS . . . . . . . . . . . . . 15.4 mttt -93.1 -6.58 47.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 10.5 mt -98.15 -87.92 0.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -65.03 165.45 11.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 317' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -98.32 -44.66 6.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.248 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -144.51 135.34 24.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.254 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 319' ' ' ILE . . . . . 0.489 HG22 ' CG2' ' A' ' 359' ' ' VAL . 6.4 tt -146.56 143.33 20.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 320' ' ' THR . . . . . . . . . . . . . 5.6 t -85.65 161.97 19.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.343 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 321' ' ' PHE . . . . . 0.58 ' CE2' ' O ' ' A' ' 357' ' ' GLY . 15.5 m-85 -56.92 -38.87 73.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.59 1.182 . . . . 0.0 111.044 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -60.31 -45.68 92.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.34 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -71.97 -46.47 57.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.311 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 324' ' ' LEU . . . . . 0.496 ' O ' ' CD1' ' A' ' 328' ' ' LEU . 0.5 OUTLIER -56.97 -44.23 82.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 325' ' ' GLY . . . . . 0.456 ' CA ' ' O ' ' A' ' 330' ' ' ILE . . . -71.72 -31.96 64.56 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.57 1.168 . . . . 0.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -70.49 -25.99 63.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 0.789 . . . . 0.0 109.265 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 1.2 tp -75.4 -42.38 53.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.338 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 328' ' ' LEU . . . . . 0.496 ' CD1' ' O ' ' A' ' 324' ' ' LEU . 0.1 OUTLIER -90.76 -2.84 57.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.343 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 329' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 325' ' ' GLY . 5.3 mt-10 76.28 -0.67 3.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 110.269 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 330' ' ' ILE . . . . . 0.456 ' O ' ' CA ' ' A' ' 325' ' ' GLY . 7.0 pt -90.92 163.18 30.7 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 109.333 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 331' ' ' PRO . . . . . 0.451 ' HD2' ' HB ' ' A' ' 330' ' ' ILE . 18.3 Cg_endo -75.05 157.46 42.56 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.486 1.782 . . . . 0.0 110.98 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 332' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' A' ' 336' ' ' GLU . . . -58.53 -32.39 68.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 109.341 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -63.22 -39.2 93.95 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 334' ' ' LYS . . . . . 0.402 ' O ' HG13 ' A' ' 338' ' ' ILE . 0.0 OUTLIER -75.24 -48.04 25.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 335' ' ' ALA . . . . . 0.511 ' O ' ' CB ' ' A' ' 339' ' ' ALA . . . -63.97 -30.87 71.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 332' ' ' ALA . 6.2 tt0 -70.45 -46.99 62.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 110.336 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 15.0 mttt -68.26 -45.78 72.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.257 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 338' ' ' ILE . . . . . 0.413 ' O ' ' CG ' ' A' ' 342' ' ' MET . 83.9 mt -63.7 -47.29 91.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 339' ' ' ALA . . . . . 0.511 ' CB ' ' O ' ' A' ' 335' ' ' ALA . . . -56.63 -43.88 80.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.33 -45.19 63.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.982 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -61.83 -37.88 86.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 110.317 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 342' ' ' MET . . . . . 0.413 ' CG ' ' O ' ' A' ' 338' ' ' ILE . 17.5 mmm -62.81 -44.2 96.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 111.041 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 343' ' ' ILE . . . . . 0.454 ' CG1' ' HB3' ' A' ' 348' ' ' MET . 59.8 mt -66.86 -37.03 78.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 3.9 m -70.55 -27.45 64.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.385 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -84.51 -9.12 58.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.238 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 90.86 -30.74 5.98 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 347' ' ' ARG . . . . . 0.409 ' O ' ' CD2' ' A' ' 310' ' ' LEU . 5.8 mtt85 -38.78 -44.75 1.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 0.747 . . . . 0.0 110.26 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 348' ' ' MET . . . . . 0.454 ' HB3' ' CG1' ' A' ' 343' ' ' ILE . 0.8 OUTLIER -103.54 176.08 5.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 111.009 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -143.5 128.41 18.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 136.55 -160.21 24.71 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.445 1.09 . . . . 0.0 111.009 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 351' ' ' PHE . . . . . . . . . . . . . 13.1 p90 -145.98 153.18 40.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 0.763 . . . . 0.0 110.984 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 37.1 mt -95.99 121.12 46.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 353' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 357' ' ' GLY . 55.5 t0 -88.03 113.37 23.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -81.64 -14.15 57.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.33 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 62.0 mt -70.1 -42.66 79.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.26 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -110.39 -14.95 14.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 357' ' ' GLY . . . . . 0.58 ' O ' ' CE2' ' A' ' 321' ' ' PHE . . . 68.13 33.88 79.73 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.502 1.126 . . . . 0.0 111.042 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 358' ' ' ILE . . . . . 0.425 HG21 ' N ' ' A' ' 359' ' ' VAL . 52.6 mt -118.04 143.9 27.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 359' ' ' VAL . . . . . 0.489 ' CG2' HG22 ' A' ' 319' ' ' ILE . 18.8 m -82.83 140.24 16.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 360' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -109.49 110.86 22.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.601 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 361' ' ' PHE . . . . . 0.56 ' CD2' ' HA ' ' A' ' 313' ' ' SER . 11.7 m-85 -96.91 151.64 19.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.98 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.293 179.968 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 302' ' ' ARG . . . . . 0.408 ' NH1' HG12 ' A' ' 338' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.305 -0.258 . . . . 0.0 110.305 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -60.15 -33.83 72.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 109.263 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 304' ' ' VAL . . . . . 0.418 HG12 ' ND2' ' A' ' 308' ' ' ASN . 41.5 t -71.0 -46.42 67.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 305' ' ' ILE . . . . . 0.401 HG23 ' CD1' ' A' ' 338' ' ' ILE . 4.7 mt -61.98 -44.69 99.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -59.67 -47.82 84.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.288 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 36.7 t60 -69.29 -43.25 74.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.558 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 308' ' ' ASN . . . . . 0.478 ' HB3' ' CD2' ' A' ' 328' ' ' LEU . 5.0 m-20 -54.56 -38.75 67.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 309' ' ' LEU . . . . . 0.479 ' CD1' HG21 ' A' ' 338' ' ' ILE . 0.7 OUTLIER -64.06 -50.17 69.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 310' ' ' LEU . . . . . 0.471 HD21 ' CE ' ' A' ' 342' ' ' MET . 0.2 OUTLIER -60.96 -45.3 95.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 311' ' ' SER . . . . . 0.452 ' HA ' ' CE ' ' A' ' 314' ' ' LYS . 0.1 OUTLIER -60.22 -39.31 86.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.007 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -68.45 -21.64 64.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 313' ' ' SER . . . . . 0.418 ' HA ' ' CD1' ' A' ' 361' ' ' PHE . 2.7 t -59.56 -44.87 93.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 109.975 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 314' ' ' LYS . . . . . 0.452 ' CE ' ' HA ' ' A' ' 311' ' ' SER . 0.0 OUTLIER -89.59 -34.55 16.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.267 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 315' ' ' LEU . . . . . 0.413 ' N ' ' HG2' ' A' ' 314' ' ' LYS . 4.1 mt -69.62 -78.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -79.2 121.48 25.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 317' ' ' ASN . . . . . 0.445 ' O ' ' ND2' ' A' ' 318' ' ' ASN . 2.6 m120 -62.75 -40.51 97.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 318' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 317' ' ' ASN . 0.4 OUTLIER -158.71 135.72 9.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 319' ' ' ILE . . . . . 0.427 ' CG1' ' HB2' ' A' ' 323' ' ' GLU . 16.7 tt -146.47 146.87 18.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 320' ' ' THR . . . . . . . . . . . . . 8.9 t -87.36 166.04 15.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 110.403 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 321' ' ' PHE . . . . . 0.41 ' HB3' ' CB ' ' A' ' 332' ' ' ALA . 39.4 m-85 -58.28 -38.24 76.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 111.02 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -62.33 -49.21 76.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.295 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 323' ' ' GLU . . . . . 0.427 ' HB2' ' CG1' ' A' ' 319' ' ' ILE . 10.9 mm-40 -71.29 -46.01 61.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.101 . . . . 0.0 110.307 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 324' ' ' LEU . . . . . 0.472 ' CD2' HD21 ' A' ' 309' ' ' LEU . 38.0 tp -57.4 -42.18 81.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 109.26 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 325' ' ' GLY . . . . . 0.493 ' CA ' ' O ' ' A' ' 330' ' ' ILE . . . -67.72 -32.4 78.02 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -71.98 -26.32 62.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 0.769 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.95 -38.22 57.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 328' ' ' LEU . . . . . 0.478 ' CD2' ' HB3' ' A' ' 308' ' ' ASN . 0.1 OUTLIER -95.45 3.47 54.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 65.23 9.67 5.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.253 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 330' ' ' ILE . . . . . 0.493 ' O ' ' CA ' ' A' ' 325' ' ' GLY . 3.3 pt -104.35 164.3 15.54 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 331' ' ' PRO . . . . . 0.477 ' HD2' ' CB ' ' A' ' 334' ' ' LYS . 18.3 Cg_endo -75.04 160.62 39.81 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.519 1.8 . . . . 0.0 110.983 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 332' ' ' ALA . . . . . 0.41 ' CB ' ' HB3' ' A' ' 321' ' ' PHE . . . -58.28 -41.03 83.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.26 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -58.47 -35.21 71.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 334' ' ' LYS . . . . . 0.477 ' CB ' ' HD2' ' A' ' 331' ' ' PRO . 2.6 tptt -75.37 -48.42 23.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 335' ' ' ALA . . . . . 0.508 ' O ' ' CB ' ' A' ' 339' ' ' ALA . . . -63.66 -30.51 71.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.102 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 332' ' ' ALA . 8.9 tt0 -71.07 -47.25 59.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 110.276 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 11.9 mtmt -67.27 -45.77 75.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 338' ' ' ILE . . . . . 0.479 HG21 ' CD1' ' A' ' 309' ' ' LEU . 72.8 mt -64.12 -47.03 91.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 339' ' ' ALA . . . . . 0.508 ' CB ' ' O ' ' A' ' 335' ' ' ALA . . . -56.81 -45.33 82.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.58 -43.86 71.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 110.008 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -60.02 -36.45 77.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.3 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 342' ' ' MET . . . . . 0.471 ' CE ' HD21 ' A' ' 310' ' ' LEU . 9.3 mtp -63.07 -49.04 76.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 111.002 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 343' ' ' ILE . . . . . 0.457 HG13 ' CE ' ' A' ' 348' ' ' MET . 75.0 mt -68.15 -36.53 75.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 11.9 m -65.99 -34.31 77.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.38 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -80.47 -3.82 51.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.313 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 75.25 2.12 66.18 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.497 1.123 . . . . 0.0 110.977 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 347' ' ' ARG . . . . . . . . . . . . . 60.5 mtt180 -69.94 -27.45 64.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 0.755 . . . . 0.0 110.366 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 348' ' ' MET . . . . . 0.457 ' CE ' HG13 ' A' ' 343' ' ' ILE . 35.4 ttp -122.38 164.66 17.6 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 111.023 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -126.51 132.31 51.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.086 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 136.67 -169.53 23.79 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.462 1.101 . . . . 0.0 110.984 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 351' ' ' PHE . . . . . . . . . . . . . 33.6 p90 -143.99 155.46 44.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 0.754 . . . . 0.0 110.987 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 18.6 mt -98.76 120.92 48.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 353' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -83.27 109.91 17.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.143 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -84.73 -18.33 35.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 18.9 mt -67.65 -40.07 83.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -109.33 -14.98 14.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 357' ' ' GLY . . . . . 0.405 ' O ' ' CE2' ' A' ' 321' ' ' PHE . . . 71.01 26.87 73.13 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.525 1.141 . . . . 0.0 111.019 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 358' ' ' ILE . . . . . . . . . . . . . 76.4 mt -107.68 144.37 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 0.772 . . . . 0.0 109.298 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 359' ' ' VAL . . . . . . . . . . . . . 48.4 t -89.67 118.04 34.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 360' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -87.43 110.91 20.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.537 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 361' ' ' PHE . . . . . 0.418 ' CD1' ' HA ' ' A' ' 313' ' ' SER . 8.3 m-85 -97.96 148.94 22.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 111.047 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 110.316 -179.973 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 302' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -63.13 -32.88 74.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 304' ' ' VAL . . . . . . . . . . . . . 51.8 t -71.05 -46.46 66.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 305' ' ' ILE . . . . . . . . . . . . . 7.3 mt -61.54 -43.27 96.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -57.83 -49.19 77.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.308 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 28.6 t60 -67.8 -45.96 73.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.643 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 308' ' ' ASN . . . . . 0.474 ' HB2' ' CD2' ' A' ' 328' ' ' LEU . 68.2 m-20 -55.3 -39.06 69.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 309' ' ' LEU . . . . . 0.459 ' CD2' ' HA ' ' A' ' 339' ' ' ALA . 1.1 tp -62.88 -39.42 94.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 310' ' ' LEU . . . . . . . . . . . . . 23.5 mt -73.88 -39.77 63.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 109.318 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 39.6 m -68.02 -44.87 75.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.989 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -64.84 -22.38 66.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 313' ' ' SER . . . . . 0.472 ' HA ' ' CG ' ' A' ' 361' ' ' PHE . 2.6 p -72.94 -41.04 64.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.023 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 314' ' ' LYS . . . . . . . . . . . . . 22.5 mttt -83.47 -12.23 56.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 1.5 mt -97.27 -84.09 0.38 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -69.1 128.36 36.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 110.975 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 317' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -68.77 -39.15 80.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -151.43 135.43 16.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 319' ' ' ILE . . . . . . . . . . . . . 20.0 tt -146.72 147.3 17.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 320' ' ' THR . . . . . . . . . . . . . 24.4 p -88.86 161.69 16.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.386 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 321' ' ' PHE . . . . . 0.405 ' HB3' ' CB ' ' A' ' 332' ' ' ALA . 33.5 m-85 -55.79 -38.58 70.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 111.033 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -61.77 -49.23 77.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.347 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -71.6 -44.11 65.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.303 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 324' ' ' LEU . . . . . 0.515 ' O ' ' CD1' ' A' ' 328' ' ' LEU . 15.8 tp -57.31 -42.75 82.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 325' ' ' GLY . . . . . 0.486 ' O ' ' N ' ' A' ' 330' ' ' ILE . . . -74.69 -33.0 56.62 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.52 1.138 . . . . 0.0 110.975 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -67.9 -28.57 67.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 0.782 . . . . 0.0 109.328 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.76 -41.97 51.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 328' ' ' LEU . . . . . 0.515 ' CD1' ' O ' ' A' ' 324' ' ' LEU . 0.1 OUTLIER -88.81 3.65 50.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 65.41 9.29 5.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 330' ' ' ILE . . . . . 0.486 ' N ' ' O ' ' A' ' 325' ' ' GLY . 3.8 pt -102.89 163.11 18.21 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 331' ' ' PRO . . . . . 0.428 ' HD2' ' HB ' ' A' ' 330' ' ' ILE . 18.6 Cg_endo -74.98 156.83 43.09 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.464 1.77 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 332' ' ' ALA . . . . . 0.422 ' O ' ' CB ' ' A' ' 336' ' ' GLU . . . -58.47 -33.23 69.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -63.63 -39.13 93.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 334' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -75.16 -47.82 26.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 335' ' ' ALA . . . . . 0.497 ' O ' ' CB ' ' A' ' 339' ' ' ALA . . . -64.24 -30.71 71.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . 0.422 ' CB ' ' O ' ' A' ' 332' ' ' ALA . 7.5 tt0 -70.88 -47.0 61.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 9.3 tppt? -66.66 -45.77 77.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.353 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 338' ' ' ILE . . . . . . . . . . . . . 90.1 mt -64.64 -47.33 89.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 339' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 335' ' ' ALA . . . -56.81 -42.89 80.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 109.268 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -71.21 -47.51 56.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 110.0 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -59.66 -38.6 81.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 110.287 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 342' ' ' MET . . . . . 0.406 ' HG3' ' CD2' ' A' ' 309' ' ' LEU . 29.0 mmm -62.84 -42.29 99.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 110.993 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 343' ' ' ILE . . . . . 0.474 HD11 ' CE ' ' A' ' 348' ' ' MET . 35.5 mt -67.73 -37.44 78.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 1.4 m -72.17 -27.01 62.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.42 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -83.24 -8.94 59.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.288 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 89.94 -30.02 6.09 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.48 1.112 . . . . 0.0 110.983 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 347' ' ' ARG . . . . . . . . . . . . . 16.2 mtt85 -39.27 -52.66 1.98 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 0.782 . . . . 0.0 110.264 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 348' ' ' MET . . . . . 0.474 ' CE ' HD11 ' A' ' 343' ' ' ILE . 1.8 ttp -85.48 174.54 9.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.971 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -145.32 114.38 6.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.579 1.175 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 142.22 -155.03 25.39 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.532 1.145 . . . . 0.0 111.041 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 351' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -146.16 162.85 37.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 0.767 . . . . 0.0 110.996 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 12.0 mt -104.14 114.08 42.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.351 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 353' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 357' ' ' GLY . 64.7 t0 -76.59 110.08 10.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -83.18 -19.11 37.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 110.298 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 13.2 mt -66.86 -41.7 88.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -110.16 -14.48 14.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 357' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 353' ' ' ASP . . . 69.42 33.86 73.27 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.467 1.104 . . . . 0.0 110.977 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 358' ' ' ILE . . . . . . . . . . . . . 12.3 mt -111.54 147.3 15.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.456 0.739 . . . . 0.0 109.312 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 359' ' ' VAL . . . . . 0.512 HG12 ' CZ ' ' A' ' 361' ' ' PHE . 62.0 t -88.38 119.55 35.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 360' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -91.99 110.77 22.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.618 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 361' ' ' PHE . . . . . 0.512 ' CZ ' HG12 ' A' ' 359' ' ' VAL . 12.9 m-85 -97.99 146.05 25.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 110.288 -179.988 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 302' ' ' ARG . . . . . . . . . . . . . 4.0 ttt-85 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.31 -0.255 . . . . 0.0 110.31 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -68.79 -33.35 73.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 304' ' ' VAL . . . . . . . . . . . . . 17.5 t -69.27 -46.18 77.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 305' ' ' ILE . . . . . . . . . . . . . 13.6 mt -59.82 -39.94 81.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 306' ' ' GLU . . . . . 0.434 ' OE1' ' CD ' ' A' ' 347' ' ' ARG . 2.1 mt-10 -63.49 -45.99 88.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 12.7 t60 -67.91 -45.78 73.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.127 . . . . 0.0 109.585 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 308' ' ' ASN . . . . . 0.501 ' HB3' ' CD2' ' A' ' 328' ' ' LEU . 0.6 OUTLIER -56.18 -43.86 78.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 309' ' ' LEU . . . . . 0.42 ' CD1' HD21 ' A' ' 324' ' ' LEU . 0.5 OUTLIER -62.21 -35.59 79.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 310' ' ' LEU . . . . . . . . . . . . . 84.8 mt -73.15 -42.08 63.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.52 1.138 . . . . 0.0 109.338 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.17 -45.15 70.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 110.016 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -62.5 -21.98 65.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 313' ' ' SER . . . . . 0.537 ' HA ' ' CD2' ' A' ' 361' ' ' PHE . 1.4 p -68.59 -43.7 75.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.013 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 314' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.83 -18.94 55.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.34 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 2.0 mt -89.57 -84.78 0.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.258 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -71.61 156.79 39.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 317' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -96.68 -44.06 7.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -144.34 135.47 25.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 319' ' ' ILE . . . . . 0.453 ' CD1' ' HA ' ' A' ' 324' ' ' LEU . 4.9 tt -146.57 144.11 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 320' ' ' THR . . . . . . . . . . . . . 6.5 t -85.69 159.68 19.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.41 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 321' ' ' PHE . . . . . 0.566 ' CE2' ' O ' ' A' ' 357' ' ' GLY . 16.6 m-85 -55.43 -35.82 65.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 111.031 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -64.33 -48.89 73.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.282 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -69.92 -48.31 59.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.327 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 324' ' ' LEU . . . . . 0.563 ' CD2' ' CD1' ' A' ' 328' ' ' LEU . 4.8 tt -57.44 -42.27 82.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 325' ' ' GLY . . . . . 0.463 ' O ' ' N ' ' A' ' 330' ' ' ILE . . . -69.8 -32.23 70.33 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.549 1.155 . . . . 0.0 111.0 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -70.99 -26.59 63.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 0.789 . . . . 0.0 109.304 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.36 -39.45 59.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 328' ' ' LEU . . . . . 0.563 ' CD1' ' CD2' ' A' ' 324' ' ' LEU . 0.2 OUTLIER -93.26 3.24 55.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 65.33 9.75 5.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.34 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 330' ' ' ILE . . . . . 0.463 ' N ' ' O ' ' A' ' 325' ' ' GLY . 3.6 pt -103.3 164.6 15.15 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 331' ' ' PRO . . . . . 0.464 ' HD2' ' CB ' ' A' ' 334' ' ' LYS . 18.3 Cg_endo -74.97 158.94 42.02 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.53 1.805 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 332' ' ' ALA . . . . . 0.483 ' O ' ' CB ' ' A' ' 336' ' ' GLU . . . -58.85 -32.52 69.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -65.65 -36.88 84.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 334' ' ' LYS . . . . . 0.464 ' CB ' ' HD2' ' A' ' 331' ' ' PRO . 0.0 OUTLIER -75.11 -48.34 24.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 335' ' ' ALA . . . . . 0.511 ' O ' ' CB ' ' A' ' 339' ' ' ALA . . . -65.77 -34.01 77.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.232 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . 0.483 ' CB ' ' O ' ' A' ' 332' ' ' ALA . 5.2 tt0 -71.58 -47.82 52.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 110.334 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.87 -46.11 83.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 109.226 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 338' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 334' ' ' LYS . 55.6 mt -65.06 -47.67 86.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 109.309 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 339' ' ' ALA . . . . . 0.511 ' CB ' ' O ' ' A' ' 335' ' ' ALA . . . -56.22 -44.74 79.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -69.52 -44.99 69.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.981 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -59.74 -36.36 76.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.279 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 342' ' ' MET . . . . . . . . . . . . . 82.9 mtp -65.48 -49.42 69.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 111.035 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 343' ' ' ILE . . . . . . . . . . . . . 31.7 mt -60.17 -39.33 80.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 4.6 m -67.67 -29.06 68.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.391 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -83.09 -9.15 59.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 90.15 -30.47 5.9 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.541 1.151 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 347' ' ' ARG . . . . . 0.434 ' CD ' ' OE1' ' A' ' 306' ' ' GLU . 48.3 mtt-85 -38.7 -48.63 1.5 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 0.787 . . . . 0.0 110.297 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 13.6 ttp -103.02 155.65 18.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 110.988 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -122.76 131.63 53.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.348 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 135.91 -162.12 24.93 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.507 1.13 . . . . 0.0 110.954 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 351' ' ' PHE . . . . . . . . . . . . . 11.0 p90 -146.15 150.06 35.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 0.799 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 5.2 mt -94.32 111.41 25.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.335 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 353' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 357' ' ' GLY . 58.4 t0 -72.01 114.1 9.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -83.86 -17.86 39.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 110.289 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 37.9 mt -69.53 -40.33 79.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -110.52 -15.05 13.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.325 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 357' ' ' GLY . . . . . 0.566 ' O ' ' CE2' ' A' ' 321' ' ' PHE . . . 66.0 34.18 87.68 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.533 1.146 . . . . 0.0 110.968 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 358' ' ' ILE . . . . . 0.412 HG21 ' N ' ' A' ' 359' ' ' VAL . 89.7 mt -116.93 141.79 33.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 0.771 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 359' ' ' VAL . . . . . 0.455 ' CG2' HD13 ' A' ' 324' ' ' LEU . 29.2 m -83.14 140.18 16.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 360' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -113.18 110.6 20.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.597 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 361' ' ' PHE . . . . . 0.537 ' CD2' ' HA ' ' A' ' 313' ' ' SER . 15.2 m-85 -93.26 147.13 23.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 111.01 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.29 -179.98 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 302' ' ' ARG . . . . . 0.434 ' NH1' ' HB2' ' A' ' 302' ' ' ARG . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -58.7 -34.88 71.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 304' ' ' VAL . . . . . 0.405 ' O ' ' CG ' ' A' ' 308' ' ' ASN . 75.6 t -68.03 -45.98 82.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 305' ' ' ILE . . . . . 0.508 ' CD1' ' N ' ' A' ' 305' ' ' ILE . 1.2 mp -59.76 -38.3 75.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 306' ' ' GLU . . . . . 0.434 ' OE1' ' NH1' ' A' ' 347' ' ' ARG . 22.8 mt-10 -63.27 -50.81 68.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.326 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 52.0 t60 -63.15 -43.57 97.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.609 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 308' ' ' ASN . . . . . 0.467 ' HB2' ' CD2' ' A' ' 328' ' ' LEU . 59.5 m-20 -54.61 -39.48 67.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 309' ' ' LEU . . . . . 0.474 ' CD2' ' HA ' ' A' ' 339' ' ' ALA . 1.3 mp -63.82 -50.18 69.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 310' ' ' LEU . . . . . 0.521 ' CD2' ' CE ' ' A' ' 342' ' ' MET . 0.2 OUTLIER -63.75 -45.09 91.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.1 -36.9 80.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.999 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -70.44 -28.78 65.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 313' ' ' SER . . . . . . . . . . . . . 4.9 p -63.25 -39.23 94.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 110.024 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 314' ' ' LYS . . . . . . . . . . . . . 40.9 mtmt -80.54 -27.82 37.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 109.278 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 1.6 mt -81.17 -86.29 0.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -73.17 154.57 40.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 317' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -92.28 -41.56 10.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -147.4 135.9 21.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.435 1.085 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 319' ' ' ILE . . . . . 0.449 ' CD1' ' HA ' ' A' ' 324' ' ' LEU . 4.6 tt -146.44 146.67 18.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 320' ' ' THR . . . . . . . . . . . . . 82.2 p -86.19 160.16 19.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 110.395 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 321' ' ' PHE . . . . . 0.468 ' HB3' ' CB ' ' A' ' 332' ' ' ALA . 42.0 m-85 -55.85 -39.09 70.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -62.69 -49.22 75.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.298 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -69.45 -46.91 65.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 110.297 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 324' ' ' LEU . . . . . 0.522 ' CD2' ' CD1' ' A' ' 328' ' ' LEU . 4.2 tt -57.22 -43.65 83.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.288 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 325' ' ' GLY . . . . . 0.491 ' CA ' ' O ' ' A' ' 330' ' ' ILE . . . -67.82 -32.51 77.88 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.503 1.127 . . . . 0.0 111.016 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -72.38 -25.77 61.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 0.767 . . . . 0.0 109.269 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.28 -37.9 60.68 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.467 1.105 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 328' ' ' LEU . . . . . 0.522 ' CD1' ' CD2' ' A' ' 324' ' ' LEU . 0.1 OUTLIER -95.1 -3.58 47.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.102 . . . . 0.0 109.297 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 75.65 1.16 3.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.298 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 330' ' ' ILE . . . . . 0.491 ' O ' ' CA ' ' A' ' 325' ' ' GLY . 5.5 pt -96.31 163.0 21.72 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 331' ' ' PRO . . . . . 0.465 ' HD2' ' CB ' ' A' ' 334' ' ' LYS . 18.4 Cg_endo -74.92 160.63 40.15 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.48 1.779 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 332' ' ' ALA . . . . . 0.468 ' CB ' ' HB3' ' A' ' 321' ' ' PHE . . . -58.98 -36.39 74.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.273 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -62.32 -36.99 83.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.443 1.089 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 334' ' ' LYS . . . . . 0.465 ' CB ' ' HD2' ' A' ' 331' ' ' PRO . 0.0 OUTLIER -75.17 -47.92 26.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 335' ' ' ALA . . . . . 0.43 ' O ' ' CB ' ' A' ' 339' ' ' ALA . . . -64.62 -31.25 72.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 332' ' ' ALA . 6.6 tt0 -71.13 -47.11 59.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 14.1 mmtt -65.6 -46.07 80.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 338' ' ' ILE . . . . . 0.454 ' CD1' HG22 ' A' ' 305' ' ' ILE . 90.4 mt -63.86 -47.51 90.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 339' ' ' ALA . . . . . 0.474 ' HA ' ' CD2' ' A' ' 309' ' ' LEU . . . -56.58 -44.71 81.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.54 -42.55 67.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.007 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 341' ' ' GLN . . . . . 0.407 ' NE2' ' HA ' ' A' ' 341' ' ' GLN . 1.4 mp0 -59.81 -40.26 87.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.122 . . . . 0.0 110.285 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 342' ' ' MET . . . . . 0.521 ' CE ' ' CD2' ' A' ' 310' ' ' LEU . 44.1 mmm -62.89 -49.06 76.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 343' ' ' ILE . . . . . 0.466 ' CG1' ' HE2' ' A' ' 348' ' ' MET . 79.4 mt -68.01 -42.53 85.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 2.3 m -59.59 -29.61 68.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.401 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -90.99 -9.14 47.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.269 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 346' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 347' ' ' ARG . . . 90.18 -26.22 10.61 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.496 1.122 . . . . 0.0 111.006 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 347' ' ' ARG . . . . . 0.434 ' NH1' ' OE1' ' A' ' 306' ' ' GLU . 27.1 mtt180 -38.84 -34.76 0.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 0.742 . . . . 0.0 110.273 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 348' ' ' MET . . . . . 0.466 ' HE2' ' CG1' ' A' ' 343' ' ' ILE . 43.6 ttp -123.28 145.94 48.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -106.4 132.5 52.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.263 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 137.75 -174.46 21.83 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.51 1.131 . . . . 0.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 351' ' ' PHE . . . . . 0.43 ' CD1' ' C ' ' A' ' 351' ' ' PHE . 11.7 p90 -142.34 152.04 42.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 0.773 . . . . 0.0 110.979 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 35.8 mt -94.31 122.39 45.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 353' ' ' ASP . . . . . . . . . . . . . 54.5 t0 -84.2 110.06 18.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 109.322 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -84.0 -19.44 34.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 110.269 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 9.9 mm -65.91 -40.92 88.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 109.333 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -108.68 -15.01 14.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . 69.29 33.99 74.2 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.496 1.123 . . . . 0.0 111.026 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 358' ' ' ILE . . . . . . . . . . . . . 41.7 mt -118.35 148.05 21.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 0.746 . . . . 0.0 109.29 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 359' ' ' VAL . . . . . . . . . . . . . 40.9 t -87.88 140.0 16.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 360' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -112.35 111.06 21.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.544 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 361' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -99.45 146.27 26.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 -179.974 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 302' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -63.99 -41.46 97.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 304' ' ' VAL . . . . . 0.426 HG12 ' N ' ' A' ' 305' ' ' ILE . 0.3 OUTLIER -59.36 -42.07 86.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 305' ' ' ILE . . . . . 0.447 ' CG2' HG21 ' A' ' 338' ' ' ILE . 12.3 mt -65.56 -41.94 91.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 306' ' ' GLU . . . . . 0.422 ' OE2' ' CD ' ' A' ' 347' ' ' ARG . 38.1 mt-10 -69.74 -40.58 76.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 110.312 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -65.86 -47.12 75.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.105 . . . . 0.0 109.565 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 308' ' ' ASN . . . . . 0.434 ' CB ' HD23 ' A' ' 328' ' ' LEU . 1.4 m-20 -58.91 -40.99 86.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.67 -47.54 83.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.107 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 310' ' ' LEU . . . . . . . . . . . . . 31.6 mt -67.81 -37.37 81.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.91 -40.39 87.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.959 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -71.58 -21.71 61.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 313' ' ' SER . . . . . 0.521 ' HA ' ' CG ' ' A' ' 361' ' ' PHE . 4.0 p -63.78 -35.92 82.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 110.013 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 314' ' ' LYS . . . . . 0.417 ' HG2' ' N ' ' A' ' 315' ' ' LEU . 0.0 OUTLIER -96.72 -33.4 11.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.242 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 315' ' ' LEU . . . . . 0.417 ' N ' ' HG2' ' A' ' 314' ' ' LYS . 2.2 mt -73.26 -70.86 0.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -80.97 145.26 31.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 110.998 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 317' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -89.79 -30.02 18.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.564 1.165 . . . . 0.0 109.344 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -159.17 135.94 9.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 319' ' ' ILE . . . . . 0.455 HG22 ' CG2' ' A' ' 359' ' ' VAL . 16.4 tt -146.29 147.17 18.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 320' ' ' THR . . . . . . . . . . . . . 10.3 t -91.96 170.31 9.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.382 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 321' ' ' PHE . . . . . 0.408 ' CB ' ' HB1' ' A' ' 332' ' ' ALA . 25.1 m-85 -62.94 -32.14 73.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -68.18 -49.36 61.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 110.302 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 67.8 mt-10 -72.26 -42.33 65.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 110.268 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 324' ' ' LEU . . . . . 0.507 ' O ' ' CD1' ' A' ' 328' ' ' LEU . 12.9 tp -57.36 -42.84 82.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 325' ' ' GLY . . . . . 0.496 ' O ' ' N ' ' A' ' 330' ' ' ILE . . . -74.48 -33.16 56.74 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.535 1.147 . . . . 0.0 110.997 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -67.89 -28.52 67.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 0.743 . . . . 0.0 109.313 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -75.98 -42.03 49.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 328' ' ' LEU . . . . . 0.507 ' CD1' ' O ' ' A' ' 324' ' ' LEU . 0.1 OUTLIER -90.27 3.8 52.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 329' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 325' ' ' GLY . 11.6 mt-10 65.83 7.95 4.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.305 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 330' ' ' ILE . . . . . 0.496 ' N ' ' O ' ' A' ' 325' ' ' GLY . 4.6 pt -98.89 164.67 16.43 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 331' ' ' PRO . . . . . 0.469 ' HD2' ' HB ' ' A' ' 330' ' ' ILE . 18.4 Cg_endo -74.95 162.66 36.86 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.505 1.792 . . . . 0.0 111.048 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 332' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 336' ' ' GLU . . . -58.47 -44.41 89.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.58 1.175 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -55.46 -36.39 66.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 334' ' ' LYS . . . . . 0.515 ' O ' ' CG1' ' A' ' 338' ' ' ILE . 0.8 OUTLIER -75.11 -47.58 27.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 335' ' ' ALA . . . . . 0.496 ' O ' ' CB ' ' A' ' 339' ' ' ALA . . . -63.33 -30.78 71.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 332' ' ' ALA . 7.3 tt0 -71.25 -48.4 51.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 110.314 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -70.53 -45.67 65.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 109.33 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 338' ' ' ILE . . . . . 0.515 ' CG1' ' O ' ' A' ' 334' ' ' LYS . 2.1 mm -60.95 -44.88 98.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.35 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 339' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 335' ' ' ALA . . . -57.23 -45.17 84.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.84 -42.13 74.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 109.984 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.85 -36.53 77.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.255 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 342' ' ' MET . . . . . 0.463 ' HE1' ' CB ' ' A' ' 347' ' ' ARG . 4.7 mtp -66.37 -42.57 87.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 111.001 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 343' ' ' ILE . . . . . . . . . . . . . 53.9 mt -67.58 -45.71 84.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 109.267 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 1.9 m -60.17 -33.1 71.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.386 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -79.88 -8.3 59.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.326 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 86.07 -15.62 47.71 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 347' ' ' ARG . . . . . 0.463 ' CB ' ' HE1' ' A' ' 342' ' ' MET . 62.8 mtt-85 -48.88 -52.63 23.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 0.751 . . . . 0.0 110.31 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 348' ' ' MET . . . . . 0.447 ' HG2' ' N ' ' A' ' 349' ' ' ASN . 11.1 ttm -103.61 144.2 31.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.993 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 349' ' ' ASN . . . . . 0.447 ' N ' ' HG2' ' A' ' 348' ' ' MET . 0.8 OUTLIER -110.04 130.29 55.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 109.297 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 139.63 -157.49 25.21 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.495 1.122 . . . . 0.0 111.025 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 351' ' ' PHE . . . . . . . . . . . . . 19.7 p90 -146.12 154.22 41.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 0.778 . . . . 0.0 110.995 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 9.8 mt -94.22 121.85 45.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 353' ' ' ASP . . . . . 0.436 ' O ' ' CA ' ' A' ' 357' ' ' GLY . 58.8 t0 -82.07 110.02 16.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -85.08 -18.53 34.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 56.7 mt -68.82 -40.49 81.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -110.93 -14.87 13.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 357' ' ' GLY . . . . . 0.436 ' CA ' ' O ' ' A' ' 353' ' ' ASP . . . 70.56 34.02 67.52 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.539 1.149 . . . . 0.0 111.0 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 358' ' ' ILE . . . . . . . . . . . . . 97.0 mt -117.32 142.35 31.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.481 0.753 . . . . 0.0 109.304 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 359' ' ' VAL . . . . . 0.471 HG23 ' CZ ' ' A' ' 361' ' ' PHE . 29.4 m -86.16 136.17 23.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 360' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -104.55 117.62 34.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.598 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 361' ' ' PHE . . . . . 0.521 ' CG ' ' HA ' ' A' ' 313' ' ' SER . 22.9 m-85 -95.01 154.64 17.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 111.03 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.275 -179.995 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 302' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -64.68 -34.21 77.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 304' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -59.38 -42.21 86.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.577 1.173 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 305' ' ' ILE . . . . . 0.441 HG23 ' CD1' ' A' ' 309' ' ' LEU . 6.0 mt -65.47 -39.26 84.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -64.02 -42.08 97.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.293 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -70.85 -48.6 53.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.562 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 308' ' ' ASN . . . . . 0.478 ' HB3' ' CD2' ' A' ' 328' ' ' LEU . 1.4 m-80 -56.55 -39.17 72.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 309' ' ' LEU . . . . . 0.441 ' CD1' HG23 ' A' ' 305' ' ' ILE . 0.6 OUTLIER -62.83 -37.18 85.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 310' ' ' LEU . . . . . . . . . . . . . 27.7 mt -74.08 -36.47 64.29 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 311' ' ' SER . . . . . 0.466 ' O ' ' CD1' ' A' ' 315' ' ' LEU . 0.5 OUTLIER -71.81 -44.8 63.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.008 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -60.82 -29.72 69.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 313' ' ' SER . . . . . 0.561 ' HA ' ' CD1' ' A' ' 361' ' ' PHE . 12.4 t -61.86 -44.84 96.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 0.0 110.044 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 314' ' ' LYS . . . . . . . . . . . . . 9.6 mtmm -101.44 35.13 2.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.157 . . . . 0.0 109.336 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 315' ' ' LEU . . . . . 0.466 ' CD1' ' O ' ' A' ' 311' ' ' SER . 4.9 mt -142.29 -67.09 0.39 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -86.24 120.26 27.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 317' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -56.72 -40.45 75.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -161.54 136.0 7.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.337 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 319' ' ' ILE . . . . . 0.453 ' CD1' ' HA ' ' A' ' 324' ' ' LEU . 5.3 tt -145.96 141.54 21.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 320' ' ' THR . . . . . . . . . . . . . 66.8 p -84.07 167.43 16.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 110.393 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 321' ' ' PHE . . . . . 0.458 ' HB3' ' CB ' ' A' ' 332' ' ' ALA . 51.6 m-85 -61.66 -32.25 72.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.132 . . . . 0.0 111.018 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -66.44 -49.53 66.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -71.86 -45.9 59.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.337 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 324' ' ' LEU . . . . . 0.534 ' CD2' ' CD1' ' A' ' 328' ' ' LEU . 4.5 tt -57.14 -42.82 81.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 325' ' ' GLY . . . . . 0.489 ' O ' ' N ' ' A' ' 330' ' ' ILE . . . -71.38 -32.61 64.88 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.514 1.134 . . . . 0.0 111.018 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -69.45 -26.94 64.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 0.775 . . . . 0.0 109.323 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -75.7 -39.91 56.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 328' ' ' LEU . . . . . 0.534 ' CD1' ' CD2' ' A' ' 324' ' ' LEU . 0.1 OUTLIER -92.31 4.13 53.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 65.41 9.69 5.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.276 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 330' ' ' ILE . . . . . 0.489 ' N ' ' O ' ' A' ' 325' ' ' GLY . 3.7 pt -103.71 162.43 20.0 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 331' ' ' PRO . . . . . 0.453 ' HD2' ' CB ' ' A' ' 334' ' ' LYS . 18.1 Cg_endo -75.05 160.27 40.19 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.488 1.783 . . . . 0.0 110.957 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 332' ' ' ALA . . . . . 0.458 ' CB ' ' HB3' ' A' ' 321' ' ' PHE . . . -58.32 -40.93 83.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.327 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -58.44 -35.21 71.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 334' ' ' LYS . . . . . 0.453 ' CB ' ' HD2' ' A' ' 331' ' ' PRO . 9.6 tptt -75.21 -48.17 24.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 335' ' ' ALA . . . . . 0.509 ' O ' ' CB ' ' A' ' 339' ' ' ALA . . . -63.84 -30.67 71.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 332' ' ' ALA . 11.4 tt0 -70.77 -47.28 60.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.327 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 7.7 mttt -65.13 -45.48 84.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.275 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 338' ' ' ILE . . . . . 0.428 HG23 ' CD1' ' A' ' 309' ' ' LEU . 66.7 mt -66.34 -45.83 88.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 339' ' ' ALA . . . . . 0.509 ' CB ' ' O ' ' A' ' 335' ' ' ALA . . . -56.89 -45.69 82.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.82 -39.87 69.52 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 110.021 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -63.83 -39.51 94.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.153 . . . . 0.0 110.36 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 342' ' ' MET . . . . . . . . . . . . . 34.1 mmm -62.74 -45.57 92.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 343' ' ' ILE . . . . . 0.446 HG13 ' CE ' ' A' ' 348' ' ' MET . 42.9 mt -68.13 -39.13 80.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 3.8 m -68.03 -26.99 66.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 110.419 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -87.5 -9.22 55.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 110.351 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 89.81 -29.29 6.44 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.451 1.094 . . . . 0.0 110.993 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 347' ' ' ARG . . . . . . . . . . . . . 69.6 mtt-85 -39.26 -36.08 0.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 0.754 . . . . 0.0 110.258 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 348' ' ' MET . . . . . 0.446 ' CE ' HG13 ' A' ' 343' ' ' ILE . 23.1 ttp -117.5 160.56 21.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -125.66 132.12 52.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 134.08 -164.15 24.5 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.493 1.12 . . . . 0.0 110.993 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 351' ' ' PHE . . . . . . . . . . . . . 19.7 p90 -144.35 160.29 41.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 0.755 . . . . 0.0 110.981 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 11.5 mt -104.08 125.56 58.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.11 . . . . 0.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 353' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -86.25 109.88 19.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -88.82 -15.14 35.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 10.5 mt -68.92 -40.31 80.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.421 1.075 . . . . 0.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -107.85 -14.5 14.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . 74.03 30.88 60.51 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 358' ' ' ILE . . . . . . . . . . . . . 80.1 mt -113.15 149.1 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 0.751 . . . . 0.0 109.281 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 359' ' ' VAL . . . . . . . . . . . . . 44.3 t -92.6 116.11 33.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 360' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -83.86 111.38 19.16 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.487 1.117 . . . . 0.0 109.595 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 361' ' ' PHE . . . . . 0.561 ' CD1' ' HA ' ' A' ' 313' ' ' SER . 4.4 m-85 -99.81 152.32 20.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 110.298 179.978 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 302' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.341 -0.244 . . . . 0.0 110.341 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -69.83 -37.49 76.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 304' ' ' VAL . . . . . 0.431 HG13 ' N ' ' A' ' 305' ' ' ILE . 0.3 OUTLIER -59.37 -42.48 87.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 305' ' ' ILE . . . . . 0.431 ' N ' HG13 ' A' ' 304' ' ' VAL . 5.4 mt -64.81 -41.47 92.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.367 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -66.31 -42.26 88.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 110.316 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -71.13 -46.23 62.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.642 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 308' ' ' ASN . . . . . 0.474 ' HB3' ' CD2' ' A' ' 328' ' ' LEU . 7.1 m-80 -56.37 -32.92 65.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 309' ' ' LEU . . . . . 0.429 ' CD1' ' CG2' ' A' ' 338' ' ' ILE . 1.9 mt -69.09 -34.24 74.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 310' ' ' LEU . . . . . . . . . . . . . 14.1 mt -74.26 -42.1 60.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.83 -44.42 55.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.044 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 312' ' ' ALA . . . . . 0.424 ' CB ' ' O ' ' A' ' 308' ' ' ASN . . . -59.99 -22.84 63.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 313' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 362' ' ' GLU . 0.9 OUTLIER -69.66 -45.08 69.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 110.034 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 314' ' ' LYS . . . . . . . . . . . . . 7.4 mtmp? -101.13 35.56 2.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 7.4 mt -133.5 -70.23 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -84.13 135.22 34.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 111.006 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 317' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -61.24 -45.02 96.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -163.3 135.99 5.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 319' ' ' ILE . . . . . . . . . . . . . 16.6 tt -146.17 143.98 20.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 320' ' ' THR . . . . . . . . . . . . . 10.9 t -83.62 166.98 17.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.433 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 321' ' ' PHE . . . . . 0.638 ' CE1' ' CG2' ' A' ' 359' ' ' VAL . 39.3 m-85 -60.05 -39.13 84.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.992 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -59.67 -50.08 75.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 110.296 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -72.99 -47.56 44.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 110.289 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 324' ' ' LEU . . . . . 0.472 ' CD1' ' HB3' ' A' ' 335' ' ' ALA . 1.1 tm? -56.94 -44.41 82.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.332 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 325' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 330' ' ' ILE . . . -69.84 -32.92 70.3 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -66.95 -29.29 69.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 0.77 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.27 -39.36 59.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 328' ' ' LEU . . . . . 0.474 ' CD2' ' HB3' ' A' ' 308' ' ' ASN . 0.2 OUTLIER -87.81 3.16 49.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 65.48 12.13 7.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 330' ' ' ILE . . . . . 0.46 ' N ' ' O ' ' A' ' 325' ' ' GLY . 2.9 pt -109.75 162.27 20.95 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 331' ' ' PRO . . . . . 0.455 ' HD2' ' CB ' ' A' ' 334' ' ' LYS . 18.5 Cg_endo -74.95 160.74 39.92 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.487 1.783 . . . . 0.0 111.021 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 332' ' ' ALA . . . . . 0.435 ' CB ' ' CB ' ' A' ' 321' ' ' PHE . . . -59.27 -35.86 74.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -62.73 -37.84 88.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 334' ' ' LYS . . . . . 0.455 ' CB ' ' HD2' ' A' ' 331' ' ' PRO . 0.1 OUTLIER -74.18 -47.78 33.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 335' ' ' ALA . . . . . 0.504 ' O ' ' CB ' ' A' ' 339' ' ' ALA . . . -64.36 -31.12 72.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 332' ' ' ALA . 11.0 tt0 -69.68 -47.27 63.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.309 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 29.4 mmtt -66.56 -45.68 78.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 109.351 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 338' ' ' ILE . . . . . 0.429 ' CG2' ' CD1' ' A' ' 309' ' ' LEU . 67.8 mt -65.16 -46.38 91.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 339' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 335' ' ' ALA . . . -56.82 -44.78 82.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.18 -43.26 67.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.009 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.99 -40.82 90.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 110.307 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 342' ' ' MET . . . . . . . . . . . . . 1.9 mmm -62.9 -48.24 79.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.973 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 343' ' ' ILE . . . . . 0.425 HG13 ' CE ' ' A' ' 348' ' ' MET . 34.7 mt -64.56 -39.71 86.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 2.9 m -70.24 -27.42 64.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.391 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -83.79 -8.94 59.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.264 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 89.8 -29.53 6.3 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.532 1.145 . . . . 0.0 110.999 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 347' ' ' ARG . . . . . . . . . . . . . 72.1 mtt-85 -39.08 -50.95 1.87 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 0.751 . . . . 0.0 110.343 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 348' ' ' MET . . . . . 0.425 ' CE ' HG13 ' A' ' 343' ' ' ILE . 9.6 ttp -98.61 172.51 7.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.537 1.148 . . . . 0.0 110.964 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -137.91 131.87 31.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 133.87 -162.84 24.51 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.511 1.132 . . . . 0.0 110.996 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 351' ' ' PHE . . . . . . . . . . . . . 12.0 p90 -145.28 159.46 42.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 0.771 . . . . 0.0 111.029 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 12.5 mt -102.86 133.47 46.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 353' ' ' ASP . . . . . 0.428 ' HB2' ' CD2' ' A' ' 360' ' ' HIS . 66.1 t0 -95.91 109.76 22.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -85.62 -17.65 35.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.314 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 25.8 mt -66.58 -42.96 90.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -106.03 -11.76 16.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 109.354 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 357' ' ' GLY . . . . . 0.428 ' O ' ' CE2' ' A' ' 321' ' ' PHE . . . 69.09 34.0 75.26 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.513 1.133 . . . . 0.0 110.973 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 358' ' ' ILE . . . . . . . . . . . . . 61.1 mt -116.24 146.05 21.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.484 0.755 . . . . 0.0 109.318 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 359' ' ' VAL . . . . . 0.638 ' CG2' ' CE1' ' A' ' 321' ' ' PHE . 48.7 t -94.15 114.22 30.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 360' ' ' HIS . . . . . 0.428 ' CD2' ' HB2' ' A' ' 353' ' ' ASP . 25.6 m-70 -84.41 110.83 18.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.622 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 361' ' ' PHE . . . . . 0.566 ' CZ ' HG12 ' A' ' 359' ' ' VAL . 15.1 m-85 -100.51 146.93 26.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 110.987 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 362' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 313' ' ' SER . 4.3 pt-20 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.326 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 290' ' ' SER . . . . . . . . . . . . . 23.2 t -74.76 94.26 2.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 0.748 . . . . 0.0 109.98 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 291' ' ' SER . . . . . . . . . . . . . 2.6 m -103.38 152.1 21.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.989 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 292' ' ' GLY . . . . . . . . . . . . . . . -46.27 -79.74 0.06 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.453 1.096 . . . . 0.0 111.018 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 293' ' ' SER . . . . . . . . . . . . . 12.2 m 60.37 84.44 0.12 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 0.796 . . . . 0.0 109.986 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 294' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.59 104.5 14.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.054 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . -82.03 -89.07 0.65 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.516 1.135 . . . . 0.0 111.004 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 296' ' ' GLY . . . . . . . . . . . . . . . -116.67 128.03 7.73 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 297' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.88 -53.49 0.08 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.487 0.757 . . . . 0.0 109.991 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 298' ' ' SER . . . . . . . . . . . . . 84.8 p -126.56 132.81 51.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.097 . . . . 0.0 110.003 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 299' ' ' ILE . . . . . . . . . . . . . 1.6 mt -103.77 28.65 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.247 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -45.52 169.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 301' ' ' ASP . . . . . 0.476 ' HB3' ' CG2' ' A' ' 304' ' ' VAL . 1.1 t70 -58.76 107.49 0.53 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 302' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.11 -27.2 62.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.296 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -65.69 -36.46 83.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.247 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 304' ' ' VAL . . . . . 0.476 ' CG2' ' HB3' ' A' ' 301' ' ' ASP . 70.4 t -63.12 -46.23 96.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 305' ' ' ILE . . . . . . . . . . . . . 5.3 mt -60.18 -44.65 95.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -57.79 -48.41 79.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.361 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 25.8 t60 -69.66 -45.4 68.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.614 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 308' ' ' ASN . . . . . 0.507 ' CB ' ' CD2' ' A' ' 328' ' ' LEU . 6.9 m-20 -54.94 -39.01 68.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 309' ' ' LEU . . . . . 0.459 ' CD1' HD12 ' A' ' 328' ' ' LEU . 1.3 tp -62.83 -40.02 96.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.419 1.075 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 310' ' ' LEU . . . . . . . . . . . . . 18.9 mt -74.15 -37.7 63.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.278 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.05 -45.1 86.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.995 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -66.26 -35.54 80.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 313' ' ' SER . . . . . . . . . . . . . 25.8 p -62.67 -25.25 68.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.568 1.168 . . . . 0.0 110.046 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 314' ' ' LYS . . . . . . . . . . . . . 35.6 mtmt -100.17 -13.11 19.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 7.4 mt -101.56 -82.19 0.47 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -70.25 118.25 12.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.973 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 317' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.1 -41.4 78.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.35 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -152.92 135.85 15.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.272 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 319' ' ' ILE . . . . . 0.467 ' CG2' HD12 ' A' ' 324' ' ' LEU . 20.2 tt -146.23 147.06 18.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.275 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . 70.6 p -85.12 163.26 18.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 110.424 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 321' ' ' PHE . . . . . 0.417 ' CE2' ' O ' ' A' ' 357' ' ' GLY . 48.1 m-85 -58.93 -36.36 74.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -62.42 -49.21 76.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 110.306 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -72.23 -44.73 62.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.163 . . . . 0.0 110.327 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 324' ' ' LEU . . . . . 0.467 HD12 ' CG2' ' A' ' 319' ' ' ILE . 21.3 tp -57.3 -41.96 80.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . 0.468 ' O ' ' N ' ' A' ' 330' ' ' ILE . . . -69.82 -32.3 70.28 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -70.11 -28.19 65.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 0.754 . . . . 0.0 109.266 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.57 -39.9 57.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 328' ' ' LEU . . . . . 0.507 ' CD2' ' CB ' ' A' ' 308' ' ' ASN . 0.1 OUTLIER -92.1 2.54 56.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.079 . . . . 0.0 109.329 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 64.99 10.1 5.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.328 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 330' ' ' ILE . . . . . 0.468 ' N ' ' O ' ' A' ' 325' ' ' GLY . 2.9 pt -104.19 164.22 15.74 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 331' ' ' PRO . . . . . 0.443 ' HD2' ' HB ' ' A' ' 330' ' ' ILE . 18.4 Cg_endo -74.98 157.89 42.59 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.511 1.795 . . . . 0.0 111.034 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 332' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 336' ' ' GLU . . . -58.72 -32.8 69.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -63.24 -42.99 99.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 334' ' ' LYS . . . . . 0.49 ' O ' ' CG1' ' A' ' 338' ' ' ILE . 8.3 tttt -72.03 -47.4 52.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 335' ' ' ALA . . . . . . . . . . . . . . . -63.83 -31.01 72.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 332' ' ' ALA . 9.0 tt0 -71.05 -47.43 58.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.286 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 3.5 mmtp -69.35 -45.27 69.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 338' ' ' ILE . . . . . 0.49 ' CG1' ' O ' ' A' ' 334' ' ' LYS . 2.0 mm -60.46 -47.68 91.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 109.285 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 339' ' ' ALA . . . . . 0.455 ' HA ' ' CD2' ' A' ' 309' ' ' LEU . . . -58.06 -45.17 87.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.35 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.74 -42.28 82.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.009 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -63.11 -37.6 87.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.297 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 342' ' ' MET . . . . . 0.44 ' HG3' ' CD2' ' A' ' 309' ' ' LEU . 37.5 mmm -63.49 -41.63 98.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.996 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 343' ' ' ILE . . . . . . . . . . . . . 29.7 mt -65.19 -42.61 94.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 2.9 m -67.78 -32.64 73.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 110.394 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -79.89 -6.05 56.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 110.297 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 81.92 -7.6 62.45 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.536 1.148 . . . . 0.0 111.007 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 347' ' ' ARG . . . . . . . . . . . . . 10.3 mtp180 -56.26 -45.17 80.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 0.776 . . . . 0.0 110.316 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 348' ' ' MET . . . . . 0.432 ' HG2' ' N ' ' A' ' 349' ' ' ASN . 13.3 ttm -112.55 142.59 44.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 111.038 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 349' ' ' ASN . . . . . 0.432 ' N ' ' HG2' ' A' ' 348' ' ' MET . 0.7 OUTLIER -106.29 131.03 54.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 134.72 -156.66 22.59 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 351' ' ' PHE . . . . . . . . . . . . . 36.4 p90 -146.03 164.98 30.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 0.754 . . . . 0.0 111.009 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 13.2 mt -104.18 127.85 58.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 0.0 109.345 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 353' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -89.88 109.99 20.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -88.24 -14.36 38.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.312 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 10.0 mt -70.31 -42.36 78.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.329 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -107.39 -13.12 15.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 357' ' ' GLY . . . . . 0.417 ' O ' ' CE2' ' A' ' 321' ' ' PHE . . . 71.3 30.23 67.4 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.527 1.142 . . . . 0.0 110.963 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 358' ' ' ILE . . . . . . . . . . . . . 48.3 mt -112.89 146.57 17.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.55 0.794 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 359' ' ' VAL . . . . . . . . . . . . . 50.0 t -90.5 119.72 38.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 360' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -87.43 110.85 20.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.593 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 361' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -101.44 152.25 20.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.959 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -81.13 142.37 33.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 110.3 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 363' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -110.29 143.54 40.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.413 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 364' ' ' ARG . . . . . . . . . . . . . 68.0 mtt180 -54.1 136.01 42.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.296 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 365' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 60.15 77.21 0.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 110.299 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 366' ' ' ALA . . . . . . . . . . . . . . . -151.77 151.83 31.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -142.12 -59.64 0.46 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.008 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 368' ' ' GLY . . . . . . . . . . . . . . . 144.25 -144.09 12.98 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.524 1.14 . . . . 0.0 110.976 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 369' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 163.68 34.82 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.465 1.771 . . . . 0.0 111.008 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.54 111.17 3.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.976 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 371' ' ' SER . . . . . . . . . . . . . 3.3 t -72.88 142.69 47.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.168 . . . . 0.0 110.015 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 372' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.499 1.125 . . . . 0.0 111.012 179.958 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 290' ' ' SER . . . . . . . . . . . . . 69.3 m -152.16 -58.15 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 0.737 . . . . 0.0 110.021 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 291' ' ' SER . . . . . . . . . . . . . 78.0 p -130.93 158.56 39.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.017 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 292' ' ' GLY . . . . . . . . . . . . . . . -151.6 64.36 0.38 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.477 1.111 . . . . 0.0 111.036 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 293' ' ' SER . . . . . . . . . . . . . 13.2 m 56.59 165.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 0.781 . . . . 0.0 109.986 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 294' ' ' SER . . . . . . . . . . . . . 3.4 m -160.21 149.38 17.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.98 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 139.21 -171.82 23.49 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.481 1.113 . . . . 0.0 110.97 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 296' ' ' GLY . . . . . . . . . . . . . . . -91.26 62.84 2.79 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 297' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -174.42 -57.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 0.758 . . . . 0.0 109.991 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 298' ' ' SER . . . . . . . . . . . . . 3.0 m -94.28 81.29 4.01 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.465 1.103 . . . . 0.0 109.968 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 299' ' ' ILE . . . . . . . . . . . . . 1.1 mt -119.43 108.74 24.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 300' ' ' LEU . . . . . 0.403 ' N ' ' CD2' ' A' ' 300' ' ' LEU . 0.6 OUTLIER -57.77 96.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.0 109.264 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 301' ' ' ASP . . . . . 0.463 ' HB3' ' CG2' ' A' ' 304' ' ' VAL . 10.2 m-20 -88.02 108.37 19.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.334 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 302' ' ' ARG . . . . . 0.471 ' HD2' ' CD1' ' A' ' 338' ' ' ILE . 0.0 OUTLIER -67.07 -36.86 82.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 110.315 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -67.85 -36.31 80.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 304' ' ' VAL . . . . . 0.463 ' CG2' ' HB3' ' A' ' 301' ' ' ASP . 70.1 t -69.39 -46.37 76.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 305' ' ' ILE . . . . . 0.456 HG23 ' CD1' ' A' ' 338' ' ' ILE . 10.3 mt -60.45 -38.85 79.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -57.65 -48.62 78.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.318 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 21.2 t60 -70.87 -42.98 69.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.551 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 308' ' ' ASN . . . . . 0.47 ' CB ' HD21 ' A' ' 328' ' ' LEU . 9.0 m-20 -57.96 -38.99 77.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 309' ' ' LEU . . . . . 0.493 ' CD2' ' HA ' ' A' ' 339' ' ' ALA . 1.3 mp -62.76 -39.34 93.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 310' ' ' LEU . . . . . . . . . . . . . 23.5 mt -72.3 -41.47 66.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 16.5 m -63.49 -45.06 92.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.975 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -69.37 -39.49 78.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 313' ' ' SER . . . . . 0.447 ' HA ' ' CG ' ' A' ' 361' ' ' PHE . 17.1 t -61.14 -26.56 67.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.985 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 314' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -94.91 -17.67 21.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 6.5 mt -93.34 -87.85 0.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 109.271 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -59.15 153.85 17.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 110.978 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 317' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -85.79 -44.33 12.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.274 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -154.25 136.77 15.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 319' ' ' ILE . . . . . . . . . . . . . 18.1 tt -146.26 142.0 21.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . 1.6 p -79.12 162.74 25.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.409 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 321' ' ' PHE . . . . . 0.462 ' HB3' ' CB ' ' A' ' 332' ' ' ALA . 71.7 m-85 -56.47 -39.01 72.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 111.003 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -61.16 -49.18 78.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.566 1.166 . . . . 0.0 110.308 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -72.01 -44.08 64.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.317 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 324' ' ' LEU . . . . . 0.518 ' O ' ' CD1' ' A' ' 328' ' ' LEU . 23.9 tp -57.32 -42.47 81.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . 0.469 ' O ' ' N ' ' A' ' 330' ' ' ILE . . . -74.1 -32.74 58.13 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.483 1.115 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -66.93 -29.1 68.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 0.773 . . . . 0.0 109.333 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.72 -41.94 52.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.157 . . . . 0.0 109.261 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 328' ' ' LEU . . . . . 0.518 ' CD1' ' O ' ' A' ' 324' ' ' LEU . 0.1 OUTLIER -87.59 3.68 46.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.153 . . . . 0.0 109.293 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 64.9 10.02 5.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.288 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 330' ' ' ILE . . . . . 0.469 ' N ' ' O ' ' A' ' 325' ' ' GLY . 2.6 pt -105.46 162.72 18.88 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 331' ' ' PRO . . . . . 0.477 ' HD2' ' CB ' ' A' ' 334' ' ' LYS . 18.3 Cg_endo -75.03 159.66 40.99 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.492 1.785 . . . . 0.0 110.999 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 332' ' ' ALA . . . . . 0.462 ' CB ' ' HB3' ' A' ' 321' ' ' PHE . . . -58.32 -36.94 74.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -61.83 -35.93 79.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 334' ' ' LYS . . . . . 0.477 ' CB ' ' HD2' ' A' ' 331' ' ' PRO . 0.0 OUTLIER -75.19 -47.97 25.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 335' ' ' ALA . . . . . 0.5 ' O ' ' CB ' ' A' ' 339' ' ' ALA . . . -64.33 -30.76 71.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -71.12 -47.11 59.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.341 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 28.5 tptt -66.3 -45.88 78.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 338' ' ' ILE . . . . . 0.471 ' CD1' ' HD2' ' A' ' 302' ' ' ARG . 90.1 mt -64.65 -47.3 89.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 339' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 335' ' ' ALA . . . -56.31 -43.79 79.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.78 -44.87 65.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 110.001 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.9 -35.64 75.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.328 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 342' ' ' MET . . . . . . . . . . . . . 9.2 mtp -62.61 -50.04 72.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 343' ' ' ILE . . . . . . . . . . . . . 35.7 mt -67.82 -37.49 78.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 1.8 m -62.19 -40.0 94.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.407 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -81.21 -7.26 59.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 110.337 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 84.85 -11.87 58.7 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.544 1.153 . . . . 0.0 110.958 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 347' ' ' ARG . . . . . . . . . . . . . 14.7 mtt-85 -48.19 -48.8 34.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 0.753 . . . . 0.0 110.276 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 39.7 ttp -106.25 152.43 23.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 111.014 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -110.1 133.5 53.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 130.73 -165.84 22.72 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.528 1.142 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 351' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -146.19 158.15 43.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 0.741 . . . . 0.0 110.979 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 28.1 mt -97.83 126.4 50.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 353' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -89.53 109.91 20.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -84.72 -20.39 31.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.446 1.091 . . . . 0.0 110.299 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 34.6 mt -66.85 -40.77 86.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.27 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -106.57 -14.74 14.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . 68.35 33.37 77.4 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.462 1.101 . . . . 0.0 111.016 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 358' ' ' ILE . . . . . . . . . . . . . 58.9 mt -116.85 144.38 24.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.547 0.792 . . . . 0.0 109.287 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 359' ' ' VAL . . . . . 0.562 HG12 ' CZ ' ' A' ' 361' ' ' PHE . 69.0 t -90.09 122.48 41.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 360' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -93.86 111.02 22.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.572 1.17 . . . . 0.0 109.558 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 361' ' ' PHE . . . . . 0.562 ' CZ ' HG12 ' A' ' 359' ' ' VAL . 12.2 m-85 -99.66 156.46 17.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -80.38 145.67 31.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 0.0 110.319 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 363' ' ' THR . . . . . . . . . . . . . 1.5 t -111.91 147.0 36.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.37 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 364' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -45.49 128.75 8.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 365' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 55.27 95.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.304 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 366' ' ' ALA . . . . . . . . . . . . . . . -159.26 153.36 23.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 41.84 84.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.993 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 368' ' ' GLY . . . . . . . . . . . . . . . 56.94 -152.26 24.13 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 369' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 104.06 1.84 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.508 1.794 . . . . 0.0 111.042 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 5.5 t -93.08 158.45 15.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 110.0 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 371' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -149.68 -58.36 0.2 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.005 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 372' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 179.995 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 290' ' ' SER . . . . . . . . . . . . . 78.1 p -172.72 81.39 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 0.771 . . . . 0.0 109.988 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 291' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -144.38 -57.99 0.37 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 110.015 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 292' ' ' GLY . . . . . . . . . . . . . . . 134.56 107.01 0.92 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.463 1.102 . . . . 0.0 111.037 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 293' ' ' SER . . . . . . . . . . . . . 1.6 m 64.68 161.76 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 0.773 . . . . 0.0 109.964 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 294' ' ' SER . . . . . . . . . . . . . 3.8 m 61.31 154.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.971 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . -68.75 -86.26 0.1 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.496 1.123 . . . . 0.0 110.986 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 296' ' ' GLY . . . . . . . . . . . . . . . 179.98 55.93 0.08 OUTLIER Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 297' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.6 114.98 1.02 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 0.768 . . . . 0.0 109.989 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 298' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.42 161.15 9.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.967 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 299' ' ' ILE . . . . . 0.44 ' O ' ' C ' ' A' ' 300' ' ' LEU . 32.2 mm -111.79 26.98 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 300' ' ' LEU . . . . . 0.499 ' O ' ' CD1' ' A' ' 300' ' ' LEU . 1.3 pp 37.44 77.55 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 301' ' ' ASP . . . . . 0.467 ' CB ' HG23 ' A' ' 304' ' ' VAL . 0.3 OUTLIER -63.99 107.91 1.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 302' ' ' ARG . . . . . . . . . . . . . 5.9 tpp85 -58.8 -32.01 68.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.35 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -68.84 -32.0 71.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.252 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 304' ' ' VAL . . . . . 0.467 HG23 ' CB ' ' A' ' 301' ' ' ASP . 50.3 t -71.91 -46.42 60.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 109.344 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 305' ' ' ILE . . . . . . . . . . . . . 4.7 mt -60.05 -43.09 91.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.95 -44.48 96.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 110.323 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 26.8 t60 -69.02 -48.77 62.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.622 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 308' ' ' ASN . . . . . 0.473 ' HB3' ' CD2' ' A' ' 328' ' ' LEU . 1.2 m-80 -54.83 -38.49 67.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 309' ' ' LEU . . . . . 0.468 ' CD1' HG23 ' A' ' 338' ' ' ILE . 0.9 OUTLIER -62.76 -38.63 91.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 310' ' ' LEU . . . . . . . . . . . . . 22.3 mt -73.35 -38.16 65.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 109.3 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 311' ' ' SER . . . . . 0.449 ' O ' ' CD1' ' A' ' 315' ' ' LEU . 0.8 OUTLIER -68.37 -45.06 73.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.054 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -65.91 -24.43 66.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 313' ' ' SER . . . . . 0.471 ' HA ' ' CG ' ' A' ' 361' ' ' PHE . 11.7 t -67.77 -43.03 80.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.034 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 314' ' ' LYS . . . . . . . . . . . . . 28.1 mtmt -101.92 35.23 2.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.26 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 315' ' ' LEU . . . . . 0.449 ' CD1' ' O ' ' A' ' 311' ' ' SER . 6.3 mt -137.29 -69.42 0.46 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.12 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -79.61 154.34 28.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.15 . . . . 0.0 110.985 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 317' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -82.52 -38.82 23.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.247 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -166.42 135.71 3.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 319' ' ' ILE . . . . . 0.457 ' CD1' ' HA ' ' A' ' 324' ' ' LEU . 1.4 tt -146.55 143.24 20.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . 5.4 t -86.31 168.98 13.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 110.418 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 321' ' ' PHE . . . . . 0.526 ' CB ' ' CB ' ' A' ' 332' ' ' ALA . 29.8 m-85 -61.31 -39.12 89.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 111.027 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -59.4 -49.05 79.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.317 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -70.94 -48.19 54.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 324' ' ' LEU . . . . . 0.496 ' CD2' ' CD1' ' A' ' 328' ' ' LEU . 4.1 tt -57.21 -42.51 81.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . 0.485 ' O ' ' N ' ' A' ' 330' ' ' ILE . . . -68.37 -32.32 75.45 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.514 1.134 . . . . 0.0 110.976 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -71.34 -26.19 62.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 0.792 . . . . 0.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -75.62 -38.59 58.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 328' ' ' LEU . . . . . 0.496 ' CD1' ' CD2' ' A' ' 324' ' ' LEU . 0.1 OUTLIER -95.09 3.92 54.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 65.55 9.05 5.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 110.293 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 330' ' ' ILE . . . . . 0.485 ' N ' ' O ' ' A' ' 325' ' ' GLY . 3.8 pt -102.97 163.41 17.59 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 109.352 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 331' ' ' PRO . . . . . 0.479 ' HD2' ' CB ' ' A' ' 334' ' ' LYS . 18.3 Cg_endo -75.02 160.08 40.51 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.485 1.782 . . . . 0.0 110.954 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 332' ' ' ALA . . . . . 0.526 ' CB ' ' CB ' ' A' ' 321' ' ' PHE . . . -58.45 -37.79 76.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.265 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -61.12 -35.57 77.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.335 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 334' ' ' LYS . . . . . 0.479 ' CB ' ' HD2' ' A' ' 331' ' ' PRO . 0.0 OUTLIER -75.47 -47.93 24.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 335' ' ' ALA . . . . . 0.502 ' O ' ' CB ' ' A' ' 339' ' ' ALA . . . -64.44 -32.36 73.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 332' ' ' ALA . 5.0 tt0 -70.57 -47.1 61.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.304 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 6.2 mmtm -61.84 -45.52 93.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.361 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 338' ' ' ILE . . . . . 0.468 HG23 ' CD1' ' A' ' 309' ' ' LEU . 58.2 mt -69.51 -43.48 80.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 339' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 335' ' ' ALA . . . -57.26 -43.64 83.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.28 -43.42 70.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 110.013 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.47 -38.15 80.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.264 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 342' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -43.1 99.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 343' ' ' ILE . . . . . . . . . . . . . 51.7 mt -68.25 -41.96 84.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 1.2 m -70.47 -29.18 65.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.416 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -79.89 -9.41 59.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.336 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 83.98 -12.76 52.42 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.499 1.125 . . . . 0.0 111.035 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 347' ' ' ARG . . . . . . . . . . . . . 36.3 mtt-85 -54.69 -44.52 73.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 0.776 . . . . 0.0 110.299 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 348' ' ' MET . . . . . 0.457 ' HG2' ' N ' ' A' ' 349' ' ' ASN . 6.2 ttm -112.92 144.07 43.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 111.025 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 349' ' ' ASN . . . . . 0.457 ' N ' ' HG2' ' A' ' 348' ' ' MET . 0.6 OUTLIER -108.59 129.43 55.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 142.34 -161.33 27.31 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.484 1.115 . . . . 0.0 111.006 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 351' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -146.13 162.6 37.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 0.735 . . . . 0.0 111.025 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 12.0 mt -104.05 121.08 55.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 353' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -84.51 109.88 18.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.29 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -86.03 -15.04 42.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.298 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 10.7 mm -69.47 -40.81 80.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.33 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -108.93 -15.01 14.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . 71.71 31.1 65.38 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.523 1.139 . . . . 0.0 110.998 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 358' ' ' ILE . . . . . . . . . . . . . 64.6 mt -114.46 140.6 34.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.47 0.747 . . . . 0.0 109.35 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 359' ' ' VAL . . . . . . . . . . . . . 69.3 t -83.31 121.23 35.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.336 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 360' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -88.79 110.94 21.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.612 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 361' ' ' PHE . . . . . 0.471 ' CG ' ' HA ' ' A' ' 313' ' ' SER . 10.1 m-85 -101.63 151.39 22.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -84.4 145.7 28.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.299 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 363' ' ' THR . . . . . . . . . . . . . 1.2 t -103.3 145.73 29.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 110.399 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 364' ' ' ARG . . . . . . . . . . . . . 8.7 mtt180 -60.54 143.2 54.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.296 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 365' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -75.77 122.35 23.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 110.304 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 366' ' ' ALA . . . . . . . . . . . . . . . -107.61 -62.1 1.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 2.7 m -131.52 154.08 49.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.009 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 368' ' ' GLY . . . . . . . . . . . . . . . -167.43 -169.71 31.33 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.509 1.131 . . . . 0.0 110.977 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 369' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 141.09 26.14 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.521 1.8 . . . . 0.0 111.032 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.92 145.08 50.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.983 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 371' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -162.08 88.87 0.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.027 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 372' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.518 1.136 . . . . 0.0 111.031 -179.996 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 290' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.9 144.27 29.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 0.747 . . . . 0.0 109.995 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 291' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.27 115.77 9.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.998 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 292' ' ' GLY . . . . . . . . . . . . . . . 91.76 149.11 23.43 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.438 1.086 . . . . 0.0 110.965 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 293' ' ' SER . . . . . . . . . . . . . 40.0 t -170.09 101.8 0.29 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 0.77 . . . . 0.0 109.981 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 294' ' ' SER . . . . . . . . . . . . . 43.7 t -105.95 -60.51 1.63 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.998 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 136.41 -147.31 19.15 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.521 1.138 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 296' ' ' GLY . . . . . . . . . . . . . . . -143.54 -127.39 2.09 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 297' ' ' SER . . . . . . . . . . . . . 13.6 m -103.63 -65.31 1.02 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 0.761 . . . . 0.0 109.986 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 298' ' ' SER . . . . . . . . . . . . . 1.4 m -76.27 125.57 29.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 109.983 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 299' ' ' ILE . . . . . 0.436 ' O ' ' CG2' ' A' ' 299' ' ' ILE . 25.7 mt -95.57 22.4 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -40.57 156.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.257 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 301' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -59.5 107.39 0.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 302' ' ' ARG . . . . . . . . . . . . . 9.6 tpp85 -57.44 -30.87 65.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.327 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -58.87 -34.23 71.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 109.294 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 304' ' ' VAL . . . . . . . . . . . . . 30.1 t -72.01 -42.52 68.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 305' ' ' ILE . . . . . 0.472 HG22 ' CD1' ' A' ' 338' ' ' ILE . 1.7 mp -66.36 -40.05 85.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.252 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -66.54 -50.48 63.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.288 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 65.0 t60 -59.4 -48.36 81.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.661 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 308' ' ' ASN . . . . . 0.516 ' CB ' ' CD2' ' A' ' 328' ' ' LEU . 26.4 m-20 -54.83 -38.54 67.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.276 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 309' ' ' LEU . . . . . 0.425 ' CD1' HD21 ' A' ' 324' ' ' LEU . 1.5 tp -62.92 -39.66 95.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 109.345 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 310' ' ' LEU . . . . . . . . . . . . . 22.1 mt -74.09 -42.13 60.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 29.2 m -66.19 -40.98 90.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.014 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -64.24 -26.46 68.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 313' ' ' SER . . . . . 0.533 ' HA ' ' CD2' ' A' ' 361' ' ' PHE . 19.1 t -63.74 -31.2 72.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.028 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 314' ' ' LYS . . . . . . . . . . . . . 5.7 mtmt -107.03 36.6 2.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 12.2 mt -139.65 -63.17 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -100.16 136.86 39.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 317' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -71.76 -39.09 70.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -151.33 135.52 16.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 319' ' ' ILE . . . . . 0.47 ' O ' ' CG2' ' A' ' 359' ' ' VAL . 18.4 tt -146.49 147.16 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.337 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . 15.2 t -91.57 161.87 14.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.416 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 321' ' ' PHE . . . . . 0.541 ' CE2' ' O ' ' A' ' 357' ' ' GLY . 22.3 m-85 -57.61 -35.11 70.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.995 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -62.78 -49.2 75.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -71.21 -47.56 56.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.309 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 324' ' ' LEU . . . . . 0.425 HD21 ' CD1' ' A' ' 309' ' ' LEU . 17.7 tp -57.21 -41.83 80.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . 0.511 ' O ' ' N ' ' A' ' 330' ' ' ILE . . . -74.88 -33.09 56.04 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.468 1.105 . . . . 0.0 111.037 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -70.56 -26.52 63.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 0.758 . . . . 0.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.17 -40.3 52.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 328' ' ' LEU . . . . . 0.516 ' CD2' ' CB ' ' A' ' 308' ' ' ASN . 0.1 OUTLIER -93.31 3.18 56.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.137 . . . . 0.0 109.304 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 329' ' ' GLU . . . . . 0.432 ' HB2' ' O ' ' A' ' 328' ' ' LEU . 3.3 mm-40 67.89 6.79 5.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 110.272 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 330' ' ' ILE . . . . . 0.511 ' N ' ' O ' ' A' ' 325' ' ' GLY . 11.2 pt -96.47 159.71 31.25 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.361 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 331' ' ' PRO . . . . . 0.467 ' HD2' ' CB ' ' A' ' 334' ' ' LYS . 18.2 Cg_endo -75.05 159.04 41.63 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.458 1.768 . . . . 0.0 110.987 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 332' ' ' ALA . . . . . 0.406 ' O ' ' N ' ' A' ' 336' ' ' GLU . . . -58.11 -35.44 71.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.156 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -63.29 -36.13 82.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 334' ' ' LYS . . . . . 0.467 ' CB ' ' HD2' ' A' ' 331' ' ' PRO . 0.0 OUTLIER -75.41 -48.56 22.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 335' ' ' ALA . . . . . 0.517 ' O ' ' CB ' ' A' ' 339' ' ' ALA . . . -64.51 -32.16 73.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 332' ' ' ALA . 4.7 tt0 -71.2 -47.16 59.09 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.135 . . . . 0.0 110.295 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.69 -45.88 81.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 338' ' ' ILE . . . . . 0.472 ' CD1' HG22 ' A' ' 305' ' ' ILE . 79.8 mt -65.63 -46.73 88.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 339' ' ' ALA . . . . . 0.517 ' CB ' ' O ' ' A' ' 335' ' ' ALA . . . -56.2 -45.01 79.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.355 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.41 -43.49 66.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.098 . . . . 0.0 109.98 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -60.07 -41.53 92.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.581 1.176 . . . . 0.0 110.321 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 342' ' ' MET . . . . . 0.423 ' HG3' ' CD2' ' A' ' 309' ' ' LEU . 25.9 mmm -62.85 -46.88 85.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.981 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 343' ' ' ILE . . . . . 0.409 ' CG1' ' HE3' ' A' ' 348' ' ' MET . 65.5 mt -66.33 -40.82 87.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.552 1.158 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 6.7 m -68.58 -28.86 67.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.371 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 345' ' ' GLU . . . . . 0.433 ' OE2' ' NH2' ' A' ' 347' ' ' ARG . 4.1 mt-10 -86.15 -8.12 58.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.301 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 88.49 -19.86 34.03 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 347' ' ' ARG . . . . . 0.433 ' NH2' ' OE2' ' A' ' 345' ' ' GLU . 80.1 mtt180 -45.77 -50.56 13.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 0.724 . . . . 0.0 110.297 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 348' ' ' MET . . . . . 0.409 ' HE3' ' CG1' ' A' ' 343' ' ' ILE . 37.1 ttp -106.33 151.19 25.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 111.028 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -110.37 132.0 54.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.138 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 133.56 -164.2 24.34 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.476 1.11 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 351' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -145.99 154.65 42.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 0.771 . . . . 0.0 110.98 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 11.0 mt -95.2 118.42 41.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 353' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 357' ' ' GLY . 58.8 t0 -82.34 112.22 19.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -82.94 -15.55 50.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.332 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 35.2 mt -71.78 -40.77 69.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.329 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -109.75 -14.97 14.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 357' ' ' GLY . . . . . 0.541 ' O ' ' CE2' ' A' ' 321' ' ' PHE . . . 66.53 34.01 86.35 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.502 1.126 . . . . 0.0 111.028 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 358' ' ' ILE . . . . . 0.418 HG23 ' N ' ' A' ' 359' ' ' VAL . 92.1 mt -118.07 140.33 41.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 0.775 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 359' ' ' VAL . . . . . 0.497 HG23 ' CZ ' ' A' ' 361' ' ' PHE . 31.0 m -83.53 137.81 20.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 360' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -111.86 122.06 46.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.583 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 361' ' ' PHE . . . . . 0.533 ' CD2' ' HA ' ' A' ' 313' ' ' SER . 22.7 m-85 -103.44 156.33 17.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.971 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -83.53 147.27 27.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 110.307 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 363' ' ' THR . . . . . . . . . . . . . 5.0 t -112.28 147.58 35.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.351 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 364' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.17 143.77 52.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 110.298 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 365' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -71.54 74.81 0.79 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.3 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 366' ' ' ALA . . . . . . . . . . . . . . . -42.17 116.8 0.87 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 75.08 -62.57 0.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.01 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 368' ' ' GLY . . . . . . . . . . . . . . . 134.66 97.43 0.57 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.478 1.111 . . . . 0.0 111.039 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 369' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -46.55 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.472 1.775 . . . . 0.0 110.947 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 24.3 p -56.83 150.73 15.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.958 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 371' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 46.43 89.22 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 109.999 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 372' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.541 1.15 . . . . 0.0 110.977 179.952 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 290' ' ' SER . . . . . . . . . . . . . 7.1 t -125.01 -58.41 1.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 0.766 . . . . 0.0 109.985 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 291' ' ' SER . . . . . . . . . . . . . 3.8 m -169.97 -58.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.999 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 292' ' ' GLY . . . . . . . . . . . . . . . -141.32 70.61 0.43 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.524 1.14 . . . . 0.0 111.0 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 293' ' ' SER . . . . . . . . . . . . . 80.8 p -162.53 151.77 15.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 0.753 . . . . 0.0 110.027 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 294' ' ' SER . . . . . . . . . . . . . 2.1 t -52.31 122.87 9.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 110.012 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . -121.09 -87.87 0.98 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.499 1.124 . . . . 0.0 111.036 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 296' ' ' GLY . . . . . . . . . . . . . . . -60.35 133.58 50.36 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 297' ' ' SER . . . . . . . . . . . . . 18.6 m 46.31 86.51 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.462 0.743 . . . . 0.0 109.974 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 298' ' ' SER . . . . . . . . . . . . . 28.2 p -110.39 124.49 51.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 110.009 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 299' ' ' ILE . . . . . . . . . . . . . 13.2 mt -107.61 23.32 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -42.73 107.01 0.07 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 301' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.89 107.68 19.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 302' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.49 -36.92 85.35 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.116 . . . . 0.0 110.313 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -60.95 -39.83 91.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.341 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 304' ' ' VAL . . . . . . . . . . . . . 45.7 t -65.13 -46.48 90.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 305' ' ' ILE . . . . . . . . . . . . . 11.7 mt -59.9 -43.13 91.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 109.288 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -66.76 -46.29 75.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.327 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 18.2 t60 -62.65 -48.95 77.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.662 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 308' ' ' ASN . . . . . 0.429 ' HB3' ' CD2' ' A' ' 328' ' ' LEU . 2.0 m-20 -54.94 -36.88 65.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 309' ' ' LEU . . . . . 0.443 HD21 ' CD2' ' A' ' 324' ' ' LEU . 0.6 OUTLIER -64.5 -40.38 95.53 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 310' ' ' LEU . . . . . . . . . . . . . 20.0 mt -73.92 -41.91 61.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.15 -37.46 81.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.015 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -76.03 -27.77 57.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.341 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 313' ' ' SER . . . . . 0.546 ' HA ' ' CD2' ' A' ' 361' ' ' PHE . 5.2 t -68.27 -21.48 64.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.985 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 314' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.21 -9.09 24.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 2.8 mt -102.11 -79.47 0.52 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -66.24 138.27 57.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 111.013 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 317' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -79.13 -38.04 37.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -151.57 135.37 16.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.442 1.089 . . . . 0.0 109.347 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 319' ' ' ILE . . . . . 0.484 ' O ' ' CG2' ' A' ' 359' ' ' VAL . 16.0 tt -146.66 147.44 17.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.359 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . 12.7 t -95.17 163.93 13.07 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.135 . . . . 0.0 110.402 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 321' ' ' PHE . . . . . 0.478 ' HB3' ' CB ' ' A' ' 332' ' ' ALA . 19.1 m-85 -55.86 -38.72 70.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 111.034 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -60.36 -49.35 77.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 110.285 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -71.98 -46.03 58.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 110.33 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 324' ' ' LEU . . . . . 0.443 ' CD2' HD21 ' A' ' 309' ' ' LEU . 15.5 tp -57.39 -41.44 80.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . 0.492 ' O ' ' N ' ' A' ' 330' ' ' ILE . . . -73.52 -32.53 59.56 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.573 1.171 . . . . 0.0 111.011 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -70.82 -26.95 63.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 0.772 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -76.03 -39.98 54.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 328' ' ' LEU . . . . . 0.429 ' CD2' ' HB3' ' A' ' 308' ' ' ASN . 0.1 OUTLIER -94.26 3.16 55.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 66.17 8.27 5.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 110.297 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 330' ' ' ILE . . . . . 0.492 ' N ' ' O ' ' A' ' 325' ' ' GLY . 7.3 pt -98.16 164.04 18.06 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 331' ' ' PRO . . . . . 0.489 ' HD2' ' HB ' ' A' ' 330' ' ' ILE . 18.3 Cg_endo -74.99 156.48 43.03 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.478 1.778 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 332' ' ' ALA . . . . . 0.502 ' O ' ' CB ' ' A' ' 336' ' ' GLU . . . -58.54 -31.7 68.18 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -65.26 -39.28 92.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.271 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 334' ' ' LYS . . . . . 0.417 ' CG ' HD12 ' A' ' 338' ' ' ILE . 5.3 tptt -74.66 -48.24 27.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 335' ' ' ALA . . . . . 0.505 ' O ' ' CB ' ' A' ' 339' ' ' ALA . . . -65.34 -30.29 71.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . 0.502 ' CB ' ' O ' ' A' ' 332' ' ' ALA . 33.0 tt0 -69.05 -47.43 65.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.571 1.169 . . . . 0.0 110.315 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 37.2 tptt -69.79 -46.17 66.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 338' ' ' ILE . . . . . 0.417 HD12 ' CG ' ' A' ' 334' ' ' LYS . 94.9 mt -61.97 -47.3 93.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.344 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 339' ' ' ALA . . . . . 0.505 ' CB ' ' O ' ' A' ' 335' ' ' ALA . . . -55.99 -44.2 78.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.52 -43.69 66.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.953 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -60.29 -38.0 82.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.288 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 342' ' ' MET . . . . . . . . . . . . . 4.1 mtp -62.66 -46.61 87.38 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 0.0 110.946 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 343' ' ' ILE . . . . . 0.406 ' CG1' ' HB3' ' A' ' 348' ' ' MET . 43.1 mt -65.84 -38.04 81.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 3.0 m -72.72 -26.84 61.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 110.422 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -80.9 -9.01 59.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 90.17 -26.74 9.41 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.469 1.106 . . . . 0.0 111.017 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 347' ' ' ARG . . . . . . . . . . . . . 53.2 mtt-85 -42.9 -55.85 3.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 0.739 . . . . 0.0 110.31 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 348' ' ' MET . . . . . 0.406 ' HB3' ' CG1' ' A' ' 343' ' ' ILE . 1.7 ttp -91.11 -175.57 4.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.969 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -153.2 129.26 10.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 136.51 -157.47 23.61 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.521 1.138 . . . . 0.0 111.006 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 351' ' ' PHE . . . . . 0.733 ' CE2' ' CG ' ' A' ' 360' ' ' HIS . 1.9 p90 -136.32 155.33 50.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 0.78 . . . . 0.0 110.956 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 3.9 mt -105.93 108.78 25.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 109.261 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 353' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 357' ' ' GLY . 3.0 t0 -71.96 111.87 7.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -84.79 -33.94 22.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 0.0 110.334 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 61.9 mt -62.13 -31.87 52.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -110.84 -15.05 13.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.424 1.078 . . . . 0.0 109.293 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 357' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 353' ' ' ASP . . . 65.95 34.14 87.66 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.456 1.098 . . . . 0.0 110.988 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 358' ' ' ILE . . . . . . . . . . . . . 15.3 mt -115.36 160.14 14.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.535 0.785 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 359' ' ' VAL . . . . . 0.564 HG22 ' CZ ' ' A' ' 361' ' ' PHE . 27.0 m -109.2 135.78 47.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.085 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 360' ' ' HIS . . . . . 0.733 ' CG ' ' CE2' ' A' ' 351' ' ' PHE . 11.8 m-70 -104.35 112.42 25.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.594 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 361' ' ' PHE . . . . . 0.564 ' CZ ' HG22 ' A' ' 359' ' ' VAL . 17.5 m-85 -96.25 150.19 20.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -81.02 149.21 29.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.343 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 363' ' ' THR . . . . . . . . . . . . . 1.4 t -110.2 146.84 34.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 110.369 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 364' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.52 144.79 24.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 110.329 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 365' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 59.85 154.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.282 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 366' ' ' ALA . . . . . . . . . . . . . . . 41.55 89.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 109.268 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 38.7 p -162.82 110.35 1.26 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.004 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 368' ' ' GLY . . . . . . . . . . . . . . . 117.88 -145.53 18.49 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.495 1.122 . . . . 0.0 111.01 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 369' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 87.37 1.33 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.514 1.797 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.05 -57.62 8.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.986 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 371' ' ' SER . . . . . . . . . . . . . 41.0 m -121.31 142.76 49.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 110.026 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 372' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.939 0 O-C-N 124.566 1.166 . . . . 0.0 111.019 179.995 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 290' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.2 83.18 3.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 0.776 . . . . 0.0 110.013 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 291' ' ' SER . . . . . . . . . . . . . 1.4 m -157.45 167.22 30.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 110.001 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 292' ' ' GLY . . . . . . . . . . . . . . . -129.21 62.16 0.64 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.541 1.15 . . . . 0.0 111.007 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 293' ' ' SER . . . . . . . . . . . . . 90.9 p -175.33 80.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 0.0 109.972 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 294' ' ' SER . . . . . . . . . . . . . 6.4 t 179.18 114.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.99 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . -59.73 95.19 0.07 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.519 1.137 . . . . 0.0 110.979 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 296' ' ' GLY . . . . . . . . . . . . . . . -171.68 -117.56 0.44 Allowed Glycine 0 CA--C 1.53 1.016 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 297' ' ' SER . . . . . . . . . . . . . 71.8 p -51.35 101.49 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 0.764 . . . . 0.0 110.004 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 298' ' ' SER . . . . . . . . . . . . . 3.6 m -128.1 81.39 2.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.942 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 299' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -118.85 108.61 24.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -121.44 -179.11 3.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 301' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -58.99 107.95 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.275 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 302' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -62.66 -29.92 71.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.295 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -62.16 -35.06 77.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 304' ' ' VAL . . . . . . . . . . . . . 40.1 t -62.98 -46.38 96.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 305' ' ' ILE . . . . . 0.466 HG22 ' CD1' ' A' ' 338' ' ' ILE . 3.3 mt -61.62 -47.22 94.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.341 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -57.78 -47.0 83.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 110.325 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 28.0 t60 -66.56 -48.81 68.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.674 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 308' ' ' ASN . . . . . 0.47 ' HB2' ' CD2' ' A' ' 328' ' ' LEU . 34.6 m-20 -55.46 -38.28 68.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 309' ' ' LEU . . . . . 0.439 ' CD2' ' HA ' ' A' ' 339' ' ' ALA . 1.1 mp -62.91 -38.2 90.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 310' ' ' LEU . . . . . . . . . . . . . 20.2 mt -74.16 -42.1 60.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.263 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 5.1 m -65.72 -45.23 83.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.979 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -67.54 -21.87 65.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.107 . . . . 0.0 109.32 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 313' ' ' SER . . . . . 0.522 ' HA ' ' CG ' ' A' ' 361' ' ' PHE . 27.8 t -74.2 -27.01 60.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.969 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 314' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.37 -7.26 22.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.593 1.183 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 1.5 mt -101.57 -79.14 0.52 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -73.51 135.73 44.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 317' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -74.15 -40.27 62.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -148.13 135.41 20.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 319' ' ' ILE . . . . . 0.477 ' O ' ' CG2' ' A' ' 359' ' ' VAL . 14.0 tt -146.61 147.62 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . 12.6 t -94.92 166.84 11.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 110.405 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 321' ' ' PHE . . . . . 0.484 ' HB3' ' CB ' ' A' ' 332' ' ' ALA . 22.5 m-85 -58.33 -37.28 74.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 110.989 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -61.79 -50.09 73.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.293 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -72.78 -45.19 59.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.279 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 324' ' ' LEU . . . . . 0.5 ' O ' ' CD1' ' A' ' 328' ' ' LEU . 11.5 tp -57.4 -42.36 82.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.243 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . 0.494 ' O ' ' N ' ' A' ' 330' ' ' ILE . . . -74.96 -33.29 55.4 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.456 1.097 . . . . 0.0 111.039 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -64.3 -31.55 72.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 0.766 . . . . 0.0 109.334 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.73 -40.32 55.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 328' ' ' LEU . . . . . 0.5 ' CD1' ' O ' ' A' ' 324' ' ' LEU . 0.1 OUTLIER -87.58 10.57 17.49 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.464 1.102 . . . . 0.0 109.336 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 56.64 17.13 2.94 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 110.314 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 330' ' ' ILE . . . . . 0.494 ' N ' ' O ' ' A' ' 325' ' ' GLY . 2.2 pt -112.55 165.58 12.77 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 331' ' ' PRO . . . . . 0.492 ' HD2' ' CB ' ' A' ' 334' ' ' LYS . 18.1 Cg_endo -75.05 161.23 38.97 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.49 1.784 . . . . 0.0 110.978 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 332' ' ' ALA . . . . . 0.484 ' CB ' ' HB3' ' A' ' 321' ' ' PHE . . . -58.56 -39.15 79.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -60.01 -37.61 80.23 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.454 1.096 . . . . 0.0 109.331 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 334' ' ' LYS . . . . . 0.492 ' CB ' ' HD2' ' A' ' 331' ' ' PRO . 3.3 tptt -73.27 -47.93 38.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 335' ' ' ALA . . . . . 0.407 ' O ' ' CB ' ' A' ' 339' ' ' ALA . . . -64.82 -30.5 71.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 332' ' ' ALA . 29.0 tt0 -70.54 -44.36 67.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.303 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 35.0 tptt -68.47 -46.19 70.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 338' ' ' ILE . . . . . 0.466 ' CD1' HG22 ' A' ' 305' ' ' ILE . 85.3 mt -63.19 -47.13 93.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 339' ' ' ALA . . . . . 0.439 ' HA ' ' CD2' ' A' ' 309' ' ' LEU . . . -56.71 -42.1 78.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 340' ' ' SER . . . . . 0.42 ' N ' HD12 ' A' ' 352' ' ' ILE . 0.3 OUTLIER -71.4 -50.45 31.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.984 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.91 -35.61 75.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 110.307 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 342' ' ' MET . . . . . . . . . . . . . 18.7 mmm -62.54 -47.07 85.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 110.966 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 343' ' ' ILE . . . . . . . . . . . . . 62.8 mt -68.1 -36.87 77.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.477 1.11 . . . . 0.0 109.322 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 6.9 m -66.25 -32.86 74.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.419 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -80.07 -8.69 59.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.275 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 85.68 -12.86 58.23 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.501 1.126 . . . . 0.0 111.016 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 347' ' ' ARG . . . . . . . . . . . . . 9.9 mtp180 -53.64 -47.53 70.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 0.771 . . . . 0.0 110.304 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 33.4 ttp -106.91 147.47 29.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.989 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -110.51 132.12 54.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 137.54 -162.23 25.43 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.449 1.093 . . . . 0.0 110.987 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 351' ' ' PHE . . . . . . . . . . . . . 9.6 p90 -146.11 151.69 38.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 0.776 . . . . 0.0 110.967 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 352' ' ' ILE . . . . . 0.42 HD12 ' N ' ' A' ' 340' ' ' SER . 10.4 mt -94.99 126.97 47.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 353' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 357' ' ' GLY . 59.5 t0 -91.47 110.04 21.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -81.82 -14.81 55.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 110.335 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 24.9 mt -70.17 -42.0 79.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.245 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -110.76 -14.32 14.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 357' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 353' ' ' ASP . . . 69.14 34.12 75.2 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.514 1.134 . . . . 0.0 111.026 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 358' ' ' ILE . . . . . 0.418 HG23 ' N ' ' A' ' 359' ' ' VAL . 74.1 mt -117.76 140.41 41.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.54 0.788 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 359' ' ' VAL . . . . . 0.557 HG21 ' CZ ' ' A' ' 361' ' ' PHE . 30.7 m -81.25 136.18 23.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 360' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -108.76 111.35 23.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.645 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 361' ' ' PHE . . . . . 0.557 ' CZ ' HG21 ' A' ' 359' ' ' VAL . 21.4 m-85 -93.08 155.89 17.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -80.34 139.23 36.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.248 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 363' ' ' THR . . . . . . . . . . . . . 2.3 t -110.19 144.92 38.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.422 1.076 . . . . 0.0 110.426 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 364' ' ' ARG . . . . . 0.437 ' HD2' ' N ' ' A' ' 364' ' ' ARG . 0.1 OUTLIER -44.22 144.59 0.94 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.311 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 365' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -57.93 122.21 12.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.302 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 366' ' ' ALA . . . . . . . . . . . . . . . 67.52 151.88 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 34.7 t -136.57 -63.38 0.63 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 110.033 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 368' ' ' GLY . . . . . . . . . . . . . . . -89.32 -161.78 37.82 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.524 1.14 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 369' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -53.87 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.42 1.747 . . . . 0.0 111.0 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 67.6 m -132.01 120.17 22.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 110.019 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 371' ' ' SER . . . . . . . . . . . . . 15.8 p -62.94 143.27 57.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.977 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 372' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 -179.98 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 290' ' ' SER . . . . . . . . . . . . . 4.5 t -146.17 93.89 2.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 0.791 . . . . 0.0 110.006 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 291' ' ' SER . . . . . . . . . . . . . 13.4 m -118.17 -58.2 2.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 109.99 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 292' ' ' GLY . . . . . . . . . . . . . . . 50.6 95.27 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.516 1.135 . . . . 0.0 111.016 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 293' ' ' SER . . . . . . . . . . . . . 31.7 p -115.65 161.14 19.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 0.769 . . . . 0.0 109.997 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 294' ' ' SER . . . . . . . . . . . . . 16.6 t -174.67 85.65 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 109.989 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 161.64 -120.2 0.93 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.481 1.113 . . . . 0.0 111.01 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 296' ' ' GLY . . . . . . . . . . . . . . . 163.24 -110.01 0.41 Allowed Glycine 0 CA--C 1.531 1.04 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 297' ' ' SER . . . . . . . . . . . . . 34.4 p -157.5 115.34 3.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 0.789 . . . . 0.0 110.021 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 298' ' ' SER . . . . . 0.437 ' C ' ' N ' ' A' ' 300' ' ' LEU . 0.5 OUTLIER -172.21 98.36 0.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.967 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 299' ' ' ILE . . . . . 0.51 ' O ' ' CG2' ' A' ' 299' ' ' ILE . 2.8 mp 39.9 30.29 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 300' ' ' LEU . . . . . 0.437 ' N ' ' C ' ' A' ' 298' ' ' SER . 0.1 OUTLIER -145.97 113.17 6.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.255 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 301' ' ' ASP . . . . . 0.46 ' CB ' HG22 ' A' ' 304' ' ' VAL . 0.7 OUTLIER -96.9 107.36 19.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.342 179.931 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 302' ' ' ARG . . . . . 0.424 ' NH1' ' HE2' ' A' ' 334' ' ' LYS . 0.2 OUTLIER -68.71 -32.33 72.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 110.324 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -71.23 -36.46 71.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 304' ' ' VAL . . . . . 0.46 HG22 ' CB ' ' A' ' 301' ' ' ASP . 47.8 t -66.47 -46.69 85.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 305' ' ' ILE . . . . . 0.451 HG23 ' CD1' ' A' ' 338' ' ' ILE . 7.6 mt -60.13 -43.37 92.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 306' ' ' GLU . . . . . 0.445 ' OE2' ' NH1' ' A' ' 347' ' ' ARG . 1.7 mt-10 -59.83 -48.54 81.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.34 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 23.5 t60 -66.72 -49.89 64.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.637 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 308' ' ' ASN . . . . . 0.48 ' HB3' ' CD2' ' A' ' 328' ' ' LEU . 3.9 m-80 -55.3 -36.75 66.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 309' ' ' LEU . . . . . 0.447 HD22 ' CD2' ' A' ' 324' ' ' LEU . 1.3 mt -65.19 -40.93 94.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.082 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 310' ' ' LEU . . . . . . . . . . . . . 20.4 mt -74.07 -42.04 60.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.273 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.51 -42.42 82.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.028 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -67.09 -22.1 65.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 313' ' ' SER . . . . . 0.524 ' HA ' ' CG ' ' A' ' 361' ' ' PHE . 28.7 t -73.94 -33.39 63.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.997 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 314' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -90.41 -8.85 49.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 4.3 mt -99.15 -77.99 0.51 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -74.94 134.97 41.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 317' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -70.62 -43.08 70.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.086 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -150.88 135.33 17.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 319' ' ' ILE . . . . . . . . . . . . . 16.4 tt -146.74 147.21 18.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . 12.3 t -89.21 167.08 13.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.367 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 321' ' ' PHE . . . . . 0.474 ' CB ' ' CB ' ' A' ' 332' ' ' ALA . 36.3 m-85 -61.72 -35.36 77.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.956 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -62.14 -49.16 76.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.277 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -71.62 -47.0 57.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 110.29 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 324' ' ' LEU . . . . . 0.447 ' CD2' HD22 ' A' ' 309' ' ' LEU . 21.0 tp -57.2 -41.9 80.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . 0.488 ' O ' ' N ' ' A' ' 330' ' ' ILE . . . -73.09 -32.59 60.34 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.514 1.134 . . . . 0.0 111.028 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -68.52 -28.6 67.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 0.791 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.0 -41.83 49.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 328' ' ' LEU . . . . . 0.48 ' CD2' ' HB3' ' A' ' 308' ' ' ASN . 0.2 OUTLIER -89.34 3.27 52.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 109.312 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 64.74 10.56 6.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 330' ' ' ILE . . . . . 0.488 ' N ' ' O ' ' A' ' 325' ' ' GLY . 3.4 pt -103.56 163.14 18.03 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 331' ' ' PRO . . . . . 0.418 ' HD2' ' HB ' ' A' ' 330' ' ' ILE . 18.3 Cg_endo -74.98 158.32 42.33 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.487 1.783 . . . . 0.0 110.985 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 332' ' ' ALA . . . . . 0.474 ' CB ' ' CB ' ' A' ' 321' ' ' PHE . . . -58.53 -40.6 83.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.36 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -58.21 -35.07 71.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 334' ' ' LYS . . . . . 0.424 ' HE2' ' NH1' ' A' ' 302' ' ' ARG . 9.7 tptm -75.33 -48.01 25.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 335' ' ' ALA . . . . . 0.516 ' O ' ' CB ' ' A' ' 339' ' ' ALA . . . -63.97 -32.59 74.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 332' ' ' ALA . 12.1 tt0 -68.28 -47.28 68.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.309 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 6.1 tppt? -63.52 -45.3 91.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.348 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 338' ' ' ILE . . . . . 0.451 ' CD1' HG23 ' A' ' 305' ' ' ILE . 70.0 mt -68.83 -44.61 81.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 339' ' ' ALA . . . . . 0.516 ' CB ' ' O ' ' A' ' 335' ' ' ALA . . . -56.67 -44.86 81.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.07 -40.77 71.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.026 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -61.65 -37.86 85.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.331 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 342' ' ' MET . . . . . . . . . . . . . 8.4 mtp -62.88 -46.93 85.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 111.028 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 343' ' ' ILE . . . . . . . . . . . . . 55.0 mt -68.04 -34.27 65.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.107 . . . . 0.0 109.28 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -71.17 -31.52 67.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.434 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -83.6 -8.96 59.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.322 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 88.18 -19.98 32.15 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.514 1.134 . . . . 0.0 111.0 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 347' ' ' ARG . . . . . 0.445 ' NH1' ' OE2' ' A' ' 306' ' ' GLU . 78.2 mtt180 -44.46 -51.06 9.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 0.771 . . . . 0.0 110.338 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 29.8 ttp -103.44 151.05 23.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.974 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -113.78 132.01 56.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.267 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 134.86 -159.94 24.11 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.498 1.124 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 351' ' ' PHE . . . . . . . . . . . . . 9.6 p90 -146.14 164.74 31.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 0.733 . . . . 0.0 111.006 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 17.7 mt -104.29 125.03 59.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.336 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 353' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -88.67 110.03 20.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.125 . . . . 0.0 109.252 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -83.01 -16.45 47.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 14.4 mt -69.99 -41.67 79.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.27 -13.3 14.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 357' ' ' GLY . . . . . 0.423 ' O ' ' CE2' ' A' ' 321' ' ' PHE . . . 67.45 29.65 74.33 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.563 1.164 . . . . 0.0 111.019 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 358' ' ' ILE . . . . . . . . . . . . . 70.9 mt -112.64 145.32 18.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.499 0.764 . . . . 0.0 109.275 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 359' ' ' VAL . . . . . 0.537 HG12 ' CE1' ' A' ' 361' ' ' PHE . 71.2 t -87.72 128.56 40.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 360' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -98.06 110.96 23.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.574 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 361' ' ' PHE . . . . . 0.537 ' CE1' HG12 ' A' ' 359' ' ' VAL . 16.4 m-85 -94.11 150.21 20.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 111.017 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -105.97 152.31 23.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 110.284 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 363' ' ' THR . . . . . . . . . . . . . 1.7 t -91.26 147.1 23.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.413 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 364' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.52 150.59 47.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.316 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 365' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -104.23 133.92 48.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.318 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 366' ' ' ALA . . . . . . . . . . . . . . . -140.8 177.82 7.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.21 89.98 5.7 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 109.975 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 368' ' ' GLY . . . . . . . . . . . . . . . 144.76 157.16 7.1 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.532 1.145 . . . . 0.0 111.014 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 369' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 156.22 43.0 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.505 1.792 . . . . 0.0 111.062 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.95 123.85 44.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.975 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 371' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -100.49 -60.48 1.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.045 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 372' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 179.949 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 290' ' ' SER . . . . . . . . . . . . . 13.1 t -179.36 143.6 0.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 0.77 . . . . 0.0 109.988 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 291' ' ' SER . . . . . . . . . . . . . 1.1 t 62.03 160.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.996 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 292' ' ' GLY . . . . . . . . . . . . . . . -94.47 -133.32 6.99 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.486 1.116 . . . . 0.0 111.027 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 293' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 177.68 77.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 0.762 . . . . 0.0 109.987 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 294' ' ' SER . . . . . . . . . . . . . 2.5 m 53.55 172.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.983 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . -69.66 162.92 52.1 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.446 1.091 . . . . 0.0 110.977 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 296' ' ' GLY . . . . . . . . . . . . . . . 69.8 90.33 0.08 OUTLIER Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 297' ' ' SER . . . . . . . . . . . . . 47.0 p -171.34 -173.94 1.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 0.755 . . . . 0.0 109.971 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 298' ' ' SER . . . . . . . . . . . . . 3.3 m -77.69 81.88 4.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.952 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 299' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -117.01 108.29 24.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 300' ' ' LEU . . . . . 0.439 ' CD2' ' C ' ' A' ' 300' ' ' LEU . 0.0 OUTLIER -44.27 161.59 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 301' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.86 107.37 0.52 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 109.357 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 302' ' ' ARG . . . . . . . . . . . . . 13.8 tpp180 -58.07 -30.94 66.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.276 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -58.81 -34.02 71.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 304' ' ' VAL . . . . . . . . . . . . . 25.0 t -71.19 -43.65 74.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 305' ' ' ILE . . . . . 0.457 ' CG2' HG21 ' A' ' 338' ' ' ILE . 1.6 mp -63.76 -40.06 87.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -69.56 -50.74 41.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 110.285 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 60.8 t60 -59.16 -48.6 81.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 109.584 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 308' ' ' ASN . . . . . 0.479 ' CB ' HD21 ' A' ' 328' ' ' LEU . 99.0 m-20 -55.13 -39.88 69.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 309' ' ' LEU . . . . . 0.467 ' CD1' HD12 ' A' ' 328' ' ' LEU . 1.1 tp -62.78 -42.19 99.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 310' ' ' LEU . . . . . . . . . . . . . 18.8 mt -71.8 -35.37 69.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.92 -44.82 63.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.998 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -61.58 -27.9 68.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 313' ' ' SER . . . . . 0.563 ' HA ' ' CD1' ' A' ' 361' ' ' PHE . 43.2 t -65.11 -45.0 86.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.02 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 314' ' ' LYS . . . . . . . . . . . . . 4.8 mttp -101.58 36.67 1.98 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.256 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 9.0 mt -138.63 -62.95 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -93.5 153.23 18.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 110.982 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 317' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -88.28 -41.22 13.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -153.45 135.69 14.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 319' ' ' ILE . . . . . 0.45 ' CG2' HD11 ' A' ' 324' ' ' LEU . 17.7 tt -146.52 144.37 20.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . 81.1 p -88.45 160.67 17.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.43 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 321' ' ' PHE . . . . . 0.442 ' CB ' ' HB3' ' A' ' 332' ' ' ALA . 52.8 m-85 -55.81 -35.01 65.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 111.016 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -66.31 -49.08 68.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 110.274 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -70.73 -43.81 68.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.34 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 324' ' ' LEU . . . . . 0.465 ' CD2' HD13 ' A' ' 328' ' ' LEU . 1.1 tt -57.15 -44.14 83.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . 0.493 ' O ' ' N ' ' A' ' 330' ' ' ILE . . . -68.62 -32.48 74.74 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.514 1.134 . . . . 0.0 110.996 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -71.39 -25.86 62.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 0.78 . . . . 0.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 1.2 tp -75.94 -38.25 57.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.16 . . . . 0.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 328' ' ' LEU . . . . . 0.479 HD21 ' CB ' ' A' ' 308' ' ' ASN . 0.1 OUTLIER -95.78 4.46 52.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 65.36 9.19 5.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.283 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 330' ' ' ILE . . . . . 0.493 ' N ' ' O ' ' A' ' 325' ' ' GLY . 4.0 pt -103.24 164.5 15.35 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.261 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 331' ' ' PRO . . . . . 0.456 ' HD2' ' HB ' ' A' ' 330' ' ' ILE . 18.3 Cg_endo -74.95 160.35 40.4 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.479 1.778 . . . . 0.0 111.049 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 332' ' ' ALA . . . . . 0.442 ' HB3' ' CB ' ' A' ' 321' ' ' PHE . . . -58.35 -39.34 79.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -59.39 -36.77 76.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 334' ' ' LYS . . . . . 0.527 ' O ' ' CG1' ' A' ' 338' ' ' ILE . 2.1 tptt -74.52 -48.1 29.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 335' ' ' ALA . . . . . 0.453 ' O ' ' CB ' ' A' ' 339' ' ' ALA . . . -63.21 -32.07 73.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 332' ' ' ALA . 6.5 tt0 -71.69 -47.24 55.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.286 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.78 -45.59 67.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 338' ' ' ILE . . . . . 0.527 ' CG1' ' O ' ' A' ' 334' ' ' LYS . 1.7 mm -61.27 -47.75 92.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 339' ' ' ALA . . . . . 0.453 ' CB ' ' O ' ' A' ' 335' ' ' ALA . . . -57.68 -44.32 85.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.62 -40.67 73.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.975 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.29 -41.01 96.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.32 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 342' ' ' MET . . . . . 0.463 ' HG3' ' CD2' ' A' ' 309' ' ' LEU . 46.7 mmm -63.94 -48.92 74.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 111.004 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 343' ' ' ILE . . . . . . . . . . . . . 45.8 mt -63.54 -39.57 85.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 2.2 m -66.47 -26.99 67.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.388 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -87.73 -8.91 55.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 110.297 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 90.55 -29.31 6.82 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.521 1.138 . . . . 0.0 110.996 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 347' ' ' ARG . . . . . . . . . . . . . 13.4 mtp180 -39.1 -44.2 1.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 0.758 . . . . 0.0 110.27 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 23.1 ttp -110.35 154.33 23.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.979 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -121.08 132.07 54.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.265 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 139.65 -164.8 25.97 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.535 1.147 . . . . 0.0 110.982 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 351' ' ' PHE . . . . . . . . . . . . . 26.7 p90 -146.12 164.04 33.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 0.769 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 22.5 mt -107.06 121.6 60.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 353' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -85.86 109.84 18.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -84.46 -19.87 32.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.287 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 5.7 mm -64.54 -42.22 94.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.342 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -108.01 -14.97 14.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . 70.9 33.52 65.85 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.513 1.133 . . . . 0.0 111.012 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 358' ' ' ILE . . . . . . . . . . . . . 86.1 mt -114.11 149.06 16.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 0.742 . . . . 0.0 109.321 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 359' ' ' VAL . . . . . . . . . . . . . 51.1 t -92.43 119.54 40.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 360' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -85.52 110.94 19.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.573 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 361' ' ' PHE . . . . . 0.563 ' CD1' ' HA ' ' A' ' 313' ' ' SER . 4.7 m-85 -99.84 146.57 26.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -79.99 133.69 36.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.274 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 363' ' ' THR . . . . . . . . . . . . . 1.2 t -112.03 147.07 36.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.367 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 364' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -71.65 130.28 40.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 110.281 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 365' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -53.81 133.62 42.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.311 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 366' ' ' ALA . . . . . . . . . . . . . . . -52.86 121.54 7.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 109.256 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 177.1 147.99 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.137 . . . . 0.0 109.988 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 368' ' ' GLY . . . . . . . . . . . . . . . -38.02 157.39 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.555 1.159 . . . . 0.0 110.981 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 369' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 82.8 1.94 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.461 1.769 . . . . 0.0 110.998 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 33.9 p -91.6 136.69 32.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 110.009 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 371' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 42.42 81.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.999 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 372' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 O-C-N 124.542 1.152 . . . . 0.0 110.98 179.978 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 290' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.23 88.51 1.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 0.778 . . . . 0.0 110.008 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 291' ' ' SER . . . . . . . . . . . . . 26.1 t -179.11 152.35 0.55 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.994 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 292' ' ' GLY . . . . . . . . . . . . . . . -148.17 59.33 0.46 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.53 1.144 . . . . 0.0 111.005 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 293' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -172.39 122.01 0.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 0.759 . . . . 0.0 110.016 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 294' ' ' SER . . . . . . . . . . . . . 53.4 p -147.99 146.89 29.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.009 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 74.2 -169.53 53.87 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.547 1.155 . . . . 0.0 110.97 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 296' ' ' GLY . . . . . . . . . . . . . . . 127.71 87.31 0.57 Allowed Glycine 0 CA--C 1.531 1.039 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 297' ' ' SER . . . . . . . . . . . . . 1.3 p -111.63 -9.06 14.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 0.763 . . . . 0.0 110.015 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 298' ' ' SER . . . . . . . . . . . . . 5.1 t -88.68 152.02 22.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.97 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 299' ' ' ILE . . . . . . . . . . . . . 3.4 mp -110.75 29.12 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 300' ' ' LEU . . . . . 0.463 HD12 ' CD1' ' A' ' 305' ' ' ILE . 0.1 OUTLIER -148.61 117.06 6.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 301' ' ' ASP . . . . . 0.481 ' O ' ' CD1' ' A' ' 305' ' ' ILE . 29.2 m-20 -97.15 107.15 19.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 302' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.52 -27.6 64.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.28 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -69.78 -44.06 70.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 304' ' ' VAL . . . . . 0.465 HG23 ' CB ' ' A' ' 301' ' ' ASP . 97.6 t -62.85 -46.37 96.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 305' ' ' ILE . . . . . 0.481 ' CD1' ' O ' ' A' ' 301' ' ' ASP . 5.1 mt -65.49 -42.24 92.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.256 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -63.91 -42.71 97.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.31 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 14.5 t60 -71.19 -49.6 42.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.574 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 308' ' ' ASN . . . . . 0.473 ' CB ' HD22 ' A' ' 328' ' ' LEU . 7.1 m-80 -54.82 -34.86 63.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 109.33 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 309' ' ' LEU . . . . . 0.449 ' CD2' HD22 ' A' ' 324' ' ' LEU . 2.2 mt -67.25 -41.35 85.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 310' ' ' LEU . . . . . 0.431 ' HG ' ' CE ' ' A' ' 342' ' ' MET . 16.1 mt -73.97 -40.93 62.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.52 -40.95 76.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.583 1.177 . . . . 0.0 110.033 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 312' ' ' ALA . . . . . 0.426 ' CB ' ' O ' ' A' ' 308' ' ' ASN . . . -61.12 -31.87 71.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 313' ' ' SER . . . . . . . . . . . . . 30.6 t -61.07 -38.81 87.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.998 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 314' ' ' LYS . . . . . . . . . . . . . 34.2 mtmt -100.16 35.32 2.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.082 . . . . 0.0 109.315 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 8.8 mt -140.96 -49.08 0.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.289 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 316' ' ' TYR . . . . . 0.427 ' N ' ' CD1' ' A' ' 316' ' ' TYR . 8.9 m-85 -109.72 151.63 26.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.972 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 317' ' ' ASN . . . . . 0.404 ' O ' ' ND2' ' A' ' 318' ' ' ASN . 15.5 m-20 -84.79 -46.46 11.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 318' ' ' ASN . . . . . 0.404 ' ND2' ' O ' ' A' ' 317' ' ' ASN . 0.4 OUTLIER -149.76 135.79 18.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.137 . . . . 0.0 109.315 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 319' ' ' ILE . . . . . . . . . . . . . 19.7 tt -146.3 145.79 19.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.29 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . 9.7 t -88.12 164.32 15.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.41 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 321' ' ' PHE . . . . . 0.467 ' HB3' ' CB ' ' A' ' 332' ' ' ALA . 52.1 m-85 -58.23 -38.45 76.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.979 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -60.44 -49.35 77.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.272 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -72.22 -43.36 64.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 110.32 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 324' ' ' LEU . . . . . 0.509 ' O ' ' CD1' ' A' ' 328' ' ' LEU . 12.3 tp -57.46 -42.46 82.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.254 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . 0.477 ' O ' ' N ' ' A' ' 330' ' ' ILE . . . -74.26 -32.73 57.82 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.507 1.129 . . . . 0.0 111.015 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -66.51 -30.34 70.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 0.756 . . . . 0.0 109.314 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.49 -41.47 55.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 328' ' ' LEU . . . . . 0.509 ' CD1' ' O ' ' A' ' 324' ' ' LEU . 0.1 OUTLIER -87.75 3.82 46.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 63.37 11.99 5.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 110.283 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 330' ' ' ILE . . . . . 0.477 ' N ' ' O ' ' A' ' 325' ' ' GLY . 2.0 pt -107.65 165.03 13.51 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 331' ' ' PRO . . . . . 0.439 ' HD2' ' HB ' ' A' ' 330' ' ' ILE . 18.5 Cg_endo -74.93 158.61 42.35 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.514 1.797 . . . . 0.0 111.017 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 332' ' ' ALA . . . . . 0.467 ' CB ' ' HB3' ' A' ' 321' ' ' PHE . . . -58.7 -35.57 72.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -62.27 -37.77 86.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.341 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 334' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.86 -48.2 26.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 335' ' ' ALA . . . . . 0.508 ' O ' ' CB ' ' A' ' 339' ' ' ALA . . . -63.95 -30.7 71.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -70.9 -47.23 60.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.272 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 9.0 tptt -66.44 -45.87 78.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 338' ' ' ILE . . . . . 0.441 HG22 ' CD1' ' A' ' 309' ' ' LEU . 87.1 mt -64.7 -46.72 91.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 339' ' ' ALA . . . . . 0.508 ' CB ' ' O ' ' A' ' 335' ' ' ALA . . . -56.88 -43.78 81.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.341 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.33 -43.72 66.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.016 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -59.74 -37.87 80.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.278 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 342' ' ' MET . . . . . 0.431 ' CE ' ' HG ' ' A' ' 310' ' ' LEU . 2.8 mmm -65.59 -37.64 87.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 111.024 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 343' ' ' ILE . . . . . . . . . . . . . 34.3 mt -68.14 -49.13 70.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 1.2 m -62.35 -30.56 71.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 110.356 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -79.88 -9.4 59.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 110.281 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 89.18 -27.75 7.29 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.518 1.136 . . . . 0.0 110.985 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 347' ' ' ARG . . . . . . . . . . . . . 24.0 mtt85 -38.71 -56.92 1.27 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.508 0.769 . . . . 0.0 110.279 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 348' ' ' MET . . . . . 0.43 ' HG2' ' N ' ' A' ' 349' ' ' ASN . 12.7 ttm -100.39 143.91 30.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 111.006 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 349' ' ' ASN . . . . . 0.43 ' N ' ' HG2' ' A' ' 348' ' ' MET . 1.4 t30 -113.13 131.22 55.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 142.24 -160.43 27.21 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 351' ' ' PHE . . . . . . . . . . . . . 20.3 p90 -146.11 149.21 33.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 0.745 . . . . 0.0 111.031 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 10.1 mt -94.64 117.5 38.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.37 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 353' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -80.4 110.03 15.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -82.69 -18.34 41.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 6.2 mm -67.64 -40.43 84.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -108.92 -15.02 14.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.285 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 357' ' ' GLY . . . . . 0.454 ' O ' ' CE2' ' A' ' 321' ' ' PHE . . . 68.97 33.05 73.91 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.49 1.119 . . . . 0.0 111.011 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 358' ' ' ILE . . . . . . . . . . . . . 94.8 mt -113.65 148.07 16.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 0.77 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 359' ' ' VAL . . . . . 0.446 HG13 ' CE1' ' A' ' 361' ' ' PHE . 58.0 t -92.86 133.18 34.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.337 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 360' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -108.83 110.85 22.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 109.599 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 361' ' ' PHE . . . . . 0.446 ' CE1' HG13 ' A' ' 359' ' ' VAL . 16.9 m-85 -95.16 153.83 17.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 110.979 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -113.34 146.29 39.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 110.281 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 363' ' ' THR . . . . . . . . . . . . . 33.4 p -85.9 138.09 32.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.385 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 364' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.37 63.89 1.5 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 365' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -153.91 162.81 40.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.289 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 366' ' ' ALA . . . . . . . . . . . . . . . -59.52 -58.02 10.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.25 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 60.75 162.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 110.018 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 368' ' ' GLY . . . . . . . . . . . . . . . 115.41 80.31 0.86 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.48 1.112 . . . . 0.0 110.991 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 369' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -53.37 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.471 1.774 . . . . 0.0 111.01 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -142.38 103.76 4.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.996 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 371' ' ' SER . . . . . . . . . . . . . 30.0 p -169.82 170.11 8.01 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 0.0 110.013 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 372' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.507 1.129 . . . . 0.0 110.984 -179.976 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 290' ' ' SER . . . . . . . . . . . . . 1.4 t -103.65 107.39 18.22 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.438 0.728 . . . . 0.0 109.975 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 291' ' ' SER . . . . . . . . . . . . . 16.5 m -129.26 99.44 5.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.986 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 292' ' ' GLY . . . . . . . . . . . . . . . 148.92 -73.78 0.28 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.462 1.101 . . . . 0.0 111.02 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 293' ' ' SER . . . . . . . . . . . . . 14.0 m -85.99 102.23 13.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 0.75 . . . . 0.0 109.968 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 294' ' ' SER . . . . . . . . . . . . . 38.9 m -71.64 146.23 48.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.967 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 167.89 132.68 1.44 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.51 1.131 . . . . 0.0 110.957 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 296' ' ' GLY . . . . . . . . . . . . . . . 80.23 -124.6 6.54 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 297' ' ' SER . . . . . . . . . . . . . 77.4 p -51.0 126.35 16.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 0.769 . . . . 0.0 110.012 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 298' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.16 119.87 32.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.002 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 299' ' ' ILE . . . . . 0.402 ' O ' ' C ' ' A' ' 300' ' ' LEU . 5.0 mm -93.25 34.7 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 300' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 299' ' ' ILE . 1.7 pt? -40.18 111.48 0.2 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.565 1.166 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 301' ' ' ASP . . . . . 0.419 ' HB3' ' CG2' ' A' ' 304' ' ' VAL . 0.1 OUTLIER -96.99 107.52 20.06 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 302' ' ' ARG . . . . . 0.402 ' NH1' ' HE3' ' A' ' 334' ' ' LYS . 0.0 OUTLIER -58.58 -35.68 72.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 110.324 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -65.0 -35.09 80.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 304' ' ' VAL . . . . . 0.419 ' CG2' ' HB3' ' A' ' 301' ' ' ASP . 41.4 t -65.53 -46.44 89.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 305' ' ' ILE . . . . . 0.423 HG22 ' CD1' ' A' ' 328' ' ' LEU . 4.8 mt -65.8 -42.99 93.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 306' ' ' GLU . . . . . 0.414 ' O ' ' CE ' ' A' ' 342' ' ' MET . 10.3 mt-10 -57.76 -42.95 85.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.281 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 45.7 t60 -71.04 -42.58 69.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.586 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 308' ' ' ASN . . . . . 0.474 ' HB2' ' CD2' ' A' ' 328' ' ' LEU . 84.3 m-20 -54.98 -41.44 71.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.297 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 309' ' ' LEU . . . . . 0.477 ' CD2' ' HA ' ' A' ' 339' ' ' ALA . 1.8 mp -62.96 -37.5 87.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 310' ' ' LEU . . . . . . . . . . . . . 34.8 mt -69.61 -38.48 77.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.13 -44.9 52.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.0 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -62.03 -22.9 66.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 109.268 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 313' ' ' SER . . . . . 0.451 ' HB2' ' CD1' ' A' ' 361' ' ' PHE . 20.3 t -72.18 -44.57 62.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.012 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 314' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.72 -7.79 59.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 2.9 mt -102.13 -84.43 0.45 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.328 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -66.77 146.58 54.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 317' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -85.45 -38.92 18.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -157.45 135.77 11.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 319' ' ' ILE . . . . . 0.454 ' CD1' ' HA ' ' A' ' 324' ' ' LEU . 4.5 tt -146.51 146.66 18.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.086 . . . . 0.0 109.3 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . 60.0 p -88.08 162.77 16.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.409 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 321' ' ' PHE . . . . . 0.465 ' CB ' ' HB3' ' A' ' 332' ' ' ALA . 51.2 m-85 -56.6 -39.18 73.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 111.008 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -61.68 -48.88 78.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.302 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -71.41 -45.12 63.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.308 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 324' ' ' LEU . . . . . 0.467 ' CD2' HD11 ' A' ' 328' ' ' LEU . 3.0 tt -57.19 -43.44 82.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . 0.468 ' CA ' ' O ' ' A' ' 330' ' ' ILE . . . -69.17 -32.35 72.58 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.536 1.147 . . . . 0.0 110.995 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -71.31 -26.64 62.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 0.772 . . . . 0.0 109.34 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -75.45 -38.64 59.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 109.334 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 328' ' ' LEU . . . . . 0.474 ' CD2' ' HB2' ' A' ' 308' ' ' ASN . 0.1 OUTLIER -93.49 -0.72 56.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 71.31 4.7 5.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.575 1.172 . . . . 0.0 110.297 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 330' ' ' ILE . . . . . 0.468 ' O ' ' CA ' ' A' ' 325' ' ' GLY . 4.1 pt -99.87 163.45 18.39 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 331' ' ' PRO . . . . . 0.444 ' HD2' ' HB ' ' A' ' 330' ' ' ILE . 18.5 Cg_endo -74.97 159.48 41.41 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.544 1.813 . . . . 0.0 111.041 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 332' ' ' ALA . . . . . 0.465 ' HB3' ' CB ' ' A' ' 321' ' ' PHE . . . -58.78 -34.28 71.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -63.61 -38.25 90.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 334' ' ' LYS . . . . . 0.435 ' CB ' ' HD2' ' A' ' 331' ' ' PRO . 12.7 tptt -74.59 -47.77 30.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 335' ' ' ALA . . . . . 0.403 ' O ' ' CB ' ' A' ' 339' ' ' ALA . . . -64.1 -32.72 74.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -69.04 -45.5 70.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.31 -46.01 74.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 338' ' ' ILE . . . . . . . . . . . . . 90.4 mt -63.51 -47.43 91.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.36 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 339' ' ' ALA . . . . . 0.477 ' HA ' ' CD2' ' A' ' 309' ' ' LEU . . . -56.87 -43.0 80.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.46 -46.73 59.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.941 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.81 -36.78 77.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 110.319 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 342' ' ' MET . . . . . 0.414 ' CE ' ' O ' ' A' ' 306' ' ' GLU . 28.4 mmm -62.76 -49.01 76.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 111.04 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 343' ' ' ILE . . . . . 0.472 HD11 ' CE ' ' A' ' 348' ' ' MET . 69.2 mt -68.15 -32.96 58.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 1.1 m -69.6 -31.61 69.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.395 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -86.79 -9.02 56.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 0.0 110.309 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 89.09 -22.6 21.9 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.507 1.13 . . . . 0.0 111.028 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 347' ' ' ARG . . . . . . . . . . . . . 79.3 mtt-85 -42.95 -37.59 1.93 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 0.781 . . . . 0.0 110.309 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 348' ' ' MET . . . . . 0.472 ' CE ' HD11 ' A' ' 343' ' ' ILE . 41.1 ttp -118.83 143.68 46.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.957 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -106.14 132.95 51.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 133.38 -165.72 24.01 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.519 1.137 . . . . 0.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 351' ' ' PHE . . . . . . . . . . . . . 23.9 p90 -146.08 162.61 37.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 0.751 . . . . 0.0 111.026 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 29.7 mt -101.03 117.84 46.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 353' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -80.83 109.8 15.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.128 . . . . 0.0 109.323 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -87.71 -15.73 36.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.308 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 14.3 mt -69.54 -39.31 78.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -108.67 -14.58 14.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . 71.2 31.42 66.34 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.495 1.122 . . . . 0.0 111.046 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 358' ' ' ILE . . . . . . . . . . . . . 27.9 mt -115.92 147.89 19.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.476 0.751 . . . . 0.0 109.249 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 359' ' ' VAL . . . . . . . . . . . . . 53.5 t -89.56 125.36 42.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.546 1.154 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 360' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -93.13 110.97 22.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.622 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 361' ' ' PHE . . . . . 0.451 ' CD1' ' HB2' ' A' ' 313' ' ' SER . 9.3 m-85 -97.6 151.97 19.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 111.029 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 362' ' ' GLU . . . . . 0.408 ' OE1' ' CA ' ' A' ' 362' ' ' GLU . 4.1 tp10 -108.54 146.34 33.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 363' ' ' THR . . . . . . . . . . . . . 1.6 t -104.29 147.03 27.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 110.385 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 364' ' ' ARG . . . . . . . . . . . . . 2.3 mtt-85 -106.01 147.5 28.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.31 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 365' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.71 105.24 1.2 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.107 . . . . 0.0 110.297 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 366' ' ' ALA . . . . . . . . . . . . . . . -119.37 167.18 12.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.73 -57.78 1.98 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 110.025 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 368' ' ' GLY . . . . . . . . . . . . . . . -163.25 170.5 38.71 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.461 1.101 . . . . 0.0 110.989 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 369' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 135.37 18.96 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.477 1.777 . . . . 0.0 111.022 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -87.5 140.89 29.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.98 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 371' ' ' SER . . . . . . . . . . . . . 33.4 t -178.35 -58.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.99 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 372' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.507 1.129 . . . . 0.0 110.95 -179.993 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 290' ' ' SER . . . . . . . . . . . . . 34.0 t -138.87 109.73 6.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 0.789 . . . . 0.0 109.963 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 291' ' ' SER . . . . . . . . . . . . . 3.5 t 56.91 164.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.98 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 292' ' ' GLY . . . . . . . . . . . . . . . 110.84 -115.71 4.08 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.488 1.117 . . . . 0.0 110.99 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 293' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 54.63 86.19 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.423 0.719 . . . . 0.0 109.962 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 294' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 69.79 -83.59 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.999 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 63.0 -155.91 41.74 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.456 1.098 . . . . 0.0 111.021 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 296' ' ' GLY . . . . . . . . . . . . . . . -106.86 -111.26 3.55 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 297' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.49 106.69 0.15 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 0.785 . . . . 0.0 109.979 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 298' ' ' SER . . . . . . . . . . . . . 3.5 m -132.42 84.5 2.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.979 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 299' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -122.44 108.06 20.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 300' ' ' LEU . . . . . 0.424 ' CD2' ' C ' ' A' ' 300' ' ' LEU . 0.0 OUTLIER -111.33 156.83 20.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 109.321 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 301' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -58.94 107.37 0.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.349 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 302' ' ' ARG . . . . . 0.467 ' CZ ' HG12 ' A' ' 338' ' ' ILE . 0.4 OUTLIER -58.23 -31.92 67.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -59.0 -33.6 70.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 304' ' ' VAL . . . . . . . . . . . . . 46.1 t -69.79 -45.63 76.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 305' ' ' ILE . . . . . 0.477 ' CD1' ' N ' ' A' ' 305' ' ' ILE . 1.4 mp -59.51 -40.08 80.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -69.68 -48.4 59.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.283 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -58.94 -49.19 78.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.143 . . . . 0.0 109.607 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 308' ' ' ASN . . . . . 0.494 ' HB3' ' CD2' ' A' ' 328' ' ' LEU . 0.7 OUTLIER -54.91 -40.32 69.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.267 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 309' ' ' LEU . . . . . 0.467 ' CD1' HG22 ' A' ' 338' ' ' ILE . 0.4 OUTLIER -62.65 -35.79 80.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 310' ' ' LEU . . . . . . . . . . . . . 49.6 mt -72.17 -38.08 69.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 52.7 m -74.12 -42.83 59.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.983 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -59.8 -22.54 62.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 313' ' ' SER . . . . . 0.469 ' HA ' ' CD1' ' A' ' 361' ' ' PHE . 4.5 p -70.26 -35.17 73.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 110.025 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 314' ' ' LYS . . . . . . . . . . . . . 12.6 mtmm -107.25 35.14 3.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 11.1 mt -137.17 -75.61 0.41 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -80.82 149.84 29.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 111.007 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 317' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -82.27 -43.39 17.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.272 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -155.36 135.9 13.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.338 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 319' ' ' ILE . . . . . 0.441 ' CD1' ' HA ' ' A' ' 324' ' ' LEU . 3.4 tt -146.3 145.58 19.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . 12.6 t -88.48 162.42 16.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.365 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 321' ' ' PHE . . . . . 0.473 ' HB3' ' CB ' ' A' ' 332' ' ' ALA . 63.7 m-85 -56.52 -39.27 73.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.975 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -61.53 -47.14 86.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -71.96 -47.21 53.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.329 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 324' ' ' LEU . . . . . 0.53 ' CD2' ' CD1' ' A' ' 328' ' ' LEU . 4.5 tt -57.13 -42.79 81.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . 0.499 ' O ' ' N ' ' A' ' 330' ' ' ILE . . . -70.94 -32.68 66.1 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.465 1.103 . . . . 0.0 111.004 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -70.66 -26.12 63.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 0.754 . . . . 0.0 109.295 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.82 -39.13 57.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.258 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 328' ' ' LEU . . . . . 0.53 ' CD1' ' CD2' ' A' ' 324' ' ' LEU . 0.1 OUTLIER -94.84 4.33 53.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 65.61 8.95 5.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.278 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 330' ' ' ILE . . . . . 0.499 ' N ' ' O ' ' A' ' 325' ' ' GLY . 4.9 pt -101.17 162.62 19.97 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 331' ' ' PRO . . . . . 0.485 ' HD2' ' CB ' ' A' ' 334' ' ' LYS . 18.3 Cg_endo -75.04 161.38 38.75 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.464 1.771 . . . . 0.0 110.946 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 332' ' ' ALA . . . . . 0.473 ' CB ' ' HB3' ' A' ' 321' ' ' PHE . . . -58.53 -42.39 87.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -57.54 -34.5 69.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 334' ' ' LYS . . . . . 0.485 ' CB ' ' HD2' ' A' ' 331' ' ' PRO . 9.8 tptm -75.25 -48.82 21.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 335' ' ' ALA . . . . . 0.543 ' O ' ' CB ' ' A' ' 339' ' ' ALA . . . -63.48 -34.88 78.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . 0.442 ' HB2' ' CD1' ' A' ' 321' ' ' PHE . 3.5 tt0 -71.78 -47.35 54.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 0.0 110.296 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 25.7 tttp -66.5 -46.36 76.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.287 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 338' ' ' ILE . . . . . 0.467 HG12 ' CZ ' ' A' ' 302' ' ' ARG . 61.2 mt -64.61 -46.74 91.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.135 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 339' ' ' ALA . . . . . 0.543 ' CB ' ' O ' ' A' ' 335' ' ' ALA . . . -55.75 -42.54 75.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.48 -40.82 70.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 109.954 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -39.53 93.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.303 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 342' ' ' MET . . . . . . . . . . . . . 9.7 mtp -62.7 -45.97 90.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.979 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 343' ' ' ILE . . . . . . . . . . . . . 40.2 mt -66.94 -37.26 79.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 6.9 m -67.55 -27.0 66.58 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.493 1.12 . . . . 0.0 110.427 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -88.79 -9.42 51.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.095 . . . . 0.0 110.304 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 88.96 -27.56 7.28 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.496 1.123 . . . . 0.0 110.959 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 347' ' ' ARG . . . . . . . . . . . . . 74.4 mtt-85 -38.75 -37.49 0.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 0.762 . . . . 0.0 110.32 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 6.1 ttp -110.42 176.37 5.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.965 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -143.52 130.38 20.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 133.42 -158.13 23.06 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.514 1.134 . . . . 0.0 110.971 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 351' ' ' PHE . . . . . . . . . . . . . 19.3 p90 -146.12 165.1 30.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 0.736 . . . . 0.0 111.026 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 8.6 mt -106.89 115.35 48.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 353' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -76.53 110.29 10.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -89.63 -12.22 40.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 110.292 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 57.9 mt -73.19 -39.54 56.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 109.322 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -110.28 -14.81 14.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . 73.25 29.62 64.04 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.546 1.153 . . . . 0.0 110.953 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 358' ' ' ILE . . . . . . . . . . . . . 49.5 mt -110.9 142.39 23.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.497 0.763 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 359' ' ' VAL . . . . . . . . . . . . . 82.4 t -85.74 123.67 39.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 360' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -90.96 110.76 22.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.598 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 361' ' ' PHE . . . . . 0.469 ' CD1' ' HA ' ' A' ' 313' ' ' SER . 12.3 m-85 -99.44 150.81 21.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 111.038 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -103.57 145.76 29.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.291 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 363' ' ' THR . . . . . . . . . . . . . 1.3 t -91.58 146.33 23.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.355 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 364' ' ' ARG . . . . . . . . . . . . . 21.3 ttt180 -48.74 123.6 7.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 110.29 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 365' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.25 146.89 31.45 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.135 . . . . 0.0 110.278 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 366' ' ' ALA . . . . . . . . . . . . . . . -167.58 88.54 0.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 2.1 t -53.64 -57.33 11.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 110.001 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 368' ' ' GLY . . . . . . . . . . . . . . . -163.34 -152.3 6.79 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.526 1.141 . . . . 0.0 110.977 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 369' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 103.45 1.74 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.483 1.78 . . . . 0.0 111.009 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 14.0 p -120.63 162.69 19.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.967 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 371' ' ' SER . . . . . . . . . . . . . 1.9 t -76.32 -58.55 3.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.004 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 372' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.52 1.137 . . . . 0.0 111.01 -179.985 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 290' ' ' SER . . . . . . . . . . . . . 14.8 m -110.06 -58.64 2.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 0.747 . . . . 0.0 109.975 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 291' ' ' SER . . . . . . . . . . . . . 32.6 t -159.79 -60.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.991 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 292' ' ' GLY . . . . . . . . . . . . . . . 137.74 151.04 5.8 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.523 1.139 . . . . 0.0 110.979 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 293' ' ' SER . . . . . . . . . . . . . 17.0 t -141.36 120.1 12.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 0.754 . . . . 0.0 109.985 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 294' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.59 166.97 2.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 109.973 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 63.08 157.64 0.13 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.532 1.145 . . . . 0.0 110.991 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 296' ' ' GLY . . . . . . . . . . . . . . . -179.84 115.3 0.47 Allowed Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 297' ' ' SER . . . . . . . . . . . . . 1.1 m -93.74 -41.04 9.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 0.779 . . . . 0.0 110.027 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 298' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.55 -177.9 0.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.011 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 299' ' ' ILE . . . . . 0.487 ' O ' ' CG2' ' A' ' 299' ' ' ILE . 12.7 mt -101.64 26.98 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 300' ' ' LEU . . . . . 0.433 ' C ' ' CD1' ' A' ' 300' ' ' LEU . 0.2 OUTLIER -40.11 112.24 0.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.29 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 301' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -94.81 107.39 19.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.347 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 302' ' ' ARG . . . . . . . . . . . . . 2.5 tpp180 -63.43 -29.7 70.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 110.266 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -69.69 -35.77 75.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 304' ' ' VAL . . . . . 0.412 HG13 ' ND2' ' A' ' 308' ' ' ASN . 10.4 t -72.24 -46.81 56.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 305' ' ' ILE . . . . . . . . . . . . . 7.1 mt -59.61 -40.46 82.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 306' ' ' GLU . . . . . 0.47 ' CB ' ' HE3' ' A' ' 342' ' ' MET . 12.1 mt-10 -58.83 -48.8 80.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.35 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 24.7 t60 -71.44 -44.57 64.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.625 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 308' ' ' ASN . . . . . 0.445 ' HB2' ' CD2' ' A' ' 328' ' ' LEU . 19.4 m-20 -54.01 -32.76 55.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.337 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 309' ' ' LEU . . . . . 0.467 ' CD2' ' HA ' ' A' ' 339' ' ' ALA . 1.8 tp -70.06 -49.02 55.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.276 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 310' ' ' LEU . . . . . 0.537 ' CD2' ' HE1' ' A' ' 342' ' ' MET . 0.2 OUTLIER -64.1 -45.04 90.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 13.0 m -59.46 -41.66 90.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 109.956 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -66.07 -21.94 66.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 109.291 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 313' ' ' SER . . . . . 0.468 ' HA ' ' CG ' ' A' ' 361' ' ' PHE . 1.4 p -68.44 -32.92 73.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.064 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 314' ' ' LYS . . . . . . . . . . . . . 5.9 mttp -108.01 33.59 4.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 7.4 mt -137.74 -66.09 0.51 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.357 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -93.86 117.12 29.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 111.006 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 317' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -50.22 -38.16 38.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -161.86 136.42 6.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 319' ' ' ILE . . . . . . . . . . . . . 19.8 tt -145.15 142.82 22.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . 29.2 p -80.99 165.74 21.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 110.418 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 321' ' ' PHE . . . . . 0.46 ' HB3' ' CB ' ' A' ' 332' ' ' ALA . 69.7 m-85 -62.14 -32.27 72.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 111.002 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -64.81 -49.33 71.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.331 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -72.2 -45.64 59.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.284 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 324' ' ' LEU . . . . . 0.495 ' O ' ' CD1' ' A' ' 328' ' ' LEU . 18.2 tp -57.32 -41.77 80.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . 0.499 ' O ' ' N ' ' A' ' 330' ' ' ILE . . . -74.52 -32.9 57.1 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.509 1.13 . . . . 0.0 110.978 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -68.89 -27.55 65.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 0.748 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.9 -41.45 51.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.259 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 328' ' ' LEU . . . . . 0.495 ' CD1' ' O ' ' A' ' 324' ' ' LEU . 0.0 OUTLIER -90.45 4.11 51.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 65.47 9.4 5.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.59 1.181 . . . . 0.0 110.314 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 330' ' ' ILE . . . . . 0.499 ' N ' ' O ' ' A' ' 325' ' ' GLY . 5.8 pt -101.82 161.85 22.19 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 331' ' ' PRO . . . . . 0.417 ' HD2' ' HB ' ' A' ' 330' ' ' ILE . 18.3 Cg_endo -75.01 158.4 42.17 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.469 1.773 . . . . 0.0 111.045 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 332' ' ' ALA . . . . . 0.46 ' CB ' ' HB3' ' A' ' 321' ' ' PHE . . . -58.76 -36.57 74.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -60.72 -43.11 98.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 334' ' ' LYS . . . . . 0.523 ' O ' ' CG1' ' A' ' 338' ' ' ILE . 0.3 OUTLIER -70.26 -47.66 60.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.337 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 335' ' ' ALA . . . . . . . . . . . . . . . -63.22 -30.87 71.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 332' ' ' ALA . 11.9 tt0 -71.31 -47.26 57.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.318 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 21.3 mmmt -69.47 -45.4 69.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 338' ' ' ILE . . . . . 0.523 ' CG1' ' O ' ' A' ' 334' ' ' LYS . 1.6 mm -59.23 -47.83 89.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 109.246 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 339' ' ' ALA . . . . . 0.467 ' HA ' ' CD2' ' A' ' 309' ' ' LEU . . . -59.62 -45.53 91.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.83 -43.14 89.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 109.97 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -35.98 80.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.273 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 342' ' ' MET . . . . . 0.537 ' HE1' ' CD2' ' A' ' 310' ' ' LEU . 2.8 mtp -64.31 -44.35 91.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 111.05 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 343' ' ' ILE . . . . . . . . . . . . . 23.3 mt -67.41 -47.25 81.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 8.8 m -58.01 -37.81 75.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.382 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -79.67 -7.42 58.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.311 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 83.88 -11.63 56.25 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 347' ' ' ARG . . . . . . . . . . . . . 8.7 mmt180 -50.03 -41.85 48.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 0.788 . . . . 0.0 110.299 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 348' ' ' MET . . . . . 0.448 ' HG2' ' N ' ' A' ' 349' ' ' ASN . 8.8 ttm -115.62 141.57 47.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 111.034 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 349' ' ' ASN . . . . . 0.448 ' N ' ' HG2' ' A' ' 348' ' ' MET . 0.7 OUTLIER -102.41 130.37 49.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 134.62 -160.23 24.16 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.115 . . . . 0.0 111.007 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 351' ' ' PHE . . . . . . . . . . . . . 14.3 p90 -146.2 163.15 36.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 0.778 . . . . 0.0 111.02 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 10.4 mt -105.0 130.73 55.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 353' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -92.85 110.45 21.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.09 . . . . 0.0 109.317 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -88.97 -17.17 30.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 33.0 mm -70.44 -39.11 75.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -107.24 -11.21 15.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . 68.22 29.75 73.4 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.491 1.119 . . . . 0.0 111.016 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 358' ' ' ILE . . . . . . . . . . . . . 6.7 mm -113.99 149.78 16.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.559 0.799 . . . . 0.0 109.233 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 359' ' ' VAL . . . . . . . . . . . . . 56.5 t -94.75 120.21 43.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 360' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -86.9 111.32 20.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.603 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 361' ' ' PHE . . . . . 0.468 ' CG ' ' HA ' ' A' ' 313' ' ' SER . 8.8 m-85 -103.11 150.81 23.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 111.004 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -82.51 142.85 31.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 110.312 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 363' ' ' THR . . . . . . . . . . . . . 1.4 t -106.16 146.26 30.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.421 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 364' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.03 132.5 46.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.095 . . . . 0.0 110.311 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 365' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.34 75.22 7.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.283 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 366' ' ' ALA . . . . . . . . . . . . . . . -150.6 77.59 1.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 19.1 t -165.22 -57.09 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.982 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 368' ' ' GLY . . . . . . . . . . . . . . . 140.92 94.95 0.25 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.53 1.144 . . . . 0.0 110.972 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 369' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 173.97 13.6 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.467 1.772 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 3.7 m -42.25 139.61 1.37 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.991 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 371' ' ' SER . . . . . . . . . . . . . 3.4 t -115.37 101.44 8.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 109.981 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 372' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.512 1.133 . . . . 0.0 111.02 -179.981 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.065 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 290' ' ' SER . . . . . . . . . . . . . 9.3 m 54.03 78.77 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 0.783 . . . . 0.0 109.973 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 291' ' ' SER . . . . . . . . . . . . . 29.0 t -124.99 155.5 39.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.103 . . . . 0.0 110.025 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 292' ' ' GLY . . . . . . . . . . . . . . . -159.34 -150.7 5.9 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.508 1.13 . . . . 0.0 111.016 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 293' ' ' SER . . . . . . . . . . . . . 9.0 t -128.35 94.69 3.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 0.774 . . . . 0.0 109.995 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 294' ' ' SER . . . . . . . . . . . . . 2.0 t 68.6 86.01 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.993 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . -119.77 71.24 0.34 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.486 1.116 . . . . 0.0 111.013 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 296' ' ' GLY . . . . . . . . . . . . . . . 158.75 -61.17 0.32 Allowed Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 297' ' ' SER . . . . . . . . . . . . . 1.4 t -70.05 -176.02 1.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 0.772 . . . . 0.0 109.995 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 298' ' ' SER . . . . . . . . . . . . . 9.6 m -72.34 135.57 45.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.996 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 299' ' ' ILE . . . . . . . . . . . . . 1.5 mp -112.75 25.98 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -41.22 104.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 301' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.24 107.78 19.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 302' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.45 -33.69 74.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.308 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -62.58 -41.82 99.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 304' ' ' VAL . . . . . . . . . . . . . 40.7 t -62.81 -46.26 96.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 305' ' ' ILE . . . . . . . . . . . . . 23.1 mt -59.78 -40.94 83.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.279 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -67.45 -47.32 70.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 110.28 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 15.4 t60 -61.82 -49.7 75.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 109.61 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 308' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -55.1 -37.42 66.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 309' ' ' LEU . . . . . 0.472 ' CD2' HD22 ' A' ' 324' ' ' LEU . 0.5 OUTLIER -64.24 -41.17 97.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 310' ' ' LEU . . . . . 0.409 ' CD2' ' O ' ' A' ' 347' ' ' ARG . 23.4 mt -74.22 -42.06 60.37 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.16 -44.97 82.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 110.02 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -67.18 -23.12 65.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.334 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 313' ' ' SER . . . . . 0.56 ' HA ' ' CD2' ' A' ' 361' ' ' PHE . 2.8 t -74.17 -30.73 62.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.956 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 314' ' ' LYS . . . . . . . . . . . . . 15.4 mttt -93.1 -6.58 47.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 10.5 mt -98.15 -87.92 0.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -65.03 165.45 11.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 317' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -98.32 -44.66 6.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.248 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -144.51 135.34 24.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.254 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 319' ' ' ILE . . . . . 0.489 HG22 ' CG2' ' A' ' 359' ' ' VAL . 6.4 tt -146.56 143.33 20.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . 5.6 t -85.65 161.97 19.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.343 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 321' ' ' PHE . . . . . 0.58 ' CE2' ' O ' ' A' ' 357' ' ' GLY . 15.5 m-85 -56.92 -38.87 73.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.59 1.182 . . . . 0.0 111.044 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -60.31 -45.68 92.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.34 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -71.97 -46.47 57.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.311 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 324' ' ' LEU . . . . . 0.496 ' O ' ' CD1' ' A' ' 328' ' ' LEU . 0.5 OUTLIER -56.97 -44.23 82.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . 0.456 ' CA ' ' O ' ' A' ' 330' ' ' ILE . . . -71.72 -31.96 64.56 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.57 1.168 . . . . 0.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -70.49 -25.99 63.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 0.789 . . . . 0.0 109.265 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 1.2 tp -75.4 -42.38 53.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.338 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 328' ' ' LEU . . . . . 0.496 ' CD1' ' O ' ' A' ' 324' ' ' LEU . 0.1 OUTLIER -90.76 -2.84 57.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.343 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 329' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 325' ' ' GLY . 5.3 mt-10 76.28 -0.67 3.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 110.269 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 330' ' ' ILE . . . . . 0.456 ' O ' ' CA ' ' A' ' 325' ' ' GLY . 7.0 pt -90.92 163.18 30.7 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 109.333 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 331' ' ' PRO . . . . . 0.451 ' HD2' ' HB ' ' A' ' 330' ' ' ILE . 18.3 Cg_endo -75.05 157.46 42.56 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.486 1.782 . . . . 0.0 110.98 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 332' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' A' ' 336' ' ' GLU . . . -58.53 -32.39 68.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 109.341 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -63.22 -39.2 93.95 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 334' ' ' LYS . . . . . 0.402 ' O ' HG13 ' A' ' 338' ' ' ILE . 0.0 OUTLIER -75.24 -48.04 25.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 335' ' ' ALA . . . . . 0.511 ' O ' ' CB ' ' A' ' 339' ' ' ALA . . . -63.97 -30.87 71.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 332' ' ' ALA . 6.2 tt0 -70.45 -46.99 62.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 110.336 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 15.0 mttt -68.26 -45.78 72.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.257 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 338' ' ' ILE . . . . . 0.413 ' O ' ' CG ' ' A' ' 342' ' ' MET . 83.9 mt -63.7 -47.29 91.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 339' ' ' ALA . . . . . 0.511 ' CB ' ' O ' ' A' ' 335' ' ' ALA . . . -56.63 -43.88 80.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.33 -45.19 63.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.982 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -61.83 -37.88 86.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 110.317 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 342' ' ' MET . . . . . 0.413 ' CG ' ' O ' ' A' ' 338' ' ' ILE . 17.5 mmm -62.81 -44.2 96.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 111.041 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 343' ' ' ILE . . . . . 0.454 ' CG1' ' HB3' ' A' ' 348' ' ' MET . 59.8 mt -66.86 -37.03 78.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 3.9 m -70.55 -27.45 64.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.385 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -84.51 -9.12 58.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.238 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 90.86 -30.74 5.98 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 347' ' ' ARG . . . . . 0.409 ' O ' ' CD2' ' A' ' 310' ' ' LEU . 5.8 mtt85 -38.78 -44.75 1.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 0.747 . . . . 0.0 110.26 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 348' ' ' MET . . . . . 0.454 ' HB3' ' CG1' ' A' ' 343' ' ' ILE . 0.8 OUTLIER -103.54 176.08 5.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 111.009 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -143.5 128.41 18.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 136.55 -160.21 24.71 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.445 1.09 . . . . 0.0 111.009 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 351' ' ' PHE . . . . . . . . . . . . . 13.1 p90 -145.98 153.18 40.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 0.763 . . . . 0.0 110.984 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 37.1 mt -95.99 121.12 46.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 353' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 357' ' ' GLY . 55.5 t0 -88.03 113.37 23.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -81.64 -14.15 57.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.33 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 62.0 mt -70.1 -42.66 79.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.26 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -110.39 -14.95 14.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 357' ' ' GLY . . . . . 0.58 ' O ' ' CE2' ' A' ' 321' ' ' PHE . . . 68.13 33.88 79.73 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.502 1.126 . . . . 0.0 111.042 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 358' ' ' ILE . . . . . 0.425 HG21 ' N ' ' A' ' 359' ' ' VAL . 52.6 mt -118.04 143.9 27.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 359' ' ' VAL . . . . . 0.489 ' CG2' HG22 ' A' ' 319' ' ' ILE . 18.8 m -82.83 140.24 16.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 360' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -109.49 110.86 22.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.601 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 361' ' ' PHE . . . . . 0.56 ' CD2' ' HA ' ' A' ' 313' ' ' SER . 11.7 m-85 -96.91 151.64 19.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.98 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -79.88 141.46 36.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.293 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 363' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -103.21 144.31 31.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.376 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 364' ' ' ARG . . . . . . . . . . . . . 3.4 mtm180 -66.6 136.2 55.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 365' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -53.58 136.66 38.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.112 . . . . 0.0 110.288 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 366' ' ' ALA . . . . . . . . . . . . . . . -132.4 114.97 14.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 63.59 146.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.999 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 368' ' ' GLY . . . . . . . . . . . . . . . -158.84 -126.67 0.87 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.506 1.129 . . . . 0.0 111.021 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 369' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 60.0 5.34 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.53 1.805 . . . . 0.0 110.984 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 10.7 t 40.67 81.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.983 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 371' ' ' SER . . . . . . . . . . . . . 15.8 p -41.67 -59.54 1.61 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 110.026 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 372' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.488 1.117 . . . . 0.0 111.054 179.953 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 290' ' ' SER . . . . . . . . . . . . . 38.2 t -88.23 100.57 13.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 0.798 . . . . 0.0 110.014 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 291' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -160.87 -58.21 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.979 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 292' ' ' GLY . . . . . . . . . . . . . . . -143.87 -75.53 0.03 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.53 1.143 . . . . 0.0 110.973 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 293' ' ' SER . . . . . . . . . . . . . 5.4 t 61.91 134.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 0.753 . . . . 0.0 110.013 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 294' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.36 80.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.987 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 87.66 -62.73 3.96 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 296' ' ' GLY . . . . . . . . . . . . . . . -42.1 -75.57 0.13 Allowed Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 297' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -39.72 155.48 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 0.765 . . . . 0.0 109.992 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 298' ' ' SER . . . . . . . . . . . . . 3.6 m -116.26 80.1 1.41 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.05 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 299' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -109.34 108.17 24.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 109.296 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.99 101.32 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 301' ' ' ASP . . . . . 0.464 ' CB ' HG22 ' A' ' 304' ' ' VAL . 0.6 OUTLIER -96.73 108.79 21.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 302' ' ' ARG . . . . . 0.408 ' NH1' HG12 ' A' ' 338' ' ' ILE . 0.0 OUTLIER -57.78 -42.25 83.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 110.305 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -60.15 -33.83 72.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 109.263 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 304' ' ' VAL . . . . . 0.464 HG22 ' CB ' ' A' ' 301' ' ' ASP . 41.5 t -71.0 -46.42 67.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 305' ' ' ILE . . . . . 0.401 HG23 ' CD1' ' A' ' 338' ' ' ILE . 4.7 mt -61.98 -44.69 99.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -59.67 -47.82 84.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.288 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 36.7 t60 -69.29 -43.25 74.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.558 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 308' ' ' ASN . . . . . 0.478 ' HB3' ' CD2' ' A' ' 328' ' ' LEU . 5.0 m-20 -54.56 -38.75 67.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 309' ' ' LEU . . . . . 0.479 ' CD1' HG21 ' A' ' 338' ' ' ILE . 0.7 OUTLIER -64.06 -50.17 69.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 310' ' ' LEU . . . . . 0.471 HD21 ' CE ' ' A' ' 342' ' ' MET . 0.2 OUTLIER -60.96 -45.3 95.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 311' ' ' SER . . . . . 0.452 ' HA ' ' CE ' ' A' ' 314' ' ' LYS . 0.1 OUTLIER -60.22 -39.31 86.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.007 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -68.45 -21.64 64.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 313' ' ' SER . . . . . 0.418 ' HA ' ' CD1' ' A' ' 361' ' ' PHE . 2.7 t -59.56 -44.87 93.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 109.975 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 314' ' ' LYS . . . . . 0.452 ' CE ' ' HA ' ' A' ' 311' ' ' SER . 0.0 OUTLIER -89.59 -34.55 16.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.267 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 315' ' ' LEU . . . . . 0.413 ' N ' ' HG2' ' A' ' 314' ' ' LYS . 4.1 mt -69.62 -78.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -79.2 121.48 25.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 317' ' ' ASN . . . . . 0.445 ' O ' ' ND2' ' A' ' 318' ' ' ASN . 2.6 m120 -62.75 -40.51 97.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 318' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 317' ' ' ASN . 0.4 OUTLIER -158.71 135.72 9.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 319' ' ' ILE . . . . . 0.427 ' CG1' ' HB2' ' A' ' 323' ' ' GLU . 16.7 tt -146.47 146.87 18.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . 8.9 t -87.36 166.04 15.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 110.403 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 321' ' ' PHE . . . . . 0.41 ' HB3' ' CB ' ' A' ' 332' ' ' ALA . 39.4 m-85 -58.28 -38.24 76.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 111.02 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -62.33 -49.21 76.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.295 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 323' ' ' GLU . . . . . 0.427 ' HB2' ' CG1' ' A' ' 319' ' ' ILE . 10.9 mm-40 -71.29 -46.01 61.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.101 . . . . 0.0 110.307 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 324' ' ' LEU . . . . . 0.472 ' CD2' HD21 ' A' ' 309' ' ' LEU . 38.0 tp -57.4 -42.18 81.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 109.26 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . 0.493 ' CA ' ' O ' ' A' ' 330' ' ' ILE . . . -67.72 -32.4 78.02 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -71.98 -26.32 62.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 0.769 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.95 -38.22 57.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 328' ' ' LEU . . . . . 0.478 ' CD2' ' HB3' ' A' ' 308' ' ' ASN . 0.1 OUTLIER -95.45 3.47 54.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 65.23 9.67 5.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.253 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 330' ' ' ILE . . . . . 0.493 ' O ' ' CA ' ' A' ' 325' ' ' GLY . 3.3 pt -104.35 164.3 15.54 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 331' ' ' PRO . . . . . 0.477 ' HD2' ' CB ' ' A' ' 334' ' ' LYS . 18.3 Cg_endo -75.04 160.62 39.81 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.519 1.8 . . . . 0.0 110.983 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 332' ' ' ALA . . . . . 0.41 ' CB ' ' HB3' ' A' ' 321' ' ' PHE . . . -58.28 -41.03 83.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.26 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -58.47 -35.21 71.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 334' ' ' LYS . . . . . 0.477 ' CB ' ' HD2' ' A' ' 331' ' ' PRO . 2.6 tptt -75.37 -48.42 23.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 335' ' ' ALA . . . . . 0.508 ' O ' ' CB ' ' A' ' 339' ' ' ALA . . . -63.66 -30.51 71.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.102 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 332' ' ' ALA . 8.9 tt0 -71.07 -47.25 59.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 110.276 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 11.9 mtmt -67.27 -45.77 75.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 338' ' ' ILE . . . . . 0.479 HG21 ' CD1' ' A' ' 309' ' ' LEU . 72.8 mt -64.12 -47.03 91.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 339' ' ' ALA . . . . . 0.508 ' CB ' ' O ' ' A' ' 335' ' ' ALA . . . -56.81 -45.33 82.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.58 -43.86 71.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 110.008 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -60.02 -36.45 77.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.3 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 342' ' ' MET . . . . . 0.471 ' CE ' HD21 ' A' ' 310' ' ' LEU . 9.3 mtp -63.07 -49.04 76.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 111.002 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 343' ' ' ILE . . . . . 0.457 HG13 ' CE ' ' A' ' 348' ' ' MET . 75.0 mt -68.15 -36.53 75.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 11.9 m -65.99 -34.31 77.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.38 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -80.47 -3.82 51.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.313 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 75.25 2.12 66.18 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.497 1.123 . . . . 0.0 110.977 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 347' ' ' ARG . . . . . . . . . . . . . 60.5 mtt180 -69.94 -27.45 64.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 0.755 . . . . 0.0 110.366 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 348' ' ' MET . . . . . 0.457 ' CE ' HG13 ' A' ' 343' ' ' ILE . 35.4 ttp -122.38 164.66 17.6 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 111.023 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -126.51 132.31 51.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.086 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 136.67 -169.53 23.79 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.462 1.101 . . . . 0.0 110.984 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 351' ' ' PHE . . . . . . . . . . . . . 33.6 p90 -143.99 155.46 44.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 0.754 . . . . 0.0 110.987 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 18.6 mt -98.76 120.92 48.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 353' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -83.27 109.91 17.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.143 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -84.73 -18.33 35.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 18.9 mt -67.65 -40.07 83.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -109.33 -14.98 14.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 357' ' ' GLY . . . . . 0.405 ' O ' ' CE2' ' A' ' 321' ' ' PHE . . . 71.01 26.87 73.13 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.525 1.141 . . . . 0.0 111.019 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 358' ' ' ILE . . . . . . . . . . . . . 76.4 mt -107.68 144.37 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 0.772 . . . . 0.0 109.298 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 359' ' ' VAL . . . . . . . . . . . . . 48.4 t -89.67 118.04 34.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 360' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -87.43 110.91 20.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.537 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 361' ' ' PHE . . . . . 0.418 ' CD1' ' HA ' ' A' ' 313' ' ' SER . 8.3 m-85 -97.96 148.94 22.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 111.047 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -81.81 147.82 29.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 110.316 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 363' ' ' THR . . . . . . . . . . . . . 44.3 p -107.94 137.85 45.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.394 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 364' ' ' ARG . . . . . . . . . . . . . 2.2 mmt180 -139.02 68.94 1.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.333 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 365' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.14 150.94 30.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 110.299 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 366' ' ' ALA . . . . . . . . . . . . . . . -103.45 116.23 32.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 11.6 m 63.83 83.01 0.17 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.04 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 368' ' ' GLY . . . . . . . . . . . . . . . -155.93 155.97 26.7 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.455 1.097 . . . . 0.0 111.017 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 369' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 55.82 4.05 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.532 1.806 . . . . 0.0 111.019 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.71 -62.79 1.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.988 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 371' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 60.66 103.75 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 110.019 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 372' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.515 1.134 . . . . 0.0 110.999 -179.988 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 290' ' ' SER . . . . . . . . . . . . . 3.5 t 54.01 87.44 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 0.775 . . . . 0.0 110.008 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 291' ' ' SER . . . . . . . . . . . . . 79.9 p -148.89 140.06 23.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.125 . . . . 0.0 109.993 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 292' ' ' GLY . . . . . . . . . . . . . . . -68.17 -99.61 0.03 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.554 1.159 . . . . 0.0 110.986 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 293' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 63.61 -85.55 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 0.773 . . . . 0.0 110.01 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 294' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 76.71 88.9 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 110.016 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . -129.13 127.72 5.61 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.513 1.133 . . . . 0.0 110.985 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 296' ' ' GLY . . . . . . . . . . . . . . . 158.87 -97.59 0.16 Allowed Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 297' ' ' SER . . . . . . . . . . . . . 45.3 t -146.18 114.33 6.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 0.763 . . . . 0.0 109.97 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 298' ' ' SER . . . . . . . . . . . . . 3.2 m -147.61 84.31 1.55 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 110.008 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 299' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -124.5 108.15 19.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -40.47 106.14 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.368 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 301' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.98 107.63 19.37 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 302' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -62.96 -33.56 75.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.334 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -63.13 -32.88 74.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 304' ' ' VAL . . . . . . . . . . . . . 51.8 t -71.05 -46.46 66.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 305' ' ' ILE . . . . . . . . . . . . . 7.3 mt -61.54 -43.27 96.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -57.83 -49.19 77.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.308 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 28.6 t60 -67.8 -45.96 73.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.643 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 308' ' ' ASN . . . . . 0.474 ' HB2' ' CD2' ' A' ' 328' ' ' LEU . 68.2 m-20 -55.3 -39.06 69.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 309' ' ' LEU . . . . . 0.459 ' CD2' ' HA ' ' A' ' 339' ' ' ALA . 1.1 tp -62.88 -39.42 94.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 310' ' ' LEU . . . . . . . . . . . . . 23.5 mt -73.88 -39.77 63.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 109.318 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 39.6 m -68.02 -44.87 75.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.989 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -64.84 -22.38 66.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 313' ' ' SER . . . . . 0.472 ' HA ' ' CG ' ' A' ' 361' ' ' PHE . 2.6 p -72.94 -41.04 64.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.023 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 314' ' ' LYS . . . . . . . . . . . . . 22.5 mttt -83.47 -12.23 56.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 1.5 mt -97.27 -84.09 0.38 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -69.1 128.36 36.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 110.975 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 317' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -68.77 -39.15 80.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -151.43 135.43 16.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 319' ' ' ILE . . . . . . . . . . . . . 20.0 tt -146.72 147.3 17.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . 24.4 p -88.86 161.69 16.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.386 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 321' ' ' PHE . . . . . 0.405 ' HB3' ' CB ' ' A' ' 332' ' ' ALA . 33.5 m-85 -55.79 -38.58 70.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 111.033 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -61.77 -49.23 77.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.347 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -71.6 -44.11 65.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.303 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 324' ' ' LEU . . . . . 0.515 ' O ' ' CD1' ' A' ' 328' ' ' LEU . 15.8 tp -57.31 -42.75 82.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . 0.486 ' O ' ' N ' ' A' ' 330' ' ' ILE . . . -74.69 -33.0 56.62 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.52 1.138 . . . . 0.0 110.975 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -67.9 -28.57 67.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 0.782 . . . . 0.0 109.328 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.76 -41.97 51.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 328' ' ' LEU . . . . . 0.515 ' CD1' ' O ' ' A' ' 324' ' ' LEU . 0.1 OUTLIER -88.81 3.65 50.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 65.41 9.29 5.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 330' ' ' ILE . . . . . 0.486 ' N ' ' O ' ' A' ' 325' ' ' GLY . 3.8 pt -102.89 163.11 18.21 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 331' ' ' PRO . . . . . 0.428 ' HD2' ' HB ' ' A' ' 330' ' ' ILE . 18.6 Cg_endo -74.98 156.83 43.09 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.464 1.77 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 332' ' ' ALA . . . . . 0.422 ' O ' ' CB ' ' A' ' 336' ' ' GLU . . . -58.47 -33.23 69.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -63.63 -39.13 93.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 334' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -75.16 -47.82 26.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 335' ' ' ALA . . . . . 0.497 ' O ' ' CB ' ' A' ' 339' ' ' ALA . . . -64.24 -30.71 71.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . 0.422 ' CB ' ' O ' ' A' ' 332' ' ' ALA . 7.5 tt0 -70.88 -47.0 61.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 9.3 tppt? -66.66 -45.77 77.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.353 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 338' ' ' ILE . . . . . . . . . . . . . 90.1 mt -64.64 -47.33 89.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 339' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 335' ' ' ALA . . . -56.81 -42.89 80.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 109.268 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -71.21 -47.51 56.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 110.0 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -59.66 -38.6 81.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 110.287 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 342' ' ' MET . . . . . 0.406 ' HG3' ' CD2' ' A' ' 309' ' ' LEU . 29.0 mmm -62.84 -42.29 99.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 110.993 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 343' ' ' ILE . . . . . 0.474 HD11 ' CE ' ' A' ' 348' ' ' MET . 35.5 mt -67.73 -37.44 78.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 1.4 m -72.17 -27.01 62.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.42 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -83.24 -8.94 59.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.288 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 89.94 -30.02 6.09 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.48 1.112 . . . . 0.0 110.983 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 347' ' ' ARG . . . . . . . . . . . . . 16.2 mtt85 -39.27 -52.66 1.98 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 0.782 . . . . 0.0 110.264 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 348' ' ' MET . . . . . 0.474 ' CE ' HD11 ' A' ' 343' ' ' ILE . 1.8 ttp -85.48 174.54 9.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.971 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -145.32 114.38 6.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.579 1.175 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 142.22 -155.03 25.39 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.532 1.145 . . . . 0.0 111.041 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 351' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -146.16 162.85 37.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 0.767 . . . . 0.0 110.996 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 12.0 mt -104.14 114.08 42.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.351 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 353' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 357' ' ' GLY . 64.7 t0 -76.59 110.08 10.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -83.18 -19.11 37.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 110.298 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 13.2 mt -66.86 -41.7 88.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -110.16 -14.48 14.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 357' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 353' ' ' ASP . . . 69.42 33.86 73.27 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.467 1.104 . . . . 0.0 110.977 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 358' ' ' ILE . . . . . . . . . . . . . 12.3 mt -111.54 147.3 15.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.456 0.739 . . . . 0.0 109.312 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 359' ' ' VAL . . . . . 0.512 HG12 ' CZ ' ' A' ' 361' ' ' PHE . 62.0 t -88.38 119.55 35.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 360' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -91.99 110.77 22.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.618 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 361' ' ' PHE . . . . . 0.512 ' CZ ' HG12 ' A' ' 359' ' ' VAL . 12.9 m-85 -97.99 146.05 25.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -93.53 145.95 24.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 110.288 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 363' ' ' THR . . . . . . . . . . . . . 7.5 p -109.71 133.33 53.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.406 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 364' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -122.47 71.98 1.04 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 110.316 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 365' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -66.83 141.27 57.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.285 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 366' ' ' ALA . . . . . . . . . . . . . . . 43.44 77.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.36 125.76 51.54 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.473 1.108 . . . . 0.0 110.034 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 368' ' ' GLY . . . . . . . . . . . . . . . 140.79 -85.68 0.2 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.544 1.152 . . . . 0.0 110.963 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 369' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -70.13 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.464 1.771 . . . . 0.0 110.989 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 39.6 p -107.72 176.68 5.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.018 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 371' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.98 81.79 1.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 110.017 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 372' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.486 1.116 . . . . 0.0 110.944 180.0 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 290' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 54.13 82.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 0.762 . . . . 0.0 110.017 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 291' ' ' SER . . . . . . . . . . . . . 12.1 p -123.33 133.62 54.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.015 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 292' ' ' GLY . . . . . . . . . . . . . . . 130.85 -152.1 19.81 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.461 1.101 . . . . 0.0 110.972 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 293' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -118.64 167.29 11.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 0.759 . . . . 0.0 110.033 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 294' ' ' SER . . . . . . . . . . . . . 38.1 t -143.98 115.07 7.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.997 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 107.26 -172.16 17.51 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.5 1.125 . . . . 0.0 111.023 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 296' ' ' GLY . . . . . . . . . . . . . . . 173.94 -89.35 0.08 OUTLIER Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 297' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.57 100.41 0.19 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 0.754 . . . . 0.0 110.004 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 298' ' ' SER . . . . . . . . . . . . . 6.4 t -174.63 -177.02 1.11 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 110.001 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 299' ' ' ILE . . . . . 0.422 ' O ' ' CG2' ' A' ' 299' ' ' ILE . 47.7 mm -111.61 28.54 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 300' ' ' LEU . . . . . 0.457 HD13 ' CD1' ' A' ' 305' ' ' ILE . 0.1 OUTLIER -148.7 118.65 7.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.337 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 301' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -96.98 107.06 19.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 302' ' ' ARG . . . . . . . . . . . . . 4.0 ttt-85 -69.48 -33.91 73.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.31 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -68.79 -33.35 73.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 304' ' ' VAL . . . . . . . . . . . . . 17.5 t -69.27 -46.18 77.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 305' ' ' ILE . . . . . 0.457 ' CD1' HD13 ' A' ' 300' ' ' LEU . 13.6 mt -59.82 -39.94 81.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 306' ' ' GLU . . . . . 0.434 ' OE1' ' CD ' ' A' ' 347' ' ' ARG . 2.1 mt-10 -63.49 -45.99 88.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 12.7 t60 -67.91 -45.78 73.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.127 . . . . 0.0 109.585 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 308' ' ' ASN . . . . . 0.501 ' HB3' ' CD2' ' A' ' 328' ' ' LEU . 0.6 OUTLIER -56.18 -43.86 78.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 309' ' ' LEU . . . . . 0.42 ' CD1' HD21 ' A' ' 324' ' ' LEU . 0.5 OUTLIER -62.21 -35.59 79.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 310' ' ' LEU . . . . . . . . . . . . . 84.8 mt -73.15 -42.08 63.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.52 1.138 . . . . 0.0 109.338 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.17 -45.15 70.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 110.016 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -62.5 -21.98 65.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 313' ' ' SER . . . . . 0.537 ' HA ' ' CD2' ' A' ' 361' ' ' PHE . 1.4 p -68.59 -43.7 75.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.013 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 314' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.83 -18.94 55.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.34 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 2.0 mt -89.57 -84.78 0.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.258 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -71.61 156.79 39.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 317' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -96.68 -44.06 7.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -144.34 135.47 25.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 319' ' ' ILE . . . . . 0.453 ' CD1' ' HA ' ' A' ' 324' ' ' LEU . 4.9 tt -146.57 144.11 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . 6.5 t -85.69 159.68 19.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.41 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 321' ' ' PHE . . . . . 0.566 ' CE2' ' O ' ' A' ' 357' ' ' GLY . 16.6 m-85 -55.43 -35.82 65.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 111.031 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -64.33 -48.89 73.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.282 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -69.92 -48.31 59.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.327 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 324' ' ' LEU . . . . . 0.563 ' CD2' ' CD1' ' A' ' 328' ' ' LEU . 4.8 tt -57.44 -42.27 82.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . 0.463 ' O ' ' N ' ' A' ' 330' ' ' ILE . . . -69.8 -32.23 70.33 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.549 1.155 . . . . 0.0 111.0 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -70.99 -26.59 63.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 0.789 . . . . 0.0 109.304 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.36 -39.45 59.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 328' ' ' LEU . . . . . 0.563 ' CD1' ' CD2' ' A' ' 324' ' ' LEU . 0.2 OUTLIER -93.26 3.24 55.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 65.33 9.75 5.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.34 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 330' ' ' ILE . . . . . 0.463 ' N ' ' O ' ' A' ' 325' ' ' GLY . 3.6 pt -103.3 164.6 15.15 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 331' ' ' PRO . . . . . 0.464 ' HD2' ' CB ' ' A' ' 334' ' ' LYS . 18.3 Cg_endo -74.97 158.94 42.02 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.53 1.805 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 332' ' ' ALA . . . . . 0.483 ' O ' ' CB ' ' A' ' 336' ' ' GLU . . . -58.85 -32.52 69.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -65.65 -36.88 84.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 334' ' ' LYS . . . . . 0.464 ' CB ' ' HD2' ' A' ' 331' ' ' PRO . 0.0 OUTLIER -75.11 -48.34 24.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 335' ' ' ALA . . . . . 0.511 ' O ' ' CB ' ' A' ' 339' ' ' ALA . . . -65.77 -34.01 77.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.232 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . 0.483 ' CB ' ' O ' ' A' ' 332' ' ' ALA . 5.2 tt0 -71.58 -47.82 52.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 110.334 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.87 -46.11 83.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 109.226 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 338' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 334' ' ' LYS . 55.6 mt -65.06 -47.67 86.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 109.309 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 339' ' ' ALA . . . . . 0.511 ' CB ' ' O ' ' A' ' 335' ' ' ALA . . . -56.22 -44.74 79.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -69.52 -44.99 69.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.981 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -59.74 -36.36 76.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.279 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 342' ' ' MET . . . . . . . . . . . . . 82.9 mtp -65.48 -49.42 69.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 111.035 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 343' ' ' ILE . . . . . . . . . . . . . 31.7 mt -60.17 -39.33 80.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 4.6 m -67.67 -29.06 68.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.391 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -83.09 -9.15 59.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 90.15 -30.47 5.9 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.541 1.151 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 347' ' ' ARG . . . . . 0.434 ' CD ' ' OE1' ' A' ' 306' ' ' GLU . 48.3 mtt-85 -38.7 -48.63 1.5 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 0.787 . . . . 0.0 110.297 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 13.6 ttp -103.02 155.65 18.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 110.988 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -122.76 131.63 53.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.348 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 135.91 -162.12 24.93 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.507 1.13 . . . . 0.0 110.954 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 351' ' ' PHE . . . . . . . . . . . . . 11.0 p90 -146.15 150.06 35.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 0.799 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 5.2 mt -94.32 111.41 25.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.335 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 353' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 357' ' ' GLY . 58.4 t0 -72.01 114.1 9.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -83.86 -17.86 39.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 110.289 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 37.9 mt -69.53 -40.33 79.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -110.52 -15.05 13.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.325 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 357' ' ' GLY . . . . . 0.566 ' O ' ' CE2' ' A' ' 321' ' ' PHE . . . 66.0 34.18 87.68 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.533 1.146 . . . . 0.0 110.968 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 358' ' ' ILE . . . . . 0.412 HG21 ' N ' ' A' ' 359' ' ' VAL . 89.7 mt -116.93 141.79 33.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 0.771 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 359' ' ' VAL . . . . . 0.455 ' CG2' HD13 ' A' ' 324' ' ' LEU . 29.2 m -83.14 140.18 16.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 360' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -113.18 110.6 20.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.597 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 361' ' ' PHE . . . . . 0.537 ' CD2' ' HA ' ' A' ' 313' ' ' SER . 15.2 m-85 -93.26 147.13 23.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 111.01 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -81.71 149.18 28.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.29 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 363' ' ' THR . . . . . . . . . . . . . 1.7 t -105.76 147.01 29.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.397 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 364' ' ' ARG . . . . . 0.499 ' CD ' ' C ' ' A' ' 364' ' ' ARG . 0.0 OUTLIER -69.3 150.77 47.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.268 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 365' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -79.56 126.94 31.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 110.304 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 366' ' ' ALA . . . . . . . . . . . . . . . -146.92 112.9 5.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.84 156.1 26.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.016 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 368' ' ' GLY . . . . . . . . . . . . . . . 168.84 -177.51 42.64 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 369' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -50.35 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.508 1.794 . . . . 0.0 111.012 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 61.7 p -166.29 83.26 0.29 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.022 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 371' ' ' SER . . . . . . . . . . . . . 85.4 p 43.14 88.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.981 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 372' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.517 1.136 . . . . 0.0 110.992 -179.99 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.052 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 290' ' ' SER . . . . . . . . . . . . . 41.0 t -148.64 96.82 2.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 0.775 . . . . 0.0 109.988 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 291' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 59.48 154.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.012 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 292' ' ' GLY . . . . . . . . . . . . . . . 125.38 75.93 0.26 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.468 1.105 . . . . 0.0 111.053 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 293' ' ' SER . . . . . . . . . . . . . 54.9 p -173.26 107.53 0.15 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 0.757 . . . . 0.0 109.957 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 294' ' ' SER . . . . . . . . . . . . . 72.1 p 178.75 128.69 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.99 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 125.79 141.72 5.61 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.527 1.142 . . . . 0.0 110.975 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 296' ' ' GLY . . . . . . . . . . . . . . . -116.01 56.3 0.52 Allowed Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 297' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -175.83 -63.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 0.779 . . . . 0.0 110.0 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 298' ' ' SER . . . . . 0.438 ' C ' ' N ' ' A' ' 300' ' ' LEU . 33.3 p -91.97 -18.24 23.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.986 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 299' ' ' ILE . . . . . 0.513 ' O ' ' CG2' ' A' ' 299' ' ' ILE . 3.3 mt 40.78 29.23 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 300' ' ' LEU . . . . . 0.438 ' N ' ' C ' ' A' ' 298' ' ' SER . 0.1 OUTLIER -41.04 106.25 0.05 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 301' ' ' ASP . . . . . 0.443 ' HB2' ' CG2' ' A' ' 304' ' ' VAL . 10.3 m-20 -96.18 107.7 20.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.25 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 302' ' ' ARG . . . . . 0.434 ' NH1' ' HB2' ' A' ' 302' ' ' ARG . 0.9 OUTLIER -57.86 -33.32 68.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.311 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -58.7 -34.88 71.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 304' ' ' VAL . . . . . 0.443 ' CG2' ' HB2' ' A' ' 301' ' ' ASP . 75.6 t -68.03 -45.98 82.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 305' ' ' ILE . . . . . 0.508 ' CD1' ' N ' ' A' ' 305' ' ' ILE . 1.2 mp -59.76 -38.3 75.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 306' ' ' GLU . . . . . 0.434 ' OE1' ' NH1' ' A' ' 347' ' ' ARG . 22.8 mt-10 -63.27 -50.81 68.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.326 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 52.0 t60 -63.15 -43.57 97.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.609 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 308' ' ' ASN . . . . . 0.467 ' HB2' ' CD2' ' A' ' 328' ' ' LEU . 59.5 m-20 -54.61 -39.48 67.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 309' ' ' LEU . . . . . 0.474 ' CD2' ' HA ' ' A' ' 339' ' ' ALA . 1.3 mp -63.82 -50.18 69.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 310' ' ' LEU . . . . . 0.521 ' CD2' ' CE ' ' A' ' 342' ' ' MET . 0.2 OUTLIER -63.75 -45.09 91.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.1 -36.9 80.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.999 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -70.44 -28.78 65.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 313' ' ' SER . . . . . . . . . . . . . 4.9 p -63.25 -39.23 94.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 110.024 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 314' ' ' LYS . . . . . . . . . . . . . 40.9 mtmt -80.54 -27.82 37.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 109.278 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 1.6 mt -81.17 -86.29 0.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -73.17 154.57 40.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 317' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -92.28 -41.56 10.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -147.4 135.9 21.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.435 1.085 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 319' ' ' ILE . . . . . 0.449 ' CD1' ' HA ' ' A' ' 324' ' ' LEU . 4.6 tt -146.44 146.67 18.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . 82.2 p -86.19 160.16 19.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 110.395 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 321' ' ' PHE . . . . . 0.468 ' HB3' ' CB ' ' A' ' 332' ' ' ALA . 42.0 m-85 -55.85 -39.09 70.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -62.69 -49.22 75.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.298 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -69.45 -46.91 65.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 110.297 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 324' ' ' LEU . . . . . 0.522 ' CD2' ' CD1' ' A' ' 328' ' ' LEU . 4.2 tt -57.22 -43.65 83.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.288 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . 0.491 ' CA ' ' O ' ' A' ' 330' ' ' ILE . . . -67.82 -32.51 77.88 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.503 1.127 . . . . 0.0 111.016 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -72.38 -25.77 61.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 0.767 . . . . 0.0 109.269 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.28 -37.9 60.68 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.467 1.105 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 328' ' ' LEU . . . . . 0.522 ' CD1' ' CD2' ' A' ' 324' ' ' LEU . 0.1 OUTLIER -95.1 -3.58 47.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.102 . . . . 0.0 109.297 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 75.65 1.16 3.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.298 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 330' ' ' ILE . . . . . 0.491 ' O ' ' CA ' ' A' ' 325' ' ' GLY . 5.5 pt -96.31 163.0 21.72 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 331' ' ' PRO . . . . . 0.465 ' HD2' ' CB ' ' A' ' 334' ' ' LYS . 18.4 Cg_endo -74.92 160.63 40.15 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.48 1.779 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 332' ' ' ALA . . . . . 0.468 ' CB ' ' HB3' ' A' ' 321' ' ' PHE . . . -58.98 -36.39 74.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.273 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -62.32 -36.99 83.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.443 1.089 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 334' ' ' LYS . . . . . 0.465 ' CB ' ' HD2' ' A' ' 331' ' ' PRO . 0.0 OUTLIER -75.17 -47.92 26.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 335' ' ' ALA . . . . . 0.43 ' O ' ' CB ' ' A' ' 339' ' ' ALA . . . -64.62 -31.25 72.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 332' ' ' ALA . 6.6 tt0 -71.13 -47.11 59.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 14.1 mmtt -65.6 -46.07 80.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 338' ' ' ILE . . . . . 0.454 ' CD1' HG22 ' A' ' 305' ' ' ILE . 90.4 mt -63.86 -47.51 90.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 339' ' ' ALA . . . . . 0.474 ' HA ' ' CD2' ' A' ' 309' ' ' LEU . . . -56.58 -44.71 81.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.54 -42.55 67.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.007 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 341' ' ' GLN . . . . . 0.407 ' NE2' ' HA ' ' A' ' 341' ' ' GLN . 1.4 mp0 -59.81 -40.26 87.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.122 . . . . 0.0 110.285 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 342' ' ' MET . . . . . 0.521 ' CE ' ' CD2' ' A' ' 310' ' ' LEU . 44.1 mmm -62.89 -49.06 76.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 343' ' ' ILE . . . . . 0.466 ' CG1' ' HE2' ' A' ' 348' ' ' MET . 79.4 mt -68.01 -42.53 85.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 2.3 m -59.59 -29.61 68.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.401 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -90.99 -9.14 47.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.269 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 346' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 347' ' ' ARG . . . 90.18 -26.22 10.61 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.496 1.122 . . . . 0.0 111.006 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 347' ' ' ARG . . . . . 0.434 ' NH1' ' OE1' ' A' ' 306' ' ' GLU . 27.1 mtt180 -38.84 -34.76 0.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 0.742 . . . . 0.0 110.273 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 348' ' ' MET . . . . . 0.466 ' HE2' ' CG1' ' A' ' 343' ' ' ILE . 43.6 ttp -123.28 145.94 48.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -106.4 132.5 52.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.263 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 137.75 -174.46 21.83 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.51 1.131 . . . . 0.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 351' ' ' PHE . . . . . 0.43 ' CD1' ' C ' ' A' ' 351' ' ' PHE . 11.7 p90 -142.34 152.04 42.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 0.773 . . . . 0.0 110.979 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 35.8 mt -94.31 122.39 45.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 353' ' ' ASP . . . . . . . . . . . . . 54.5 t0 -84.2 110.06 18.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 109.322 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -84.0 -19.44 34.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 110.269 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 9.9 mm -65.91 -40.92 88.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 109.333 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -108.68 -15.01 14.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . 69.29 33.99 74.2 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.496 1.123 . . . . 0.0 111.026 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 358' ' ' ILE . . . . . . . . . . . . . 41.7 mt -118.35 148.05 21.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 0.746 . . . . 0.0 109.29 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 359' ' ' VAL . . . . . . . . . . . . . 40.9 t -87.88 140.0 16.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 360' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -112.35 111.06 21.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.544 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 361' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -99.45 146.27 26.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -80.03 133.12 36.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 363' ' ' THR . . . . . . . . . . . . . 4.2 p -111.82 146.33 37.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.367 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 364' ' ' ARG . . . . . 0.498 ' CD ' ' N ' ' A' ' 364' ' ' ARG . 0.0 OUTLIER -120.58 81.32 1.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.281 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 365' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -110.79 169.2 8.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 366' ' ' ALA . . . . . . . . . . . . . . . -137.14 140.91 42.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 5.6 t -88.22 -58.0 2.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.127 . . . . 0.0 109.965 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 368' ' ' GLY . . . . . . . . . . . . . . . -49.37 175.04 0.04 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.564 1.165 . . . . 0.0 110.986 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 369' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 80.88 2.35 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.519 1.8 . . . . 0.0 110.959 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 8.5 t 54.97 169.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.02 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 371' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.43 -58.59 1.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.03 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 372' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.478 1.111 . . . . 0.0 111.057 -179.962 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 290' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 61.85 113.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 0.752 . . . . 0.0 110.0 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 291' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.02 152.02 0.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.043 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 292' ' ' GLY . . . . . . . . . . . . . . . -140.49 172.97 23.32 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.478 1.111 . . . . 0.0 111.045 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 293' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -164.8 -57.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 0.733 . . . . 0.0 109.973 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 294' ' ' SER . . . . . . . . . . . . . 69.1 m -152.08 78.93 1.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.019 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . -140.91 -178.11 16.92 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.555 1.159 . . . . 0.0 111.021 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 296' ' ' GLY . . . . . . . . . . . . . . . -133.53 -103.2 0.81 Allowed Glycine 0 CA--C 1.529 0.965 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 297' ' ' SER . . . . . . . . . . . . . 3.5 m -140.49 126.41 19.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 0.739 . . . . 0.0 110.024 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 298' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 171.54 -178.57 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.014 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 299' ' ' ILE . . . . . . . . . . . . . 4.5 mm -103.61 26.29 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -40.73 109.37 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 301' ' ' ASP . . . . . 0.411 ' O ' HG12 ' A' ' 304' ' ' VAL . 4.2 m-20 -75.95 107.53 8.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 302' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.83 -26.43 66.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.257 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -63.99 -41.46 97.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 304' ' ' VAL . . . . . 0.426 HG12 ' N ' ' A' ' 305' ' ' ILE . 0.3 OUTLIER -59.36 -42.07 86.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 305' ' ' ILE . . . . . 0.447 ' CG2' HG21 ' A' ' 338' ' ' ILE . 12.3 mt -65.56 -41.94 91.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 306' ' ' GLU . . . . . 0.422 ' OE2' ' CD ' ' A' ' 347' ' ' ARG . 38.1 mt-10 -69.74 -40.58 76.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 110.312 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -65.86 -47.12 75.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.105 . . . . 0.0 109.565 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 308' ' ' ASN . . . . . 0.434 ' CB ' HD23 ' A' ' 328' ' ' LEU . 1.4 m-20 -58.91 -40.99 86.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.67 -47.54 83.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.107 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 310' ' ' LEU . . . . . . . . . . . . . 31.6 mt -67.81 -37.37 81.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.91 -40.39 87.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.959 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -71.58 -21.71 61.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 313' ' ' SER . . . . . 0.521 ' HA ' ' CG ' ' A' ' 361' ' ' PHE . 4.0 p -63.78 -35.92 82.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 110.013 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 314' ' ' LYS . . . . . 0.417 ' HG2' ' N ' ' A' ' 315' ' ' LEU . 0.0 OUTLIER -96.72 -33.4 11.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.242 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 315' ' ' LEU . . . . . 0.417 ' N ' ' HG2' ' A' ' 314' ' ' LYS . 2.2 mt -73.26 -70.86 0.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -80.97 145.26 31.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 110.998 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 317' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -89.79 -30.02 18.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.564 1.165 . . . . 0.0 109.344 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -159.17 135.94 9.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 319' ' ' ILE . . . . . 0.455 HG22 ' CG2' ' A' ' 359' ' ' VAL . 16.4 tt -146.29 147.17 18.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . 10.3 t -91.96 170.31 9.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.382 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 321' ' ' PHE . . . . . 0.408 ' CB ' ' HB1' ' A' ' 332' ' ' ALA . 25.1 m-85 -62.94 -32.14 73.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -68.18 -49.36 61.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 110.302 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 67.8 mt-10 -72.26 -42.33 65.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 110.268 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 324' ' ' LEU . . . . . 0.507 ' O ' ' CD1' ' A' ' 328' ' ' LEU . 12.9 tp -57.36 -42.84 82.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . 0.496 ' O ' ' N ' ' A' ' 330' ' ' ILE . . . -74.48 -33.16 56.74 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.535 1.147 . . . . 0.0 110.997 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -67.89 -28.52 67.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 0.743 . . . . 0.0 109.313 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -75.98 -42.03 49.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 328' ' ' LEU . . . . . 0.507 ' CD1' ' O ' ' A' ' 324' ' ' LEU . 0.1 OUTLIER -90.27 3.8 52.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 329' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 325' ' ' GLY . 11.6 mt-10 65.83 7.95 4.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.305 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 330' ' ' ILE . . . . . 0.496 ' N ' ' O ' ' A' ' 325' ' ' GLY . 4.6 pt -98.89 164.67 16.43 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 331' ' ' PRO . . . . . 0.469 ' HD2' ' HB ' ' A' ' 330' ' ' ILE . 18.4 Cg_endo -74.95 162.66 36.86 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.505 1.792 . . . . 0.0 111.048 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 332' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 336' ' ' GLU . . . -58.47 -44.41 89.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.58 1.175 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -55.46 -36.39 66.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 334' ' ' LYS . . . . . 0.515 ' O ' ' CG1' ' A' ' 338' ' ' ILE . 0.8 OUTLIER -75.11 -47.58 27.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 335' ' ' ALA . . . . . 0.496 ' O ' ' CB ' ' A' ' 339' ' ' ALA . . . -63.33 -30.78 71.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 332' ' ' ALA . 7.3 tt0 -71.25 -48.4 51.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 110.314 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -70.53 -45.67 65.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 109.33 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 338' ' ' ILE . . . . . 0.515 ' CG1' ' O ' ' A' ' 334' ' ' LYS . 2.1 mm -60.95 -44.88 98.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.35 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 339' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 335' ' ' ALA . . . -57.23 -45.17 84.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.84 -42.13 74.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 109.984 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.85 -36.53 77.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.255 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 342' ' ' MET . . . . . 0.463 ' HE1' ' CB ' ' A' ' 347' ' ' ARG . 4.7 mtp -66.37 -42.57 87.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 111.001 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 343' ' ' ILE . . . . . . . . . . . . . 53.9 mt -67.58 -45.71 84.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 109.267 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 1.9 m -60.17 -33.1 71.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.386 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -79.88 -8.3 59.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.326 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 86.07 -15.62 47.71 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 347' ' ' ARG . . . . . 0.463 ' CB ' ' HE1' ' A' ' 342' ' ' MET . 62.8 mtt-85 -48.88 -52.63 23.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 0.751 . . . . 0.0 110.31 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 348' ' ' MET . . . . . 0.447 ' HG2' ' N ' ' A' ' 349' ' ' ASN . 11.1 ttm -103.61 144.2 31.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.993 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 349' ' ' ASN . . . . . 0.447 ' N ' ' HG2' ' A' ' 348' ' ' MET . 0.8 OUTLIER -110.04 130.29 55.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 109.297 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 139.63 -157.49 25.21 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.495 1.122 . . . . 0.0 111.025 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 351' ' ' PHE . . . . . . . . . . . . . 19.7 p90 -146.12 154.22 41.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 0.778 . . . . 0.0 110.995 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 9.8 mt -94.22 121.85 45.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 353' ' ' ASP . . . . . 0.436 ' O ' ' CA ' ' A' ' 357' ' ' GLY . 58.8 t0 -82.07 110.02 16.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -85.08 -18.53 34.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 56.7 mt -68.82 -40.49 81.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -110.93 -14.87 13.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 357' ' ' GLY . . . . . 0.436 ' CA ' ' O ' ' A' ' 353' ' ' ASP . . . 70.56 34.02 67.52 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.539 1.149 . . . . 0.0 111.0 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 358' ' ' ILE . . . . . . . . . . . . . 97.0 mt -117.32 142.35 31.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.481 0.753 . . . . 0.0 109.304 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 359' ' ' VAL . . . . . 0.471 HG23 ' CZ ' ' A' ' 361' ' ' PHE . 29.4 m -86.16 136.17 23.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 360' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -104.55 117.62 34.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.598 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 361' ' ' PHE . . . . . 0.521 ' CG ' ' HA ' ' A' ' 313' ' ' SER . 22.9 m-85 -95.01 154.64 17.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 111.03 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 362' ' ' GLU . . . . . 0.4 ' OE2' ' O ' ' A' ' 363' ' ' THR . 17.4 tp10 -111.91 146.38 37.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.275 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 363' ' ' THR . . . . . 0.4 ' O ' ' OE2' ' A' ' 362' ' ' GLU . 1.3 t -85.94 146.14 26.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 110.358 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 364' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.66 129.35 25.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.311 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 365' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.93 74.28 2.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.276 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 366' ' ' ALA . . . . . . . . . . . . . . . -70.59 -60.05 2.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.16 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 1.6 t -160.99 107.77 1.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.96 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 368' ' ' GLY . . . . . . . . . . . . . . . -175.7 -105.44 0.19 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.483 1.115 . . . . 0.0 111.033 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 369' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 67.84 5.86 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.5 1.789 . . . . 0.0 111.005 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.11 136.04 41.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.031 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 371' ' ' SER . . . . . . . . . . . . . 11.2 p -56.14 160.61 2.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.055 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 372' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.52 1.137 . . . . 0.0 111.001 -179.97 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 290' ' ' SER . . . . . . . . . . . . . 87.2 p -170.8 158.54 5.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 0.758 . . . . 0.0 110.018 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 291' ' ' SER . . . . . . . . . . . . . 14.0 m 58.78 168.22 0.06 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.476 1.11 . . . . 0.0 109.998 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 292' ' ' GLY . . . . . . . . . . . . . . . -171.63 157.03 27.1 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.47 1.106 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 293' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.79 151.8 26.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 0.752 . . . . 0.0 110.001 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 294' ' ' SER . . . . . . . . . . . . . 72.0 p -168.61 141.58 2.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.006 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 174.6 -164.44 35.36 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.454 1.096 . . . . 0.0 110.992 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 296' ' ' GLY . . . . . . . . . . . . . . . -176.0 73.01 0.08 OUTLIER Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 297' ' ' SER . . . . . . . . . . . . . 3.6 t -169.78 88.78 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 0.765 . . . . 0.0 109.981 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 298' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 175.15 -175.54 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.994 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 299' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -122.67 27.77 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -150.39 117.79 6.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 301' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -97.0 107.44 19.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 302' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -76.42 -26.91 56.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -64.68 -34.21 77.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 304' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -59.38 -42.21 86.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.577 1.173 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 305' ' ' ILE . . . . . 0.441 HG23 ' CD1' ' A' ' 309' ' ' LEU . 6.0 mt -65.47 -39.26 84.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -64.02 -42.08 97.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.293 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -70.85 -48.6 53.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.562 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 308' ' ' ASN . . . . . 0.478 ' HB3' ' CD2' ' A' ' 328' ' ' LEU . 1.4 m-80 -56.55 -39.17 72.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 309' ' ' LEU . . . . . 0.441 ' CD1' HG23 ' A' ' 305' ' ' ILE . 0.6 OUTLIER -62.83 -37.18 85.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 310' ' ' LEU . . . . . . . . . . . . . 27.7 mt -74.08 -36.47 64.29 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 311' ' ' SER . . . . . 0.466 ' O ' ' CD1' ' A' ' 315' ' ' LEU . 0.5 OUTLIER -71.81 -44.8 63.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.008 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -60.82 -29.72 69.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 313' ' ' SER . . . . . 0.561 ' HA ' ' CD1' ' A' ' 361' ' ' PHE . 12.4 t -61.86 -44.84 96.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 0.0 110.044 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 314' ' ' LYS . . . . . . . . . . . . . 9.6 mtmm -101.44 35.13 2.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.157 . . . . 0.0 109.336 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 315' ' ' LEU . . . . . 0.466 ' CD1' ' O ' ' A' ' 311' ' ' SER . 4.9 mt -142.29 -67.09 0.39 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -86.24 120.26 27.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 317' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -56.72 -40.45 75.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -161.54 136.0 7.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.337 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 319' ' ' ILE . . . . . 0.453 ' CD1' ' HA ' ' A' ' 324' ' ' LEU . 5.3 tt -145.96 141.54 21.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . 66.8 p -84.07 167.43 16.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 110.393 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 321' ' ' PHE . . . . . 0.458 ' HB3' ' CB ' ' A' ' 332' ' ' ALA . 51.6 m-85 -61.66 -32.25 72.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.132 . . . . 0.0 111.018 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -66.44 -49.53 66.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -71.86 -45.9 59.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.337 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 324' ' ' LEU . . . . . 0.534 ' CD2' ' CD1' ' A' ' 328' ' ' LEU . 4.5 tt -57.14 -42.82 81.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . 0.489 ' O ' ' N ' ' A' ' 330' ' ' ILE . . . -71.38 -32.61 64.88 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.514 1.134 . . . . 0.0 111.018 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -69.45 -26.94 64.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 0.775 . . . . 0.0 109.323 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -75.7 -39.91 56.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 328' ' ' LEU . . . . . 0.534 ' CD1' ' CD2' ' A' ' 324' ' ' LEU . 0.1 OUTLIER -92.31 4.13 53.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 65.41 9.69 5.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.276 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 330' ' ' ILE . . . . . 0.489 ' N ' ' O ' ' A' ' 325' ' ' GLY . 3.7 pt -103.71 162.43 20.0 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 331' ' ' PRO . . . . . 0.453 ' HD2' ' CB ' ' A' ' 334' ' ' LYS . 18.1 Cg_endo -75.05 160.27 40.19 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.488 1.783 . . . . 0.0 110.957 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 332' ' ' ALA . . . . . 0.458 ' CB ' ' HB3' ' A' ' 321' ' ' PHE . . . -58.32 -40.93 83.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.327 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -58.44 -35.21 71.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 334' ' ' LYS . . . . . 0.453 ' CB ' ' HD2' ' A' ' 331' ' ' PRO . 9.6 tptt -75.21 -48.17 24.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 335' ' ' ALA . . . . . 0.509 ' O ' ' CB ' ' A' ' 339' ' ' ALA . . . -63.84 -30.67 71.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 332' ' ' ALA . 11.4 tt0 -70.77 -47.28 60.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.327 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 7.7 mttt -65.13 -45.48 84.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.275 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 338' ' ' ILE . . . . . 0.428 HG23 ' CD1' ' A' ' 309' ' ' LEU . 66.7 mt -66.34 -45.83 88.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 339' ' ' ALA . . . . . 0.509 ' CB ' ' O ' ' A' ' 335' ' ' ALA . . . -56.89 -45.69 82.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.82 -39.87 69.52 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 110.021 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -63.83 -39.51 94.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.153 . . . . 0.0 110.36 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 342' ' ' MET . . . . . . . . . . . . . 34.1 mmm -62.74 -45.57 92.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 343' ' ' ILE . . . . . 0.446 HG13 ' CE ' ' A' ' 348' ' ' MET . 42.9 mt -68.13 -39.13 80.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 3.8 m -68.03 -26.99 66.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 110.419 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -87.5 -9.22 55.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 110.351 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 89.81 -29.29 6.44 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.451 1.094 . . . . 0.0 110.993 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 347' ' ' ARG . . . . . . . . . . . . . 69.6 mtt-85 -39.26 -36.08 0.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 0.754 . . . . 0.0 110.258 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 348' ' ' MET . . . . . 0.446 ' CE ' HG13 ' A' ' 343' ' ' ILE . 23.1 ttp -117.5 160.56 21.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -125.66 132.12 52.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 134.08 -164.15 24.5 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.493 1.12 . . . . 0.0 110.993 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 351' ' ' PHE . . . . . . . . . . . . . 19.7 p90 -144.35 160.29 41.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 0.755 . . . . 0.0 110.981 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 11.5 mt -104.08 125.56 58.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.11 . . . . 0.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 353' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -86.25 109.88 19.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -88.82 -15.14 35.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 10.5 mt -68.92 -40.31 80.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.421 1.075 . . . . 0.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -107.85 -14.5 14.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . 74.03 30.88 60.51 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 358' ' ' ILE . . . . . . . . . . . . . 80.1 mt -113.15 149.1 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 0.751 . . . . 0.0 109.281 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 359' ' ' VAL . . . . . . . . . . . . . 44.3 t -92.6 116.11 33.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 360' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -83.86 111.38 19.16 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.487 1.117 . . . . 0.0 109.595 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 361' ' ' PHE . . . . . 0.561 ' CD1' ' HA ' ' A' ' 313' ' ' SER . 4.4 m-85 -99.81 152.32 20.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -82.54 137.94 34.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 110.298 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 363' ' ' THR . . . . . . . . . . . . . 1.8 t -111.79 147.09 36.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.413 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 364' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.78 136.78 1.88 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.275 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 365' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -45.86 129.01 9.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 110.249 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 366' ' ' ALA . . . . . . . . . . . . . . . 67.78 120.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 6.8 p -96.54 150.09 21.03 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.515 1.134 . . . . 0.0 109.992 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 368' ' ' GLY . . . . . . . . . . . . . . . 106.97 -146.83 16.11 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 369' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 88.35 1.24 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.513 1.796 . . . . 0.0 111.019 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 28.9 p -87.35 132.45 33.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.022 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 371' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -156.88 155.35 31.29 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.105 . . . . 0.0 109.974 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 372' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.483 1.114 . . . . 0.0 110.991 179.984 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 290' ' ' SER . . . . . . . . . . . . . 1.9 m 39.61 82.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 0.802 . . . . 0.0 110.031 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 291' ' ' SER . . . . . . . . . . . . . 5.0 t -149.19 124.73 10.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.98 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 292' ' ' GLY . . . . . . . . . . . . . . . 163.9 -100.05 0.17 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.541 1.151 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 293' ' ' SER . . . . . . . . . . . . . 2.0 t -107.66 170.84 7.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 0.76 . . . . 0.0 109.977 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 294' ' ' SER . . . . . . . . . . . . . 11.1 t -122.37 135.95 54.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 110.0 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . -48.16 -94.16 0.01 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.475 1.109 . . . . 0.0 111.006 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 296' ' ' GLY . . . . . . . . . . . . . . . 165.96 67.87 0.03 OUTLIER Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 297' ' ' SER . . . . . 0.43 ' O ' ' NH1' ' A' ' 302' ' ' ARG . 71.5 m -84.45 152.7 23.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 0.767 . . . . 0.0 110.003 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 298' ' ' SER . . . . . . . . . . . . . 3.4 m -116.18 80.56 1.47 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 109.97 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 299' ' ' ILE . . . . . 0.428 ' O ' ' O ' ' A' ' 300' ' ' LEU . 0.2 OUTLIER -108.84 108.14 24.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 300' ' ' LEU . . . . . 0.428 ' O ' ' O ' ' A' ' 299' ' ' ILE . 0.4 OUTLIER 42.27 -164.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 301' ' ' ASP . . . . . 0.402 ' O ' HG13 ' A' ' 304' ' ' VAL . 65.9 t0 -58.6 109.9 0.89 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 302' ' ' ARG . . . . . 0.43 ' NH1' ' O ' ' A' ' 297' ' ' SER . 2.4 tpt180 -74.37 -26.42 60.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.341 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -69.83 -37.49 76.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 304' ' ' VAL . . . . . 0.431 HG13 ' N ' ' A' ' 305' ' ' ILE . 0.3 OUTLIER -59.37 -42.48 87.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 305' ' ' ILE . . . . . 0.431 ' N ' HG13 ' A' ' 304' ' ' VAL . 5.4 mt -64.81 -41.47 92.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.367 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -66.31 -42.26 88.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 110.316 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -71.13 -46.23 62.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.642 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 308' ' ' ASN . . . . . 0.474 ' HB3' ' CD2' ' A' ' 328' ' ' LEU . 7.1 m-80 -56.37 -32.92 65.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 309' ' ' LEU . . . . . 0.429 ' CD1' ' CG2' ' A' ' 338' ' ' ILE . 1.9 mt -69.09 -34.24 74.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 310' ' ' LEU . . . . . . . . . . . . . 14.1 mt -74.26 -42.1 60.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.83 -44.42 55.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.044 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 312' ' ' ALA . . . . . 0.424 ' CB ' ' O ' ' A' ' 308' ' ' ASN . . . -59.99 -22.84 63.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 313' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 362' ' ' GLU . 0.9 OUTLIER -69.66 -45.08 69.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 110.034 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 314' ' ' LYS . . . . . . . . . . . . . 7.4 mtmp? -101.13 35.56 2.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 7.4 mt -133.5 -70.23 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -84.13 135.22 34.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 111.006 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 317' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -61.24 -45.02 96.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -163.3 135.99 5.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 319' ' ' ILE . . . . . . . . . . . . . 16.6 tt -146.17 143.98 20.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . 10.9 t -83.62 166.98 17.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.433 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 321' ' ' PHE . . . . . 0.638 ' CE1' ' CG2' ' A' ' 359' ' ' VAL . 39.3 m-85 -60.05 -39.13 84.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.992 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -59.67 -50.08 75.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 110.296 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -72.99 -47.56 44.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 110.289 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 324' ' ' LEU . . . . . 0.472 ' CD1' ' HB3' ' A' ' 335' ' ' ALA . 1.1 tm? -56.94 -44.41 82.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.332 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 330' ' ' ILE . . . -69.84 -32.92 70.3 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -66.95 -29.29 69.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 0.77 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.27 -39.36 59.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 328' ' ' LEU . . . . . 0.474 ' CD2' ' HB3' ' A' ' 308' ' ' ASN . 0.2 OUTLIER -87.81 3.16 49.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 65.48 12.13 7.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 330' ' ' ILE . . . . . 0.46 ' N ' ' O ' ' A' ' 325' ' ' GLY . 2.9 pt -109.75 162.27 20.95 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 331' ' ' PRO . . . . . 0.455 ' HD2' ' CB ' ' A' ' 334' ' ' LYS . 18.5 Cg_endo -74.95 160.74 39.92 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.487 1.783 . . . . 0.0 111.021 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 332' ' ' ALA . . . . . 0.435 ' CB ' ' CB ' ' A' ' 321' ' ' PHE . . . -59.27 -35.86 74.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -62.73 -37.84 88.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 334' ' ' LYS . . . . . 0.455 ' CB ' ' HD2' ' A' ' 331' ' ' PRO . 0.1 OUTLIER -74.18 -47.78 33.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 335' ' ' ALA . . . . . 0.504 ' O ' ' CB ' ' A' ' 339' ' ' ALA . . . -64.36 -31.12 72.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 332' ' ' ALA . 11.0 tt0 -69.68 -47.27 63.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.309 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 29.4 mmtt -66.56 -45.68 78.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 109.351 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 338' ' ' ILE . . . . . 0.429 ' CG2' ' CD1' ' A' ' 309' ' ' LEU . 67.8 mt -65.16 -46.38 91.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 339' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 335' ' ' ALA . . . -56.82 -44.78 82.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.18 -43.26 67.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.009 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.99 -40.82 90.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 110.307 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 342' ' ' MET . . . . . . . . . . . . . 1.9 mmm -62.9 -48.24 79.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.973 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 343' ' ' ILE . . . . . 0.425 HG13 ' CE ' ' A' ' 348' ' ' MET . 34.7 mt -64.56 -39.71 86.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 2.9 m -70.24 -27.42 64.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.391 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -83.79 -8.94 59.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.264 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 89.8 -29.53 6.3 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.532 1.145 . . . . 0.0 110.999 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 347' ' ' ARG . . . . . . . . . . . . . 72.1 mtt-85 -39.08 -50.95 1.87 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 0.751 . . . . 0.0 110.343 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 348' ' ' MET . . . . . 0.425 ' CE ' HG13 ' A' ' 343' ' ' ILE . 9.6 ttp -98.61 172.51 7.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.537 1.148 . . . . 0.0 110.964 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -137.91 131.87 31.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 133.87 -162.84 24.51 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.511 1.132 . . . . 0.0 110.996 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 351' ' ' PHE . . . . . . . . . . . . . 12.0 p90 -145.28 159.46 42.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 0.771 . . . . 0.0 111.029 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 12.5 mt -102.86 133.47 46.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 353' ' ' ASP . . . . . 0.428 ' HB2' ' CD2' ' A' ' 360' ' ' HIS . 66.1 t0 -95.91 109.76 22.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -85.62 -17.65 35.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.314 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 25.8 mt -66.58 -42.96 90.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -106.03 -11.76 16.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 109.354 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 357' ' ' GLY . . . . . 0.428 ' O ' ' CE2' ' A' ' 321' ' ' PHE . . . 69.09 34.0 75.26 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.513 1.133 . . . . 0.0 110.973 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 358' ' ' ILE . . . . . . . . . . . . . 61.1 mt -116.24 146.05 21.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.484 0.755 . . . . 0.0 109.318 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 359' ' ' VAL . . . . . 0.638 ' CG2' ' CE1' ' A' ' 321' ' ' PHE . 48.7 t -94.15 114.22 30.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 360' ' ' HIS . . . . . 0.428 ' CD2' ' HB2' ' A' ' 353' ' ' ASP . 25.6 m-70 -84.41 110.83 18.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.622 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 361' ' ' PHE . . . . . 0.566 ' CZ ' HG12 ' A' ' 359' ' ' VAL . 15.1 m-85 -100.51 146.93 26.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 110.987 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 362' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 313' ' ' SER . 4.3 pt-20 -80.21 147.82 31.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.326 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 363' ' ' THR . . . . . . . . . . . . . 4.0 t -100.81 147.57 25.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.433 1.083 . . . . 0.0 110.416 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 364' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.05 158.4 11.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 110.247 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 365' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -119.15 88.67 2.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.347 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 366' ' ' ALA . . . . . . . . . . . . . . . 71.87 75.77 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -144.57 165.09 28.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 110.002 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 368' ' ' GLY . . . . . . . . . . . . . . . -101.33 155.97 19.03 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.505 1.128 . . . . 0.0 110.975 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 369' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 161.97 37.62 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.458 1.768 . . . . 0.0 110.982 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 74.2 m -168.93 95.78 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.988 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 371' ' ' SER . . . . . . . . . . . . . 2.4 t 53.88 98.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.951 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 372' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.481 1.113 . . . . 0.0 111.018 179.968 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 302' ' ' ARG . . . . . 0.583 ' HA ' HD12 ' A' ' 305' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -65.69 -36.46 83.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.247 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 304' ' ' VAL . . . . . . . . . . . . . 70.4 t -63.12 -46.23 96.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.334 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 305' ' ' ILE . . . . . 0.583 HD12 ' HA ' ' A' ' 302' ' ' ARG . 5.3 mt -60.18 -44.65 95.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -57.79 -48.41 79.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.361 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 25.8 t60 -69.66 -45.4 68.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.614 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 308' ' ' ASN . . . . . 0.507 ' CB ' ' CD2' ' A' ' 328' ' ' LEU . 6.9 m-20 -54.94 -39.01 68.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 309' ' ' LEU . . . . . 0.493 HD21 ' HA ' ' A' ' 339' ' ' ALA . 1.3 tp -62.83 -40.02 96.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.419 1.075 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 310' ' ' LEU . . . . . 0.56 HD21 ' O ' ' A' ' 347' ' ' ARG . 18.9 mt -74.15 -37.7 63.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 311' ' ' SER . . . . . 0.434 ' C ' HD12 ' A' ' 315' ' ' LEU . 0.3 OUTLIER -65.05 -45.1 86.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.995 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -66.26 -35.54 80.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 313' ' ' SER . . . . . 0.405 ' HA ' ' CG ' ' A' ' 361' ' ' PHE . 25.8 p -62.67 -25.25 68.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.568 1.168 . . . . 0.0 110.046 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 314' ' ' LYS . . . . . . . . . . . . . 35.6 mtmt -100.17 -13.11 19.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 315' ' ' LEU . . . . . 0.434 HD12 ' C ' ' A' ' 311' ' ' SER . 7.4 mt -101.56 -82.19 0.47 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -70.25 118.25 12.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.973 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 317' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.1 -41.4 78.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.35 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -152.92 135.85 15.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.272 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 319' ' ' ILE . . . . . 0.587 HG21 HD13 ' A' ' 324' ' ' LEU . 20.2 tt -146.23 147.06 18.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.275 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 320' ' ' THR . . . . . 0.784 HG22 HG12 ' A' ' 358' ' ' ILE . 70.6 p -85.12 163.26 18.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 110.424 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 321' ' ' PHE . . . . . 0.675 ' CB ' ' HB1' ' A' ' 332' ' ' ALA . 48.1 m-85 -58.93 -36.36 74.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -62.42 -49.21 76.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 110.306 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 323' ' ' GLU . . . . . 0.417 ' HB3' HD11 ' A' ' 319' ' ' ILE . 12.8 mm-40 -72.23 -44.73 62.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.163 . . . . 0.0 110.327 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 324' ' ' LEU . . . . . 0.587 HD13 HG21 ' A' ' 319' ' ' ILE . 21.3 tp -57.3 -41.96 80.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 325' ' ' GLY . . . . . 0.468 ' O ' ' N ' ' A' ' 330' ' ' ILE . . . -69.82 -32.3 70.28 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -70.11 -28.19 65.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 0.754 . . . . 0.0 109.266 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 327' ' ' LEU . . . . . 0.47 ' O ' HD12 ' A' ' 327' ' ' LEU . 0.4 OUTLIER -75.57 -39.9 57.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 328' ' ' LEU . . . . . 0.617 ' O ' HG23 ' A' ' 330' ' ' ILE . 0.1 OUTLIER -92.1 2.54 56.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.079 . . . . 0.0 109.329 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 64.99 10.1 5.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.328 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 330' ' ' ILE . . . . . 0.617 HG23 ' O ' ' A' ' 328' ' ' LEU . 2.9 pt -104.19 164.22 15.74 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 331' ' ' PRO . . . . . 0.444 ' HD2' ' HB ' ' A' ' 330' ' ' ILE . 18.4 Cg_endo -74.98 157.89 42.59 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.511 1.795 . . . . 0.0 111.034 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 332' ' ' ALA . . . . . 0.675 ' HB1' ' CB ' ' A' ' 321' ' ' PHE . . . -58.72 -32.8 69.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -63.24 -42.99 99.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 334' ' ' LYS . . . . . 0.49 ' O ' ' CG1' ' A' ' 338' ' ' ILE . 8.3 tttt -72.03 -47.4 52.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 335' ' ' ALA . . . . . . . . . . . . . . . -63.83 -31.01 72.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 336' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 332' ' ' ALA . 9.0 tt0 -71.05 -47.43 58.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.286 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 3.5 mmtp -69.35 -45.27 69.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 338' ' ' ILE . . . . . 0.49 ' CG1' ' O ' ' A' ' 334' ' ' LYS . 2.0 mm -60.46 -47.68 91.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 109.285 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 339' ' ' ALA . . . . . 0.493 ' HA ' HD21 ' A' ' 309' ' ' LEU . . . -58.06 -45.17 87.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.35 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.74 -42.28 82.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.009 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -63.11 -37.6 87.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.297 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 342' ' ' MET . . . . . 0.483 ' HG3' HD23 ' A' ' 309' ' ' LEU . 37.5 mmm -63.49 -41.63 98.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.996 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 343' ' ' ILE . . . . . . . . . . . . . 29.7 mt -65.19 -42.61 94.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 2.9 m -67.78 -32.64 73.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 110.394 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -79.89 -6.05 56.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 110.297 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 81.92 -7.6 62.45 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.536 1.148 . . . . 0.0 111.007 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 347' ' ' ARG . . . . . 0.56 ' O ' HD21 ' A' ' 310' ' ' LEU . 10.3 mtp180 -56.26 -45.17 80.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 0.776 . . . . 0.0 110.316 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 348' ' ' MET . . . . . 0.433 ' HG2' ' N ' ' A' ' 349' ' ' ASN . 13.3 ttm -112.55 142.59 44.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 111.038 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 349' ' ' ASN . . . . . 0.433 ' N ' ' HG2' ' A' ' 348' ' ' MET . 0.7 OUTLIER -106.29 131.03 54.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 134.72 -156.66 22.59 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 351' ' ' PHE . . . . . . . . . . . . . 36.4 p90 -146.03 164.98 30.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 0.754 . . . . 0.0 111.009 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 13.2 mt -104.18 127.85 58.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 0.0 109.345 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 353' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -89.88 109.99 20.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -88.24 -14.36 38.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.312 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 10.0 mt -70.31 -42.36 78.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.329 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -107.39 -13.12 15.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 357' ' ' GLY . . . . . 0.417 ' O ' ' CE2' ' A' ' 321' ' ' PHE . . . 71.3 30.23 67.4 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.527 1.142 . . . . 0.0 110.963 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 358' ' ' ILE . . . . . 0.784 HG12 HG22 ' A' ' 320' ' ' THR . 48.3 mt -112.89 146.57 17.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.55 0.794 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 359' ' ' VAL . . . . . . . . . . . . . 50.0 t -90.5 119.72 38.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 360' ' ' HIS . . . . . . . . . . . . . 22.0 m80 -87.43 110.85 20.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.593 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 361' ' ' PHE . . . . . 0.405 ' CG ' ' HA ' ' A' ' 313' ' ' SER . 12.3 m-85 -101.44 152.25 20.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.959 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 110.3 179.968 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 302' ' ' ARG . . . . . 0.47 ' HD2' ' CD1' ' A' ' 338' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -67.85 -36.31 80.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 304' ' ' VAL . . . . . . . . . . . . . 70.1 t -69.39 -46.37 76.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 305' ' ' ILE . . . . . 0.524 HG22 HG21 ' A' ' 338' ' ' ILE . 10.3 mt -60.45 -38.85 79.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -57.65 -48.62 78.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.318 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 21.2 t60 -70.87 -42.98 69.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.551 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 308' ' ' ASN . . . . . 0.488 ' CB ' HD23 ' A' ' 328' ' ' LEU . 9.0 m-20 -57.96 -38.99 77.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 309' ' ' LEU . . . . . 0.471 ' CD2' ' HA ' ' A' ' 339' ' ' ALA . 1.3 mp -62.76 -39.34 93.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 310' ' ' LEU . . . . . . . . . . . . . 23.5 mt -72.3 -41.47 66.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 311' ' ' SER . . . . . 0.572 ' O ' HD12 ' A' ' 315' ' ' LEU . 16.5 m -63.49 -45.06 92.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.975 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -69.37 -39.49 78.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 313' ' ' SER . . . . . 0.458 ' HA ' ' CG ' ' A' ' 361' ' ' PHE . 17.1 t -61.14 -26.56 67.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.985 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 314' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -94.91 -17.67 21.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 315' ' ' LEU . . . . . 0.572 HD12 ' O ' ' A' ' 311' ' ' SER . 6.5 mt -93.34 -87.85 0.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -59.15 153.85 17.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 110.978 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 317' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -85.79 -44.33 12.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.274 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -154.25 136.77 15.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 319' ' ' ILE . . . . . . . . . . . . . 18.1 tt -146.26 142.0 21.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 320' ' ' THR . . . . . 0.436 HG22 HG12 ' A' ' 358' ' ' ILE . 1.6 p -79.12 162.74 25.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.409 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 321' ' ' PHE . . . . . 0.743 ' HB3' ' HB1' ' A' ' 332' ' ' ALA . 71.7 m-85 -56.47 -39.01 72.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 111.003 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -61.16 -49.18 78.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.566 1.166 . . . . 0.0 110.308 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -72.01 -44.08 64.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.317 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 324' ' ' LEU . . . . . 0.567 ' O ' HD12 ' A' ' 328' ' ' LEU . 23.9 tp -57.32 -42.47 81.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 325' ' ' GLY . . . . . 0.469 ' O ' ' N ' ' A' ' 330' ' ' ILE . . . -74.1 -32.74 58.13 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.483 1.115 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -66.93 -29.1 68.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 0.773 . . . . 0.0 109.333 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 327' ' ' LEU . . . . . 0.487 ' O ' HD12 ' A' ' 327' ' ' LEU . 0.3 OUTLIER -75.72 -41.94 52.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.157 . . . . 0.0 109.261 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 328' ' ' LEU . . . . . 0.625 ' O ' HG23 ' A' ' 330' ' ' ILE . 0.1 OUTLIER -87.59 3.68 46.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.153 . . . . 0.0 109.293 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 64.9 10.02 5.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.288 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 330' ' ' ILE . . . . . 0.625 HG23 ' O ' ' A' ' 328' ' ' LEU . 2.6 pt -105.46 162.72 18.88 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 331' ' ' PRO . . . . . 0.478 ' HD2' ' CB ' ' A' ' 334' ' ' LYS . 18.3 Cg_endo -75.03 159.66 40.99 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.492 1.785 . . . . 0.0 110.999 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 332' ' ' ALA . . . . . 0.743 ' HB1' ' HB3' ' A' ' 321' ' ' PHE . . . -58.32 -36.94 74.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -61.83 -35.93 79.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 334' ' ' LYS . . . . . 0.478 ' CB ' ' HD2' ' A' ' 331' ' ' PRO . 0.0 OUTLIER -75.19 -47.97 25.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 335' ' ' ALA . . . . . 0.5 ' O ' ' CB ' ' A' ' 339' ' ' ALA . . . -64.33 -30.76 71.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -71.12 -47.11 59.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.341 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 28.5 tptt -66.3 -45.88 78.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 338' ' ' ILE . . . . . 0.524 HG21 HG22 ' A' ' 305' ' ' ILE . 90.1 mt -64.65 -47.3 89.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 339' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 335' ' ' ALA . . . -56.31 -43.79 79.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.78 -44.87 65.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 110.001 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.9 -35.64 75.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.328 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 342' ' ' MET . . . . . . . . . . . . . 9.2 mtp -62.61 -50.04 72.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 343' ' ' ILE . . . . . . . . . . . . . 35.7 mt -67.82 -37.49 78.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 1.8 m -62.19 -40.0 94.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.407 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -81.21 -7.26 59.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 110.337 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 84.85 -11.87 58.7 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.544 1.153 . . . . 0.0 110.958 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 347' ' ' ARG . . . . . . . . . . . . . 14.7 mtt-85 -48.19 -48.8 34.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 0.753 . . . . 0.0 110.276 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 39.7 ttp -106.25 152.43 23.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 111.014 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -110.1 133.5 53.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 130.73 -165.84 22.72 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.528 1.142 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 351' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -146.19 158.15 43.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 0.741 . . . . 0.0 110.979 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 28.1 mt -97.83 126.4 50.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 353' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -89.53 109.91 20.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -84.72 -20.39 31.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.446 1.091 . . . . 0.0 110.299 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 34.6 mt -66.85 -40.77 86.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.27 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -106.57 -14.74 14.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . 68.35 33.37 77.4 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.462 1.101 . . . . 0.0 111.016 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 358' ' ' ILE . . . . . 0.436 HG12 HG22 ' A' ' 320' ' ' THR . 58.9 mt -116.85 144.38 24.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.547 0.792 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 359' ' ' VAL . . . . . . . . . . . . . 69.0 t -90.09 122.48 41.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.33 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 360' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -93.86 111.02 22.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.572 1.17 . . . . 0.0 109.558 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 361' ' ' PHE . . . . . 0.458 ' CG ' ' HA ' ' A' ' 313' ' ' SER . 12.2 m-85 -99.66 156.46 17.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 0.0 110.319 179.975 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 302' ' ' ARG . . . . . . . . . . . . . 5.9 tpp85 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.35 -0.241 . . . . 0.0 110.35 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -68.84 -32.0 71.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.252 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 304' ' ' VAL . . . . . . . . . . . . . 50.3 t -71.91 -46.42 60.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 109.344 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 305' ' ' ILE . . . . . 0.817 HG23 HD13 ' A' ' 328' ' ' LEU . 4.7 mt -60.05 -43.09 91.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 306' ' ' GLU . . . . . 0.457 ' O ' ' HE3' ' A' ' 342' ' ' MET . 0.9 OUTLIER -61.95 -44.48 96.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 110.323 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 26.8 t60 -69.02 -48.77 62.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.622 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 308' ' ' ASN . . . . . 0.473 ' HB3' ' CD2' ' A' ' 328' ' ' LEU . 1.2 m-80 -54.83 -38.49 67.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 309' ' ' LEU . . . . . 0.704 HD13 HG22 ' A' ' 338' ' ' ILE . 0.9 OUTLIER -62.76 -38.63 91.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 310' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 310' ' ' LEU . 22.3 mt -73.35 -38.16 65.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 311' ' ' SER . . . . . 0.837 ' O ' HD12 ' A' ' 315' ' ' LEU . 0.8 OUTLIER -68.37 -45.06 73.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.054 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -65.91 -24.43 66.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 313' ' ' SER . . . . . 0.484 ' HA ' ' CG ' ' A' ' 361' ' ' PHE . 11.7 t -67.77 -43.03 80.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.034 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 314' ' ' LYS . . . . . . . . . . . . . 28.1 mtmt -101.92 35.23 2.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.26 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 315' ' ' LEU . . . . . 0.837 HD12 ' O ' ' A' ' 311' ' ' SER . 6.3 mt -137.29 -69.42 0.46 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.12 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -79.61 154.34 28.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.15 . . . . 0.0 110.985 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 317' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -82.52 -38.82 23.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.247 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -166.42 135.71 3.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 319' ' ' ILE . . . . . 0.496 HD11 ' N ' ' A' ' 324' ' ' LEU . 1.4 tt -146.55 143.24 20.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 320' ' ' THR . . . . . 0.565 HG23 ' H ' ' A' ' 323' ' ' GLU . 5.4 t -86.31 168.98 13.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 110.418 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 321' ' ' PHE . . . . . 0.879 ' CB ' ' HB1' ' A' ' 332' ' ' ALA . 29.8 m-85 -61.31 -39.12 89.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 111.027 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -59.4 -49.05 79.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.317 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 323' ' ' GLU . . . . . 0.565 ' H ' HG23 ' A' ' 320' ' ' THR . 71.6 mm-40 -70.94 -48.19 54.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.309 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 324' ' ' LEU . . . . . 0.949 ' CD2' HD11 ' A' ' 328' ' ' LEU . 4.1 tt -57.21 -42.51 81.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 325' ' ' GLY . . . . . 0.485 ' O ' ' N ' ' A' ' 330' ' ' ILE . . . -68.37 -32.32 75.45 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.514 1.134 . . . . 0.0 110.976 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -71.34 -26.19 62.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 0.792 . . . . 0.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 327' ' ' LEU . . . . . 0.453 ' O ' HD12 ' A' ' 327' ' ' LEU . 0.6 OUTLIER -75.62 -38.59 58.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 328' ' ' LEU . . . . . 0.949 HD11 ' CD2' ' A' ' 324' ' ' LEU . 0.1 OUTLIER -95.09 3.92 54.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 65.55 9.05 5.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 110.293 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 330' ' ' ILE . . . . . 0.594 HG23 ' O ' ' A' ' 328' ' ' LEU . 3.8 pt -102.97 163.41 17.59 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 109.352 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 331' ' ' PRO . . . . . 0.48 ' HD2' ' CB ' ' A' ' 334' ' ' LYS . 18.3 Cg_endo -75.02 160.08 40.51 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.485 1.782 . . . . 0.0 110.954 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 332' ' ' ALA . . . . . 0.879 ' HB1' ' CB ' ' A' ' 321' ' ' PHE . . . -58.45 -37.79 76.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.265 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -61.12 -35.57 77.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.335 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 334' ' ' LYS . . . . . 0.48 ' CB ' ' HD2' ' A' ' 331' ' ' PRO . 0.0 OUTLIER -75.47 -47.93 24.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 335' ' ' ALA . . . . . 0.532 ' HB1' HD22 ' A' ' 324' ' ' LEU . . . -64.44 -32.36 73.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 336' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 332' ' ' ALA . 5.0 tt0 -70.57 -47.1 61.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.304 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 6.2 mmtm -61.84 -45.52 93.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.361 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 338' ' ' ILE . . . . . 0.704 HG22 HD13 ' A' ' 309' ' ' LEU . 58.2 mt -69.51 -43.48 80.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 339' ' ' ALA . . . . . 0.512 ' HB2' ' O ' ' A' ' 335' ' ' ALA . . . -57.26 -43.64 83.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.28 -43.42 70.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 110.013 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.47 -38.15 80.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.264 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 342' ' ' MET . . . . . 0.457 ' HE3' ' O ' ' A' ' 306' ' ' GLU . 0.0 OUTLIER -63.21 -43.1 99.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 111.0 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 343' ' ' ILE . . . . . . . . . . . . . 51.7 mt -68.25 -41.96 84.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 1.2 m -70.47 -29.18 65.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.416 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -79.89 -9.41 59.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.336 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 83.98 -12.76 52.42 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.499 1.125 . . . . 0.0 111.035 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 347' ' ' ARG . . . . . . . . . . . . . 36.3 mtt-85 -54.69 -44.52 73.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 0.776 . . . . 0.0 110.299 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 348' ' ' MET . . . . . 0.457 ' HG2' ' N ' ' A' ' 349' ' ' ASN . 6.2 ttm -112.92 144.07 43.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 111.025 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 349' ' ' ASN . . . . . 0.457 ' N ' ' HG2' ' A' ' 348' ' ' MET . 0.6 OUTLIER -108.59 129.43 55.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 142.34 -161.33 27.31 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.484 1.115 . . . . 0.0 111.006 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 351' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -146.13 162.6 37.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 0.735 . . . . 0.0 111.025 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 12.0 mt -104.05 121.08 55.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 353' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -84.51 109.88 18.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.29 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -86.03 -15.04 42.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.298 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 10.7 mm -69.47 -40.81 80.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.33 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -108.93 -15.01 14.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . 71.71 31.1 65.38 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.523 1.139 . . . . 0.0 110.998 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 358' ' ' ILE . . . . . . . . . . . . . 64.6 mt -114.46 140.6 34.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.47 0.747 . . . . 0.0 109.35 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 359' ' ' VAL . . . . . . . . . . . . . 69.3 t -83.31 121.23 35.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.336 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 360' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -88.79 110.94 21.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.612 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 361' ' ' PHE . . . . . 0.484 ' CG ' ' HA ' ' A' ' 313' ' ' SER . 10.1 m-85 -101.63 151.39 22.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.299 -179.969 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 302' ' ' ARG . . . . . . . . . . . . . 9.6 tpp85 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -58.87 -34.23 71.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 109.294 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 304' ' ' VAL . . . . . 0.418 ' O ' ' ND2' ' A' ' 308' ' ' ASN . 30.1 t -72.01 -42.52 68.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 305' ' ' ILE . . . . . 0.573 HG21 ' CD1' ' A' ' 338' ' ' ILE . 1.7 mp -66.36 -40.05 85.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.252 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -66.54 -50.48 63.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.288 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 65.0 t60 -59.4 -48.36 81.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.661 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 308' ' ' ASN . . . . . 0.516 ' CB ' ' CD2' ' A' ' 328' ' ' LEU . 2.1 m120 -54.83 -38.54 67.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.276 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 309' ' ' LEU . . . . . 0.735 HD22 HG22 ' A' ' 338' ' ' ILE . 1.5 tp -62.92 -39.66 95.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 109.345 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 310' ' ' LEU . . . . . 0.555 HD21 ' O ' ' A' ' 347' ' ' ARG . 22.1 mt -74.09 -42.13 60.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 29.2 m -66.19 -40.98 90.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.014 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -64.24 -26.46 68.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 313' ' ' SER . . . . . 0.53 ' HA ' ' CG ' ' A' ' 361' ' ' PHE . 19.1 t -63.74 -31.2 72.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.028 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 314' ' ' LYS . . . . . . . . . . . . . 5.7 mtmt -107.03 36.6 2.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 12.2 mt -139.65 -63.17 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -100.16 136.86 39.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 317' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -71.76 -39.09 70.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -151.33 135.52 16.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 319' ' ' ILE . . . . . 0.922 ' O ' HG22 ' A' ' 359' ' ' VAL . 18.4 tt -146.49 147.16 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.337 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 320' ' ' THR . . . . . 0.487 HG23 ' H ' ' A' ' 323' ' ' GLU . 15.2 t -91.57 161.87 14.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.416 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 321' ' ' PHE . . . . . 0.62 ' HB2' ' HB1' ' A' ' 332' ' ' ALA . 22.3 m-85 -57.61 -35.11 70.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.995 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -62.78 -49.2 75.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 323' ' ' GLU . . . . . 0.487 ' H ' HG23 ' A' ' 320' ' ' THR . 6.5 mm-40 -71.21 -47.56 56.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.309 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 324' ' ' LEU . . . . . 0.746 HD22 HG21 ' A' ' 359' ' ' VAL . 17.7 tp -57.21 -41.83 80.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 325' ' ' GLY . . . . . 0.511 ' O ' ' N ' ' A' ' 330' ' ' ILE . . . -74.88 -33.09 56.04 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.468 1.105 . . . . 0.0 111.037 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -70.56 -26.52 63.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 0.758 . . . . 0.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 327' ' ' LEU . . . . . 0.505 ' O ' HD12 ' A' ' 327' ' ' LEU . 0.4 OUTLIER -76.17 -40.3 52.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 328' ' ' LEU . . . . . 0.516 ' CD2' ' CB ' ' A' ' 308' ' ' ASN . 0.1 OUTLIER -93.31 3.18 56.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.137 . . . . 0.0 109.304 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 329' ' ' GLU . . . . . 0.431 ' HB2' ' O ' ' A' ' 328' ' ' LEU . 3.3 mm-40 67.89 6.79 5.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 110.272 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 330' ' ' ILE . . . . . 0.511 ' N ' ' O ' ' A' ' 325' ' ' GLY . 11.2 pt -96.47 159.71 31.25 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.361 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 331' ' ' PRO . . . . . 0.467 ' HD2' ' CB ' ' A' ' 334' ' ' LYS . 18.2 Cg_endo -75.05 159.04 41.63 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.458 1.768 . . . . 0.0 110.987 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 332' ' ' ALA . . . . . 0.62 ' HB1' ' HB2' ' A' ' 321' ' ' PHE . . . -58.11 -35.44 71.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.156 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -63.29 -36.13 82.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 334' ' ' LYS . . . . . 0.467 ' CB ' ' HD2' ' A' ' 331' ' ' PRO . 0.0 OUTLIER -75.41 -48.56 22.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 335' ' ' ALA . . . . . 0.517 ' O ' ' CB ' ' A' ' 339' ' ' ALA . . . -64.51 -32.16 73.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 336' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 332' ' ' ALA . 4.7 tt0 -71.2 -47.16 59.09 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.135 . . . . 0.0 110.295 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.69 -45.88 81.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 338' ' ' ILE . . . . . 0.735 HG22 HD22 ' A' ' 309' ' ' LEU . 79.8 mt -65.63 -46.73 88.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 339' ' ' ALA . . . . . 0.612 ' HB3' HD11 ' A' ' 352' ' ' ILE . . . -56.2 -45.01 79.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.355 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.41 -43.49 66.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.098 . . . . 0.0 109.98 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -60.07 -41.53 92.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.581 1.176 . . . . 0.0 110.321 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 342' ' ' MET . . . . . 0.535 ' HG3' HD23 ' A' ' 309' ' ' LEU . 25.9 mmm -62.85 -46.88 85.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.981 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 343' ' ' ILE . . . . . 0.472 HG13 ' HE2' ' A' ' 348' ' ' MET . 65.5 mt -66.33 -40.82 87.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.552 1.158 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 6.7 m -68.58 -28.86 67.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.371 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 345' ' ' GLU . . . . . 0.433 ' OE2' ' NH2' ' A' ' 347' ' ' ARG . 4.1 mt-10 -86.15 -8.12 58.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.301 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 88.49 -19.86 34.03 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 347' ' ' ARG . . . . . 0.555 ' O ' HD21 ' A' ' 310' ' ' LEU . 80.1 mtt180 -45.77 -50.56 13.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 0.724 . . . . 0.0 110.297 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 348' ' ' MET . . . . . 0.472 ' HE2' HG13 ' A' ' 343' ' ' ILE . 37.1 ttp -106.33 151.19 25.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 111.028 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -110.37 132.0 54.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.138 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 133.56 -164.2 24.34 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.476 1.11 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 351' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -145.99 154.65 42.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 0.771 . . . . 0.0 110.98 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 352' ' ' ILE . . . . . 0.746 HG12 HG12 ' A' ' 359' ' ' VAL . 11.0 mt -95.2 118.42 41.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 353' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 357' ' ' GLY . 58.8 t0 -82.34 112.22 19.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -82.94 -15.55 50.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.332 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 35.2 mt -71.78 -40.77 69.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.329 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -109.75 -14.97 14.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 357' ' ' GLY . . . . . 0.541 ' O ' ' CE2' ' A' ' 321' ' ' PHE . . . 66.53 34.01 86.35 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.502 1.126 . . . . 0.0 111.028 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 358' ' ' ILE . . . . . . . . . . . . . 92.1 mt -118.07 140.33 41.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 0.775 . . . . 0.0 109.325 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 359' ' ' VAL . . . . . 0.922 HG22 ' O ' ' A' ' 319' ' ' ILE . 31.0 m -83.53 137.81 20.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 360' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -111.86 122.06 46.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.583 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 361' ' ' PHE . . . . . 0.53 ' CG ' ' HA ' ' A' ' 313' ' ' SER . 22.7 m-85 -103.44 156.33 17.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.971 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 110.307 179.978 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 302' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -60.95 -39.83 91.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.341 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 304' ' ' VAL . . . . . . . . . . . . . 45.7 t -65.13 -46.48 90.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 305' ' ' ILE . . . . . 0.632 HG23 HD13 ' A' ' 328' ' ' LEU . 11.7 mt -59.9 -43.13 91.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -66.76 -46.29 75.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.327 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 18.2 t60 -62.65 -48.95 77.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.662 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 308' ' ' ASN . . . . . 0.429 ' HB3' ' CD2' ' A' ' 328' ' ' LEU . 2.0 m-20 -54.94 -36.88 65.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 309' ' ' LEU . . . . . 0.88 HD21 HD21 ' A' ' 324' ' ' LEU . 0.6 OUTLIER -64.5 -40.38 95.53 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 310' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 310' ' ' LEU . 20.0 mt -73.92 -41.91 61.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 311' ' ' SER . . . . . 0.724 ' O ' HD12 ' A' ' 315' ' ' LEU . 0.3 OUTLIER -68.15 -37.46 81.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.015 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -76.03 -27.77 57.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.341 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 313' ' ' SER . . . . . 0.551 ' HA ' ' CG ' ' A' ' 361' ' ' PHE . 5.2 t -68.27 -21.48 64.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.985 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 314' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.21 -9.09 24.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 315' ' ' LEU . . . . . 0.724 HD12 ' O ' ' A' ' 311' ' ' SER . 2.8 mt -102.11 -79.47 0.52 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -66.24 138.27 57.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 111.013 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 317' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -79.13 -38.04 37.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -151.57 135.37 16.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.442 1.089 . . . . 0.0 109.347 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 319' ' ' ILE . . . . . 1.006 ' O ' HG22 ' A' ' 359' ' ' VAL . 16.0 tt -146.66 147.44 17.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.359 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 320' ' ' THR . . . . . 0.445 HG23 ' H ' ' A' ' 323' ' ' GLU . 12.7 t -95.17 163.93 13.07 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.135 . . . . 0.0 110.402 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 321' ' ' PHE . . . . . 0.729 ' CB ' ' HB1' ' A' ' 332' ' ' ALA . 19.1 m-85 -55.86 -38.72 70.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 111.034 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -60.36 -49.35 77.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 110.285 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 323' ' ' GLU . . . . . 0.445 ' H ' HG23 ' A' ' 320' ' ' THR . 41.2 mt-10 -71.98 -46.03 58.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 110.33 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 324' ' ' LEU . . . . . 0.88 HD21 HD21 ' A' ' 309' ' ' LEU . 15.5 tp -57.39 -41.44 80.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 325' ' ' GLY . . . . . 0.492 ' O ' ' N ' ' A' ' 330' ' ' ILE . . . -73.52 -32.53 59.56 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.573 1.171 . . . . 0.0 111.011 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -70.82 -26.95 63.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 0.772 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -76.03 -39.98 54.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 328' ' ' LEU . . . . . 0.632 HD13 HG23 ' A' ' 305' ' ' ILE . 0.1 OUTLIER -94.26 3.16 55.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 66.17 8.27 5.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 110.297 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 330' ' ' ILE . . . . . 0.522 HG23 ' O ' ' A' ' 328' ' ' LEU . 7.3 pt -98.16 164.04 18.06 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 331' ' ' PRO . . . . . 0.489 ' HD2' ' HB ' ' A' ' 330' ' ' ILE . 18.3 Cg_endo -74.99 156.48 43.03 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.478 1.778 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 332' ' ' ALA . . . . . 0.729 ' HB1' ' CB ' ' A' ' 321' ' ' PHE . . . -58.54 -31.7 68.18 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -65.26 -39.28 92.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.271 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 334' ' ' LYS . . . . . 0.403 ' O ' HG13 ' A' ' 338' ' ' ILE . 5.3 tptt -74.66 -48.24 27.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 335' ' ' ALA . . . . . 0.505 ' O ' ' CB ' ' A' ' 339' ' ' ALA . . . -65.34 -30.29 71.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 336' ' ' GLU . . . . . 0.502 ' CB ' ' O ' ' A' ' 332' ' ' ALA . 33.0 tt0 -69.05 -47.43 65.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.571 1.169 . . . . 0.0 110.315 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 37.2 tptt -69.79 -46.17 66.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 338' ' ' ILE . . . . . 0.595 HG22 HD13 ' A' ' 309' ' ' LEU . 94.9 mt -61.97 -47.3 93.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.344 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 339' ' ' ALA . . . . . 0.505 ' CB ' ' O ' ' A' ' 335' ' ' ALA . . . -55.99 -44.2 78.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.52 -43.69 66.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.953 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -60.29 -38.0 82.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.288 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 342' ' ' MET . . . . . 0.403 ' HE2' ' HB3' ' A' ' 347' ' ' ARG . 4.1 mtp -62.66 -46.61 87.38 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 0.0 110.946 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 343' ' ' ILE . . . . . 0.405 ' CG1' ' HB3' ' A' ' 348' ' ' MET . 43.1 mt -65.84 -38.04 81.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 3.0 m -72.72 -26.84 61.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 110.422 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -80.9 -9.01 59.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 90.17 -26.74 9.41 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.469 1.106 . . . . 0.0 111.017 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 347' ' ' ARG . . . . . 0.403 ' HB3' ' HE2' ' A' ' 342' ' ' MET . 53.2 mtt-85 -42.9 -55.85 3.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 0.739 . . . . 0.0 110.31 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 348' ' ' MET . . . . . 0.405 ' HB3' ' CG1' ' A' ' 343' ' ' ILE . 1.7 ttp -91.11 -175.57 4.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.969 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -153.2 129.26 10.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 136.51 -157.47 23.61 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.521 1.138 . . . . 0.0 111.006 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 351' ' ' PHE . . . . . 0.733 ' CE2' ' CG ' ' A' ' 360' ' ' HIS . 1.9 p90 -136.32 155.33 50.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 0.78 . . . . 0.0 110.956 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 352' ' ' ILE . . . . . 0.782 HG12 HG12 ' A' ' 359' ' ' VAL . 3.9 mt -105.93 108.78 25.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 109.261 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 353' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 357' ' ' GLY . 3.0 t0 -71.96 111.87 7.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -84.79 -33.94 22.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 0.0 110.334 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 61.9 mt -62.13 -31.87 52.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -110.84 -15.05 13.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.424 1.078 . . . . 0.0 109.293 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 357' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 353' ' ' ASP . . . 65.95 34.14 87.66 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.456 1.098 . . . . 0.0 110.988 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 358' ' ' ILE . . . . . . . . . . . . . 15.3 mt -115.36 160.14 14.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.535 0.785 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 359' ' ' VAL . . . . . 1.006 HG22 ' O ' ' A' ' 319' ' ' ILE . 27.0 m -109.2 135.78 47.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.085 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 360' ' ' HIS . . . . . 0.733 ' CG ' ' CE2' ' A' ' 351' ' ' PHE . 11.8 m-70 -104.35 112.42 25.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.594 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 361' ' ' PHE . . . . . 0.551 ' CG ' ' HA ' ' A' ' 313' ' ' SER . 17.5 m-85 -96.25 150.19 20.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.343 179.989 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 302' ' ' ARG . . . . . 0.64 ' HA ' HD12 ' A' ' 305' ' ' ILE . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -62.16 -35.06 77.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 304' ' ' VAL . . . . . . . . . . . . . 40.1 t -62.98 -46.38 96.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 305' ' ' ILE . . . . . 0.79 ' HA ' HD22 ' A' ' 328' ' ' LEU . 3.3 mt -61.62 -47.22 94.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.341 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -57.78 -47.0 83.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 110.325 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 28.0 t60 -66.56 -48.81 68.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.674 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 308' ' ' ASN . . . . . 0.469 ' HB2' ' CD2' ' A' ' 328' ' ' LEU . 2.2 m120 -55.46 -38.28 68.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 309' ' ' LEU . . . . . 0.632 HD22 HG22 ' A' ' 338' ' ' ILE . 1.1 mp -62.91 -38.2 90.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 310' ' ' LEU . . . . . 0.584 HD21 ' O ' ' A' ' 347' ' ' ARG . 20.2 mt -74.16 -42.1 60.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 5.1 m -65.72 -45.23 83.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.979 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -67.54 -21.87 65.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.107 . . . . 0.0 109.32 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 313' ' ' SER . . . . . 0.535 ' HA ' ' CG ' ' A' ' 361' ' ' PHE . 27.8 t -74.2 -27.01 60.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.969 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 314' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.37 -7.26 22.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.593 1.183 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 1.5 mt -101.57 -79.14 0.52 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -73.51 135.73 44.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 317' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -74.15 -40.27 62.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -148.13 135.41 20.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 319' ' ' ILE . . . . . 0.927 ' O ' HG22 ' A' ' 359' ' ' VAL . 14.0 tt -146.61 147.62 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 320' ' ' THR . . . . . 0.441 HG23 ' H ' ' A' ' 323' ' ' GLU . 12.6 t -94.92 166.84 11.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 110.405 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 321' ' ' PHE . . . . . 0.814 ' CB ' ' HB1' ' A' ' 332' ' ' ALA . 22.5 m-85 -58.33 -37.28 74.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 110.989 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -61.79 -50.09 73.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.293 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 323' ' ' GLU . . . . . 0.441 ' H ' HG23 ' A' ' 320' ' ' THR . 6.0 mm-40 -72.78 -45.19 59.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.279 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 324' ' ' LEU . . . . . 0.892 HD22 HG21 ' A' ' 359' ' ' VAL . 11.5 tp -57.4 -42.36 82.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.243 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 325' ' ' GLY . . . . . 0.494 ' O ' ' N ' ' A' ' 330' ' ' ILE . . . -74.96 -33.29 55.4 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.456 1.097 . . . . 0.0 111.039 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -64.3 -31.55 72.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 0.766 . . . . 0.0 109.334 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 327' ' ' LEU . . . . . 0.51 ' O ' HD12 ' A' ' 327' ' ' LEU . 0.4 OUTLIER -75.73 -40.32 55.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 328' ' ' LEU . . . . . 0.881 ' O ' HG23 ' A' ' 330' ' ' ILE . 0.1 OUTLIER -87.58 10.57 17.49 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.464 1.102 . . . . 0.0 109.336 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 56.64 17.13 2.94 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 110.314 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 330' ' ' ILE . . . . . 0.881 HG23 ' O ' ' A' ' 328' ' ' LEU . 2.2 pt -112.55 165.58 12.77 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 331' ' ' PRO . . . . . 0.492 ' HD2' ' CB ' ' A' ' 334' ' ' LYS . 18.1 Cg_endo -75.05 161.23 38.97 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.49 1.784 . . . . 0.0 110.978 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 332' ' ' ALA . . . . . 0.814 ' HB1' ' CB ' ' A' ' 321' ' ' PHE . . . -58.56 -39.15 79.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -60.01 -37.61 80.23 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.454 1.096 . . . . 0.0 109.331 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 334' ' ' LYS . . . . . 0.492 ' CB ' ' HD2' ' A' ' 331' ' ' PRO . 3.3 tptt -73.27 -47.93 38.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 335' ' ' ALA . . . . . 0.407 ' O ' ' CB ' ' A' ' 339' ' ' ALA . . . -64.82 -30.5 71.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 336' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 332' ' ' ALA . 29.0 tt0 -70.54 -44.36 67.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.303 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 35.0 tptt -68.47 -46.19 70.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 338' ' ' ILE . . . . . 0.632 HG21 HG22 ' A' ' 305' ' ' ILE . 85.3 mt -63.19 -47.13 93.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 339' ' ' ALA . . . . . 0.563 ' HB3' HD11 ' A' ' 352' ' ' ILE . . . -56.71 -42.1 78.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.4 -50.45 31.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.984 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.91 -35.61 75.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 110.307 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 342' ' ' MET . . . . . . . . . . . . . 18.7 mmm -62.54 -47.07 85.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 110.966 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 343' ' ' ILE . . . . . . . . . . . . . 62.8 mt -68.1 -36.87 77.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.477 1.11 . . . . 0.0 109.322 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 6.9 m -66.25 -32.86 74.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.419 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -80.07 -8.69 59.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.275 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 85.68 -12.86 58.23 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.501 1.126 . . . . 0.0 111.016 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 347' ' ' ARG . . . . . 0.584 ' O ' HD21 ' A' ' 310' ' ' LEU . 9.9 mtp180 -53.64 -47.53 70.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 0.771 . . . . 0.0 110.304 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 33.4 ttp -106.91 147.47 29.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.989 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -110.51 132.12 54.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 137.54 -162.23 25.43 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.449 1.093 . . . . 0.0 110.987 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 351' ' ' PHE . . . . . . . . . . . . . 9.6 p90 -146.11 151.69 38.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 0.776 . . . . 0.0 110.967 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 352' ' ' ILE . . . . . 0.679 HG12 HG12 ' A' ' 359' ' ' VAL . 10.4 mt -94.99 126.97 47.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 353' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 357' ' ' GLY . 59.5 t0 -91.47 110.04 21.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -81.82 -14.81 55.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 110.335 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 24.9 mt -70.17 -42.0 79.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.245 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -110.76 -14.32 14.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 357' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 353' ' ' ASP . . . 69.14 34.12 75.2 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.514 1.134 . . . . 0.0 111.026 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 358' ' ' ILE . . . . . . . . . . . . . 74.1 mt -117.76 140.41 41.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.54 0.788 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 359' ' ' VAL . . . . . 0.927 HG22 ' O ' ' A' ' 319' ' ' ILE . 30.7 m -81.25 136.18 23.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 360' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -108.76 111.35 23.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.645 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 361' ' ' PHE . . . . . 0.535 ' CG ' ' HA ' ' A' ' 313' ' ' SER . 21.4 m-85 -93.08 155.89 17.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.248 -179.961 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 302' ' ' ARG . . . . . 0.423 ' NH1' ' HE2' ' A' ' 334' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -71.23 -36.46 71.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 304' ' ' VAL . . . . . . . . . . . . . 47.8 t -66.47 -46.69 85.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 305' ' ' ILE . . . . . 0.697 HG23 HD13 ' A' ' 328' ' ' LEU . 7.6 mt -60.13 -43.37 92.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 306' ' ' GLU . . . . . 0.445 ' OE2' ' NH1' ' A' ' 347' ' ' ARG . 1.7 mt-10 -59.83 -48.54 81.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.34 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 23.5 t60 -66.72 -49.89 64.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.637 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 308' ' ' ASN . . . . . 0.504 ' HB3' HD21 ' A' ' 328' ' ' LEU . 0.9 OUTLIER -55.3 -36.75 66.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 309' ' ' LEU . . . . . 0.786 HD21 HD21 ' A' ' 324' ' ' LEU . 1.3 mt -65.19 -40.93 94.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.082 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 310' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 310' ' ' LEU . 20.4 mt -74.07 -42.04 60.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 311' ' ' SER . . . . . 0.519 ' O ' HD12 ' A' ' 315' ' ' LEU . 0.5 OUTLIER -67.51 -42.42 82.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.028 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -67.09 -22.1 65.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 313' ' ' SER . . . . . 0.545 ' HA ' ' CG ' ' A' ' 361' ' ' PHE . 28.7 t -73.94 -33.39 63.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.997 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 314' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -90.41 -8.85 49.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 315' ' ' LEU . . . . . 0.519 HD12 ' O ' ' A' ' 311' ' ' SER . 4.3 mt -99.15 -77.99 0.51 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -74.94 134.97 41.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 317' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -70.62 -43.08 70.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.086 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -150.88 135.33 17.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 319' ' ' ILE . . . . . 0.554 HG22 ' CE2' ' A' ' 361' ' ' PHE . 16.4 tt -146.74 147.21 18.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 320' ' ' THR . . . . . 0.491 HG23 ' H ' ' A' ' 323' ' ' GLU . 12.3 t -89.21 167.08 13.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.367 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 321' ' ' PHE . . . . . 0.838 ' CB ' ' HB1' ' A' ' 332' ' ' ALA . 36.3 m-85 -61.72 -35.36 77.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.956 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -62.14 -49.16 76.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.277 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 323' ' ' GLU . . . . . 0.491 ' H ' HG23 ' A' ' 320' ' ' THR . 16.8 mm-40 -71.62 -47.0 57.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 110.29 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 324' ' ' LEU . . . . . 0.786 HD21 HD21 ' A' ' 309' ' ' LEU . 21.0 tp -57.2 -41.9 80.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 325' ' ' GLY . . . . . 0.488 ' O ' ' N ' ' A' ' 330' ' ' ILE . . . -73.09 -32.59 60.34 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.514 1.134 . . . . 0.0 111.028 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -68.52 -28.6 67.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 0.791 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.0 -41.83 49.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 328' ' ' LEU . . . . . 0.697 HD13 HG23 ' A' ' 305' ' ' ILE . 0.2 OUTLIER -89.34 3.27 52.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 109.312 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 64.74 10.56 6.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 330' ' ' ILE . . . . . 0.602 HG23 ' O ' ' A' ' 328' ' ' LEU . 3.4 pt -103.56 163.14 18.03 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 331' ' ' PRO . . . . . 0.419 ' HD2' ' HB ' ' A' ' 330' ' ' ILE . 18.3 Cg_endo -74.98 158.32 42.33 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.487 1.783 . . . . 0.0 110.985 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 332' ' ' ALA . . . . . 0.838 ' HB1' ' CB ' ' A' ' 321' ' ' PHE . . . -58.53 -40.6 83.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.36 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -58.21 -35.07 71.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 334' ' ' LYS . . . . . 0.47 ' CG ' HD12 ' A' ' 330' ' ' ILE . 9.7 tptm -75.33 -48.01 25.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 335' ' ' ALA . . . . . 0.516 ' O ' ' CB ' ' A' ' 339' ' ' ALA . . . -63.97 -32.59 74.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 336' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 332' ' ' ALA . 12.1 tt0 -68.28 -47.28 68.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.309 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 6.1 tppt? -63.52 -45.3 91.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.348 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 338' ' ' ILE . . . . . 0.597 HG22 ' CD1' ' A' ' 309' ' ' LEU . 70.0 mt -68.83 -44.61 81.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 339' ' ' ALA . . . . . 0.516 ' CB ' ' O ' ' A' ' 335' ' ' ALA . . . -56.67 -44.86 81.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.07 -40.77 71.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.026 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -61.65 -37.86 85.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.331 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 342' ' ' MET . . . . . . . . . . . . . 8.4 mtp -62.88 -46.93 85.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 111.028 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 343' ' ' ILE . . . . . . . . . . . . . 55.0 mt -68.04 -34.27 65.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.107 . . . . 0.0 109.28 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -71.17 -31.52 67.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.434 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -83.6 -8.96 59.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.322 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 88.18 -19.98 32.15 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.514 1.134 . . . . 0.0 111.0 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 347' ' ' ARG . . . . . 0.445 ' NH1' ' OE2' ' A' ' 306' ' ' GLU . 78.2 mtt180 -44.46 -51.06 9.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 0.771 . . . . 0.0 110.338 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 29.8 ttp -103.44 151.05 23.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.974 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -113.78 132.01 56.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.267 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 134.86 -159.94 24.11 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.498 1.124 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 351' ' ' PHE . . . . . . . . . . . . . 9.6 p90 -146.14 164.74 31.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 0.733 . . . . 0.0 111.006 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 17.7 mt -104.29 125.03 59.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.336 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 353' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -88.67 110.03 20.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.125 . . . . 0.0 109.252 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -83.01 -16.45 47.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 14.4 mt -69.99 -41.67 79.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.27 -13.3 14.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 357' ' ' GLY . . . . . 0.423 ' O ' ' CE2' ' A' ' 321' ' ' PHE . . . 67.45 29.65 74.33 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.563 1.164 . . . . 0.0 111.019 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 358' ' ' ILE . . . . . . . . . . . . . 70.9 mt -112.64 145.32 18.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.499 0.764 . . . . 0.0 109.275 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 359' ' ' VAL . . . . . . . . . . . . . 71.2 t -87.72 128.56 40.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 360' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -98.06 110.96 23.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.574 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 361' ' ' PHE . . . . . 0.554 ' CE2' HG22 ' A' ' 319' ' ' ILE . 16.4 m-85 -94.11 150.21 20.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 111.017 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 110.284 -179.999 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 302' ' ' ARG . . . . . . . . . . . . . 13.8 tpp180 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -58.81 -34.02 71.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 304' ' ' VAL . . . . . . . . . . . . . 25.0 t -71.19 -43.65 74.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 305' ' ' ILE . . . . . 0.531 ' N ' HD12 ' A' ' 305' ' ' ILE . 1.6 mp -63.76 -40.06 87.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -69.56 -50.74 41.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 110.285 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 60.8 t60 -59.16 -48.6 81.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 109.584 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 308' ' ' ASN . . . . . 0.453 ' HB3' HD23 ' A' ' 328' ' ' LEU . 9.6 m120 -55.13 -39.88 69.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 309' ' ' LEU . . . . . 0.473 HD22 HG22 ' A' ' 338' ' ' ILE . 1.1 tp -62.78 -42.19 99.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 310' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 310' ' ' LEU . 18.8 mt -71.8 -35.37 69.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 311' ' ' SER . . . . . 0.716 ' O ' HD12 ' A' ' 315' ' ' LEU . 0.1 OUTLIER -71.92 -44.82 63.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.998 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -61.58 -27.9 68.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 313' ' ' SER . . . . . 0.571 ' HA ' ' CD1' ' A' ' 361' ' ' PHE . 43.2 t -65.11 -45.0 86.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.02 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 314' ' ' LYS . . . . . . . . . . . . . 4.8 mttp -101.58 36.67 1.98 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.256 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 315' ' ' LEU . . . . . 0.716 HD12 ' O ' ' A' ' 311' ' ' SER . 9.0 mt -138.63 -62.95 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -93.5 153.23 18.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 110.982 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 317' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -88.28 -41.22 13.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -153.45 135.69 14.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 319' ' ' ILE . . . . . 0.782 HG23 HD12 ' A' ' 324' ' ' LEU . 17.7 tt -146.52 144.37 20.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 320' ' ' THR . . . . . . . . . . . . . 81.1 p -88.45 160.67 17.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.43 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 321' ' ' PHE . . . . . 0.681 ' HB3' ' HB1' ' A' ' 332' ' ' ALA . 52.8 m-85 -55.81 -35.01 65.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 111.016 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -66.31 -49.08 68.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 110.274 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -70.73 -43.81 68.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.34 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 324' ' ' LEU . . . . . 0.782 HD12 HG23 ' A' ' 319' ' ' ILE . 1.1 tt -57.15 -44.14 83.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 325' ' ' GLY . . . . . 0.493 ' O ' ' N ' ' A' ' 330' ' ' ILE . . . -68.62 -32.48 74.74 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.514 1.134 . . . . 0.0 110.996 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -71.39 -25.86 62.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 0.78 . . . . 0.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 1.2 tp -75.94 -38.25 57.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.16 . . . . 0.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 328' ' ' LEU . . . . . 0.718 HD11 HD23 ' A' ' 324' ' ' LEU . 0.1 OUTLIER -95.78 4.46 52.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 65.36 9.19 5.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.283 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 330' ' ' ILE . . . . . 0.608 HG23 ' O ' ' A' ' 328' ' ' LEU . 4.0 pt -103.24 164.5 15.35 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.261 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 331' ' ' PRO . . . . . 0.455 ' HD2' ' HB ' ' A' ' 330' ' ' ILE . 18.3 Cg_endo -74.95 160.35 40.4 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.479 1.778 . . . . 0.0 111.049 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 332' ' ' ALA . . . . . 0.681 ' HB1' ' HB3' ' A' ' 321' ' ' PHE . . . -58.35 -39.34 79.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -59.39 -36.77 76.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 334' ' ' LYS . . . . . 0.527 ' O ' ' CG1' ' A' ' 338' ' ' ILE . 2.1 tptt -74.52 -48.1 29.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 335' ' ' ALA . . . . . 0.453 ' O ' ' CB ' ' A' ' 339' ' ' ALA . . . -63.21 -32.07 73.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 336' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 332' ' ' ALA . 6.5 tt0 -71.69 -47.24 55.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.286 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.78 -45.59 67.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 338' ' ' ILE . . . . . 0.527 ' CG1' ' O ' ' A' ' 334' ' ' LYS . 1.7 mm -61.27 -47.75 92.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 339' ' ' ALA . . . . . 0.453 ' CB ' ' O ' ' A' ' 335' ' ' ALA . . . -57.68 -44.32 85.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.62 -40.67 73.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.975 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.29 -41.01 96.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.32 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 342' ' ' MET . . . . . 0.462 ' HG3' ' CD2' ' A' ' 309' ' ' LEU . 46.7 mmm -63.94 -48.92 74.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 111.004 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 343' ' ' ILE . . . . . . . . . . . . . 45.8 mt -63.54 -39.57 85.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 2.2 m -66.47 -26.99 67.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.388 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -87.73 -8.91 55.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 110.297 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 90.55 -29.31 6.82 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.521 1.138 . . . . 0.0 110.996 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 347' ' ' ARG . . . . . . . . . . . . . 13.4 mtp180 -39.1 -44.2 1.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 0.758 . . . . 0.0 110.27 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 23.1 ttp -110.35 154.33 23.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.979 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -121.08 132.07 54.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.265 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 139.65 -164.8 25.97 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.535 1.147 . . . . 0.0 110.982 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 351' ' ' PHE . . . . . . . . . . . . . 26.7 p90 -146.12 164.04 33.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 0.769 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 22.5 mt -107.06 121.6 60.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 353' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -85.86 109.84 18.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -84.46 -19.87 32.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.287 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 5.7 mm -64.54 -42.22 94.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.342 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -108.01 -14.97 14.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . 70.9 33.52 65.85 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.513 1.133 . . . . 0.0 111.012 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 358' ' ' ILE . . . . . . . . . . . . . 86.1 mt -114.11 149.06 16.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 0.742 . . . . 0.0 109.321 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 359' ' ' VAL . . . . . . . . . . . . . 51.1 t -92.43 119.54 40.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 360' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -85.52 110.94 19.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.573 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 361' ' ' PHE . . . . . 0.571 ' CD1' ' HA ' ' A' ' 313' ' ' SER . 4.7 m-85 -99.84 146.57 26.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.274 -179.949 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 302' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -69.78 -44.06 70.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 304' ' ' VAL . . . . . . . . . . . . . 97.6 t -62.85 -46.37 96.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 305' ' ' ILE . . . . . 0.593 ' HA ' HD22 ' A' ' 328' ' ' LEU . 5.1 mt -65.49 -42.24 92.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.256 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -63.91 -42.71 97.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.31 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 14.5 t60 -71.19 -49.6 42.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.574 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 308' ' ' ASN . . . . . 0.564 ' CB ' HD23 ' A' ' 328' ' ' LEU . 7.1 m-80 -54.82 -34.86 63.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 109.33 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 309' ' ' LEU . . . . . 0.659 HD13 HG22 ' A' ' 338' ' ' ILE . 2.2 mt -67.25 -41.35 85.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 310' ' ' LEU . . . . . 0.475 HD23 ' HA ' ' A' ' 310' ' ' LEU . 16.1 mt -73.97 -40.93 62.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 311' ' ' SER . . . . . 0.428 ' O ' HD12 ' A' ' 315' ' ' LEU . 0.4 OUTLIER -69.52 -40.95 76.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.583 1.177 . . . . 0.0 110.033 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 312' ' ' ALA . . . . . 0.426 ' CB ' ' O ' ' A' ' 308' ' ' ASN . . . -61.12 -31.87 71.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 313' ' ' SER . . . . . . . . . . . . . 30.6 t -61.07 -38.81 87.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.998 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 314' ' ' LYS . . . . . . . . . . . . . 34.2 mtmt -100.16 35.32 2.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.082 . . . . 0.0 109.315 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 315' ' ' LEU . . . . . 0.428 HD12 ' O ' ' A' ' 311' ' ' SER . 8.8 mt -140.96 -49.08 0.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 316' ' ' TYR . . . . . 0.427 ' N ' ' CD1' ' A' ' 316' ' ' TYR . 8.9 m-85 -109.72 151.63 26.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.972 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 317' ' ' ASN . . . . . . . . . . . . . 15.5 m-20 -84.79 -46.46 11.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -149.76 135.79 18.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.137 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 319' ' ' ILE . . . . . . . . . . . . . 19.7 tt -146.3 145.79 19.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.29 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 320' ' ' THR . . . . . 0.583 HG23 ' H ' ' A' ' 323' ' ' GLU . 9.7 t -88.12 164.32 15.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.41 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 321' ' ' PHE . . . . . 0.744 ' CB ' ' HB1' ' A' ' 332' ' ' ALA . 52.1 m-85 -58.23 -38.45 76.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.979 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -60.44 -49.35 77.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.272 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 323' ' ' GLU . . . . . 0.583 ' H ' HG23 ' A' ' 320' ' ' THR . 21.4 mm-40 -72.22 -43.36 64.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 110.32 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 324' ' ' LEU . . . . . 0.531 ' O ' HD12 ' A' ' 328' ' ' LEU . 12.3 tp -57.46 -42.46 82.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.254 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 325' ' ' GLY . . . . . 0.477 ' O ' ' N ' ' A' ' 330' ' ' ILE . . . -74.26 -32.73 57.82 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.507 1.129 . . . . 0.0 111.015 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -66.51 -30.34 70.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 0.756 . . . . 0.0 109.314 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 327' ' ' LEU . . . . . 0.487 ' O ' HD12 ' A' ' 327' ' ' LEU . 0.3 OUTLIER -75.49 -41.47 55.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 328' ' ' LEU . . . . . 0.678 ' O ' HG23 ' A' ' 330' ' ' ILE . 0.1 OUTLIER -87.75 3.82 46.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 63.37 11.99 5.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 110.283 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 330' ' ' ILE . . . . . 0.678 HG23 ' O ' ' A' ' 328' ' ' LEU . 2.0 pt -107.65 165.03 13.51 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 331' ' ' PRO . . . . . 0.44 ' HD2' ' HB ' ' A' ' 330' ' ' ILE . 18.5 Cg_endo -74.93 158.61 42.35 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.514 1.797 . . . . 0.0 111.017 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 332' ' ' ALA . . . . . 0.744 ' HB1' ' CB ' ' A' ' 321' ' ' PHE . . . -58.7 -35.57 72.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -62.27 -37.77 86.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.341 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 334' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.86 -48.2 26.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 335' ' ' ALA . . . . . 0.508 ' O ' ' CB ' ' A' ' 339' ' ' ALA . . . -63.95 -30.7 71.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -70.9 -47.23 60.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.272 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 9.0 tptt -66.44 -45.87 78.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 338' ' ' ILE . . . . . 0.659 HG22 HD13 ' A' ' 309' ' ' LEU . 87.1 mt -64.7 -46.72 91.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 339' ' ' ALA . . . . . 0.508 ' CB ' ' O ' ' A' ' 335' ' ' ALA . . . -56.88 -43.78 81.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.341 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.33 -43.72 66.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.016 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -59.74 -37.87 80.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.278 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 342' ' ' MET . . . . . 0.455 ' HB2' ' HE3' ' A' ' 348' ' ' MET . 2.8 mmm -65.59 -37.64 87.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 111.024 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 343' ' ' ILE . . . . . . . . . . . . . 34.3 mt -68.14 -49.13 70.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 1.2 m -62.35 -30.56 71.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 110.356 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -79.88 -9.4 59.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 110.281 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 89.18 -27.75 7.29 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.518 1.136 . . . . 0.0 110.985 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 347' ' ' ARG . . . . . . . . . . . . . 24.0 mtt85 -38.71 -56.92 1.27 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.508 0.769 . . . . 0.0 110.279 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 348' ' ' MET . . . . . 0.455 ' HE3' ' HB2' ' A' ' 342' ' ' MET . 12.7 ttm -100.39 143.91 30.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 111.006 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 349' ' ' ASN . . . . . 0.429 ' N ' ' HG2' ' A' ' 348' ' ' MET . 1.4 t30 -113.13 131.22 55.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 142.24 -160.43 27.21 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 351' ' ' PHE . . . . . . . . . . . . . 20.3 p90 -146.11 149.21 33.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 0.745 . . . . 0.0 111.031 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 10.1 mt -94.64 117.5 38.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.37 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 353' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -80.4 110.03 15.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -82.69 -18.34 41.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 6.2 mm -67.64 -40.43 84.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -108.92 -15.02 14.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.285 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 357' ' ' GLY . . . . . 0.454 ' O ' ' CE2' ' A' ' 321' ' ' PHE . . . 68.97 33.05 73.91 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.49 1.119 . . . . 0.0 111.011 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 358' ' ' ILE . . . . . . . . . . . . . 94.8 mt -113.65 148.07 16.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 0.77 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 359' ' ' VAL . . . . . . . . . . . . . 58.0 t -92.86 133.18 34.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.337 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 360' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -108.83 110.85 22.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 109.599 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 361' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -95.16 153.83 17.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 110.979 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 110.281 -179.999 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 302' ' ' ARG . . . . . 0.403 ' NH1' ' HE3' ' A' ' 334' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.324 -0.251 . . . . 0.0 110.324 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -65.0 -35.09 80.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 304' ' ' VAL . . . . . . . . . . . . . 41.4 t -65.53 -46.44 89.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 305' ' ' ILE . . . . . 0.746 HG23 HD13 ' A' ' 328' ' ' LEU . 4.8 mt -65.8 -42.99 93.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 306' ' ' GLU . . . . . 0.428 ' O ' ' HE2' ' A' ' 342' ' ' MET . 10.3 mt-10 -57.76 -42.95 85.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.281 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 45.7 t60 -71.04 -42.58 69.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.586 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 308' ' ' ASN . . . . . 0.474 ' HB2' ' CD2' ' A' ' 328' ' ' LEU . 10.5 m120 -54.98 -41.44 71.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.297 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 309' ' ' LEU . . . . . 0.468 ' CD2' ' HA ' ' A' ' 339' ' ' ALA . 1.8 mp -62.96 -37.5 87.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 310' ' ' LEU . . . . . 0.466 HD21 ' O ' ' A' ' 347' ' ' ARG . 34.8 mt -69.61 -38.48 77.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 311' ' ' SER . . . . . 0.519 ' O ' HD12 ' A' ' 315' ' ' LEU . 0.4 OUTLIER -74.13 -44.9 52.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.0 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -62.03 -22.9 66.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 109.268 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 313' ' ' SER . . . . . 0.451 ' HB2' ' CD1' ' A' ' 361' ' ' PHE . 20.3 t -72.18 -44.57 62.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.012 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 314' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.72 -7.79 59.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 315' ' ' LEU . . . . . 0.519 HD12 ' O ' ' A' ' 311' ' ' SER . 2.9 mt -102.13 -84.43 0.45 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.328 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -66.77 146.58 54.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 317' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -85.45 -38.92 18.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -157.45 135.77 11.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 319' ' ' ILE . . . . . 0.479 HG23 HD12 ' A' ' 324' ' ' LEU . 4.5 tt -146.51 146.66 18.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.086 . . . . 0.0 109.3 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 320' ' ' THR . . . . . . . . . . . . . 60.0 p -88.08 162.77 16.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.409 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 321' ' ' PHE . . . . . 0.672 ' HB3' ' HB1' ' A' ' 332' ' ' ALA . 51.2 m-85 -56.6 -39.18 73.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 111.008 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -61.68 -48.88 78.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.302 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -71.41 -45.12 63.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.308 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 324' ' ' LEU . . . . . 0.924 ' CD2' HD11 ' A' ' 328' ' ' LEU . 3.0 tt -57.19 -43.44 82.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 325' ' ' GLY . . . . . 0.468 ' CA ' ' O ' ' A' ' 330' ' ' ILE . . . -69.17 -32.35 72.58 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.536 1.147 . . . . 0.0 110.995 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -71.31 -26.64 62.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 0.772 . . . . 0.0 109.34 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 327' ' ' LEU . . . . . 0.428 ' O ' HD12 ' A' ' 327' ' ' LEU . 0.8 OUTLIER -75.45 -38.64 59.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 109.334 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 328' ' ' LEU . . . . . 0.924 HD11 ' CD2' ' A' ' 324' ' ' LEU . 0.1 OUTLIER -93.49 -0.72 56.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 71.31 4.7 5.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.575 1.172 . . . . 0.0 110.297 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 330' ' ' ILE . . . . . 0.468 ' O ' ' CA ' ' A' ' 325' ' ' GLY . 4.1 pt -99.87 163.45 18.39 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 331' ' ' PRO . . . . . 0.444 ' HD2' ' HB ' ' A' ' 330' ' ' ILE . 18.5 Cg_endo -74.97 159.48 41.41 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.544 1.813 . . . . 0.0 111.041 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 332' ' ' ALA . . . . . 0.672 ' HB1' ' HB3' ' A' ' 321' ' ' PHE . . . -58.78 -34.28 71.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -63.61 -38.25 90.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 334' ' ' LYS . . . . . 0.435 ' CB ' ' HD2' ' A' ' 331' ' ' PRO . 12.7 tptt -74.59 -47.77 30.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 335' ' ' ALA . . . . . 0.403 ' O ' ' CB ' ' A' ' 339' ' ' ALA . . . -64.1 -32.72 74.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -69.04 -45.5 70.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.31 -46.01 74.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 338' ' ' ILE . . . . . 0.425 HD12 ' CD1' ' A' ' 330' ' ' ILE . 90.4 mt -63.51 -47.43 91.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.36 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 339' ' ' ALA . . . . . 0.468 ' HA ' ' CD2' ' A' ' 309' ' ' LEU . . . -56.87 -43.0 80.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.46 -46.73 59.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.941 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.81 -36.78 77.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 110.319 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 342' ' ' MET . . . . . 0.428 ' HE2' ' O ' ' A' ' 306' ' ' GLU . 28.4 mmm -62.76 -49.01 76.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 111.04 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 343' ' ' ILE . . . . . 0.59 HD11 ' HE3' ' A' ' 348' ' ' MET . 69.2 mt -68.15 -32.96 58.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 1.1 m -69.6 -31.61 69.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.395 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -86.79 -9.02 56.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 0.0 110.309 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 89.09 -22.6 21.9 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.507 1.13 . . . . 0.0 111.028 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 347' ' ' ARG . . . . . 0.466 ' O ' HD21 ' A' ' 310' ' ' LEU . 79.3 mtt-85 -42.95 -37.59 1.93 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 0.781 . . . . 0.0 110.309 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 348' ' ' MET . . . . . 0.59 ' HE3' HD11 ' A' ' 343' ' ' ILE . 41.1 ttp -118.83 143.68 46.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.957 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -106.14 132.95 51.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 133.38 -165.72 24.01 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.519 1.137 . . . . 0.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 351' ' ' PHE . . . . . . . . . . . . . 23.9 p90 -146.08 162.61 37.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 0.751 . . . . 0.0 111.026 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 29.7 mt -101.03 117.84 46.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 353' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -80.83 109.8 15.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.128 . . . . 0.0 109.323 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -87.71 -15.73 36.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.308 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 14.3 mt -69.54 -39.31 78.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 356' ' ' ASP . . . . . 0.426 ' HB3' HD12 ' A' ' 358' ' ' ILE . 0.8 OUTLIER -108.67 -14.58 14.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.282 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . 71.2 31.42 66.34 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.495 1.122 . . . . 0.0 111.046 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 358' ' ' ILE . . . . . 0.426 HD12 ' HB3' ' A' ' 356' ' ' ASP . 27.9 mt -115.92 147.89 19.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.476 0.751 . . . . 0.0 109.249 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 359' ' ' VAL . . . . . . . . . . . . . 53.5 t -89.56 125.36 42.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.546 1.154 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 360' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -93.13 110.97 22.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.622 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 361' ' ' PHE . . . . . 0.451 ' CD1' ' HB2' ' A' ' 313' ' ' SER . 9.3 m-85 -97.6 151.97 19.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 111.029 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 362' ' ' GLU . . . . . 0.433 ' OE1' ' HA ' ' A' ' 362' ' ' GLU . 4.1 tp10 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 302' ' ' ARG . . . . . 0.467 ' CZ ' HG12 ' A' ' 338' ' ' ILE . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.31 -0.255 . . . . 0.0 110.31 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -59.0 -33.6 70.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 304' ' ' VAL . . . . . . . . . . . . . 46.1 t -69.79 -45.63 76.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 305' ' ' ILE . . . . . 0.633 ' O ' HD12 ' A' ' 309' ' ' LEU . 1.4 mp -59.51 -40.08 80.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -69.68 -48.4 59.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.283 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -58.94 -49.19 78.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.143 . . . . 0.0 109.607 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 308' ' ' ASN . . . . . 0.493 ' HB3' ' CD2' ' A' ' 328' ' ' LEU . 0.7 OUTLIER -54.91 -40.32 69.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.267 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 309' ' ' LEU . . . . . 0.633 HD12 ' O ' ' A' ' 305' ' ' ILE . 0.4 OUTLIER -62.65 -35.79 80.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 310' ' ' LEU . . . . . . . . . . . . . 49.6 mt -72.17 -38.08 69.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 311' ' ' SER . . . . . 0.42 ' C ' HD12 ' A' ' 315' ' ' LEU . 52.7 m -74.12 -42.83 59.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.983 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -59.8 -22.54 62.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 313' ' ' SER . . . . . 0.468 ' HA ' ' CG ' ' A' ' 361' ' ' PHE . 4.5 p -70.26 -35.17 73.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 110.025 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 314' ' ' LYS . . . . . . . . . . . . . 12.6 mtmm -107.25 35.14 3.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 315' ' ' LEU . . . . . 0.42 HD12 ' C ' ' A' ' 311' ' ' SER . 11.1 mt -137.17 -75.61 0.41 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -80.82 149.84 29.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 111.007 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 317' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -82.27 -43.39 17.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.272 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -155.36 135.9 13.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.338 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 319' ' ' ILE . . . . . 0.404 ' CD1' ' HA ' ' A' ' 324' ' ' LEU . 3.4 tt -146.3 145.58 19.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 320' ' ' THR . . . . . 0.56 HG23 ' H ' ' A' ' 323' ' ' GLU . 12.6 t -88.48 162.42 16.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.365 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 321' ' ' PHE . . . . . 0.701 ' HB3' ' HB1' ' A' ' 332' ' ' ALA . 63.7 m-85 -56.52 -39.27 73.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.975 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -61.53 -47.14 86.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 323' ' ' GLU . . . . . 0.56 ' H ' HG23 ' A' ' 320' ' ' THR . 56.6 mm-40 -71.96 -47.21 53.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.329 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 324' ' ' LEU . . . . . 0.957 ' CD2' HD11 ' A' ' 328' ' ' LEU . 4.5 tt -57.13 -42.79 81.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 325' ' ' GLY . . . . . 0.499 ' O ' ' N ' ' A' ' 330' ' ' ILE . . . -70.94 -32.68 66.1 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.465 1.103 . . . . 0.0 111.004 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -70.66 -26.12 63.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 0.754 . . . . 0.0 109.295 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.82 -39.13 57.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.258 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 328' ' ' LEU . . . . . 0.957 HD11 ' CD2' ' A' ' 324' ' ' LEU . 0.1 OUTLIER -94.84 4.33 53.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 65.61 8.95 5.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.278 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 330' ' ' ILE . . . . . 0.575 HG23 ' O ' ' A' ' 328' ' ' LEU . 4.9 pt -101.17 162.62 19.97 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 331' ' ' PRO . . . . . 0.485 ' HD2' ' CB ' ' A' ' 334' ' ' LYS . 18.3 Cg_endo -75.04 161.38 38.75 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.464 1.771 . . . . 0.0 110.946 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 332' ' ' ALA . . . . . 0.701 ' HB1' ' HB3' ' A' ' 321' ' ' PHE . . . -58.53 -42.39 87.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -57.54 -34.5 69.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 334' ' ' LYS . . . . . 0.485 ' CB ' ' HD2' ' A' ' 331' ' ' PRO . 9.8 tptm -75.25 -48.82 21.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 335' ' ' ALA . . . . . 0.543 ' O ' ' CB ' ' A' ' 339' ' ' ALA . . . -63.48 -34.88 78.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 336' ' ' GLU . . . . . 0.442 ' HB2' ' CD1' ' A' ' 321' ' ' PHE . 3.5 tt0 -71.78 -47.35 54.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 0.0 110.296 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 25.7 tttp -66.5 -46.36 76.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.287 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 338' ' ' ILE . . . . . 0.605 HG22 HD13 ' A' ' 309' ' ' LEU . 61.2 mt -64.61 -46.74 91.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.135 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 339' ' ' ALA . . . . . 0.543 ' CB ' ' O ' ' A' ' 335' ' ' ALA . . . -55.75 -42.54 75.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.48 -40.82 70.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 109.954 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -39.53 93.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.303 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 342' ' ' MET . . . . . . . . . . . . . 9.7 mtp -62.7 -45.97 90.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.979 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 343' ' ' ILE . . . . . . . . . . . . . 40.2 mt -66.94 -37.26 79.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 6.9 m -67.55 -27.0 66.58 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.493 1.12 . . . . 0.0 110.427 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -88.79 -9.42 51.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.095 . . . . 0.0 110.304 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 88.96 -27.56 7.28 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.496 1.123 . . . . 0.0 110.959 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 347' ' ' ARG . . . . . . . . . . . . . 74.4 mtt-85 -38.75 -37.49 0.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 0.762 . . . . 0.0 110.32 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 6.1 ttp -110.42 176.37 5.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.965 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -143.52 130.38 20.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 133.42 -158.13 23.06 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.514 1.134 . . . . 0.0 110.971 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 351' ' ' PHE . . . . . . . . . . . . . 19.3 p90 -146.12 165.1 30.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 0.736 . . . . 0.0 111.026 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 8.6 mt -106.89 115.35 48.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 353' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -76.53 110.29 10.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -89.63 -12.22 40.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 110.292 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 57.9 mt -73.19 -39.54 56.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 109.322 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -110.28 -14.81 14.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . 73.25 29.62 64.04 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.546 1.153 . . . . 0.0 110.953 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 358' ' ' ILE . . . . . . . . . . . . . 49.5 mt -110.9 142.39 23.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.497 0.763 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 359' ' ' VAL . . . . . . . . . . . . . 82.4 t -85.74 123.67 39.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 360' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -90.96 110.76 22.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.598 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 361' ' ' PHE . . . . . 0.468 ' CG ' ' HA ' ' A' ' 313' ' ' SER . 12.3 m-85 -99.44 150.81 21.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 111.038 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.291 -179.969 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 302' ' ' ARG . . . . . . . . . . . . . 2.5 tpp180 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -69.69 -35.77 75.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 304' ' ' VAL . . . . . 0.404 ' O ' ' OD1' ' A' ' 308' ' ' ASN . 10.4 t -72.24 -46.81 56.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 305' ' ' ILE . . . . . . . . . . . . . 7.1 mt -59.61 -40.46 82.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 306' ' ' GLU . . . . . 0.582 ' O ' ' HE1' ' A' ' 342' ' ' MET . 12.1 mt-10 -58.83 -48.8 80.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.35 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 24.7 t60 -71.44 -44.57 64.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.625 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 308' ' ' ASN . . . . . 0.445 ' HB2' ' CD2' ' A' ' 328' ' ' LEU . 19.4 m-20 -54.01 -32.76 55.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.337 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 309' ' ' LEU . . . . . 0.444 ' CD2' ' HA ' ' A' ' 339' ' ' ALA . 1.8 tp -70.06 -49.02 55.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.276 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 310' ' ' LEU . . . . . 0.72 HD11 ' O ' ' A' ' 347' ' ' ARG . 0.2 OUTLIER -64.1 -45.04 90.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 13.0 m -59.46 -41.66 90.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 109.956 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -66.07 -21.94 66.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 109.291 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 313' ' ' SER . . . . . 0.472 ' HA ' ' CG ' ' A' ' 361' ' ' PHE . 1.4 p -68.44 -32.92 73.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.064 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 314' ' ' LYS . . . . . . . . . . . . . 5.9 mttp -108.01 33.59 4.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 7.4 mt -137.74 -66.09 0.51 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.357 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -93.86 117.12 29.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 111.006 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 317' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -50.22 -38.16 38.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -161.86 136.42 6.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 319' ' ' ILE . . . . . 0.543 HG21 HD13 ' A' ' 324' ' ' LEU . 19.8 tt -145.15 142.82 22.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 320' ' ' THR . . . . . 0.912 HG22 HD12 ' A' ' 358' ' ' ILE . 29.2 p -80.99 165.74 21.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 110.418 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 321' ' ' PHE . . . . . 0.743 ' CB ' ' HB1' ' A' ' 332' ' ' ALA . 69.7 m-85 -62.14 -32.27 72.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 111.002 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -64.81 -49.33 71.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.331 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 323' ' ' GLU . . . . . 0.429 ' HB3' HD11 ' A' ' 319' ' ' ILE . 9.2 mm-40 -72.2 -45.64 59.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.284 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 324' ' ' LEU . . . . . 0.543 HD13 HG21 ' A' ' 319' ' ' ILE . 18.2 tp -57.32 -41.77 80.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 325' ' ' GLY . . . . . 0.499 ' O ' ' N ' ' A' ' 330' ' ' ILE . . . -74.52 -32.9 57.1 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.509 1.13 . . . . 0.0 110.978 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -68.89 -27.55 65.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 0.748 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 327' ' ' LEU . . . . . 0.418 ' O ' HD12 ' A' ' 327' ' ' LEU . 0.3 OUTLIER -75.9 -41.45 51.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.259 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 328' ' ' LEU . . . . . 0.567 ' O ' HG23 ' A' ' 330' ' ' ILE . 0.0 OUTLIER -90.45 4.11 51.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 65.47 9.4 5.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.59 1.181 . . . . 0.0 110.314 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 330' ' ' ILE . . . . . 0.567 HG23 ' O ' ' A' ' 328' ' ' LEU . 5.8 pt -101.82 161.85 22.19 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 331' ' ' PRO . . . . . 0.416 ' HD2' ' HB ' ' A' ' 330' ' ' ILE . 18.3 Cg_endo -75.01 158.4 42.17 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.469 1.773 . . . . 0.0 111.045 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 332' ' ' ALA . . . . . 0.743 ' HB1' ' CB ' ' A' ' 321' ' ' PHE . . . -58.76 -36.57 74.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -60.72 -43.11 98.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 334' ' ' LYS . . . . . 0.523 ' O ' ' CG1' ' A' ' 338' ' ' ILE . 0.3 OUTLIER -70.26 -47.66 60.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.337 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 335' ' ' ALA . . . . . . . . . . . . . . . -63.22 -30.87 71.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 336' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 332' ' ' ALA . 11.9 tt0 -71.31 -47.26 57.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.318 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 21.3 mmmt -69.47 -45.4 69.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 338' ' ' ILE . . . . . 0.523 ' CG1' ' O ' ' A' ' 334' ' ' LYS . 1.6 mm -59.23 -47.83 89.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 109.246 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 339' ' ' ALA . . . . . 0.444 ' HA ' ' CD2' ' A' ' 309' ' ' LEU . . . -59.62 -45.53 91.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.83 -43.14 89.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 109.97 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -35.98 80.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.273 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 342' ' ' MET . . . . . 0.582 ' HE1' ' O ' ' A' ' 306' ' ' GLU . 2.8 mtp -64.31 -44.35 91.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 111.05 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 343' ' ' ILE . . . . . . . . . . . . . 23.3 mt -67.41 -47.25 81.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 8.8 m -58.01 -37.81 75.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.382 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -79.67 -7.42 58.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.311 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 83.88 -11.63 56.25 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 347' ' ' ARG . . . . . 0.72 ' O ' HD11 ' A' ' 310' ' ' LEU . 8.7 mmt180 -50.03 -41.85 48.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 0.788 . . . . 0.0 110.299 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 348' ' ' MET . . . . . 0.447 ' HG2' ' N ' ' A' ' 349' ' ' ASN . 8.8 ttm -115.62 141.57 47.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 111.034 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 349' ' ' ASN . . . . . 0.447 ' N ' ' HG2' ' A' ' 348' ' ' MET . 0.7 OUTLIER -102.41 130.37 49.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 134.62 -160.23 24.16 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.115 . . . . 0.0 111.007 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 351' ' ' PHE . . . . . . . . . . . . . 14.3 p90 -146.2 163.15 36.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 0.778 . . . . 0.0 111.02 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 352' ' ' ILE . . . . . 0.412 HD11 ' CB ' ' A' ' 339' ' ' ALA . 10.4 mt -105.0 130.73 55.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 353' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -92.85 110.45 21.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.09 . . . . 0.0 109.317 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -88.97 -17.17 30.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 33.0 mm -70.44 -39.11 75.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -107.24 -11.21 15.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . 68.22 29.75 73.4 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.491 1.119 . . . . 0.0 111.016 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 358' ' ' ILE . . . . . 0.912 HD12 HG22 ' A' ' 320' ' ' THR . 6.7 mm -113.99 149.78 16.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.559 0.799 . . . . 0.0 109.233 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 359' ' ' VAL . . . . . . . . . . . . . 56.5 t -94.75 120.21 43.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 360' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -86.9 111.32 20.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.603 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 361' ' ' PHE . . . . . 0.472 ' CG ' ' HA ' ' A' ' 313' ' ' SER . 8.8 m-85 -103.11 150.81 23.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 111.004 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 110.312 -179.994 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 302' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -62.58 -41.82 99.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 304' ' ' VAL . . . . . . . . . . . . . 40.7 t -62.81 -46.26 96.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 305' ' ' ILE . . . . . 0.569 ' HA ' HD22 ' A' ' 328' ' ' LEU . 23.1 mt -59.78 -40.94 83.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -67.45 -47.32 70.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 110.28 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 15.4 t60 -61.82 -49.7 75.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 109.61 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 308' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -55.1 -37.42 66.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 309' ' ' LEU . . . . . 0.525 HD12 ' O ' ' A' ' 305' ' ' ILE . 0.5 OUTLIER -64.24 -41.17 97.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 310' ' ' LEU . . . . . 0.897 HD21 ' O ' ' A' ' 347' ' ' ARG . 23.4 mt -74.22 -42.06 60.37 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.16 -44.97 82.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 110.02 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -67.18 -23.12 65.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.334 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 313' ' ' SER . . . . . 0.564 ' HA ' ' CD2' ' A' ' 361' ' ' PHE . 2.8 t -74.17 -30.73 62.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.956 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 314' ' ' LYS . . . . . . . . . . . . . 15.4 mttt -93.1 -6.58 47.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 10.5 mt -98.15 -87.92 0.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -65.03 165.45 11.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 317' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -98.32 -44.66 6.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.248 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -144.51 135.34 24.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.254 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 319' ' ' ILE . . . . . 0.91 ' O ' HG22 ' A' ' 359' ' ' VAL . 6.4 tt -146.56 143.33 20.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 320' ' ' THR . . . . . 0.607 HG23 ' H ' ' A' ' 323' ' ' GLU . 5.6 t -85.65 161.97 19.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.343 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 321' ' ' PHE . . . . . 0.755 ' CB ' ' HB1' ' A' ' 332' ' ' ALA . 15.5 m-85 -56.92 -38.87 73.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.59 1.182 . . . . 0.0 111.044 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -60.31 -45.68 92.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.34 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 323' ' ' GLU . . . . . 0.607 ' H ' HG23 ' A' ' 320' ' ' THR . 30.8 mm-40 -71.97 -46.47 57.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.311 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 324' ' ' LEU . . . . . 0.774 HD12 HG21 ' A' ' 359' ' ' VAL . 0.5 OUTLIER -56.97 -44.23 82.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 325' ' ' GLY . . . . . 0.456 ' CA ' ' O ' ' A' ' 330' ' ' ILE . . . -71.72 -31.96 64.56 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.57 1.168 . . . . 0.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -70.49 -25.99 63.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 0.789 . . . . 0.0 109.265 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 1.2 tp -75.4 -42.38 53.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.338 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 328' ' ' LEU . . . . . 0.614 HD11 HD23 ' A' ' 324' ' ' LEU . 0.1 OUTLIER -90.76 -2.84 57.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.343 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 329' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 325' ' ' GLY . 5.3 mt-10 76.28 -0.67 3.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 110.269 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 330' ' ' ILE . . . . . 0.456 ' O ' ' CA ' ' A' ' 325' ' ' GLY . 7.0 pt -90.92 163.18 30.7 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 109.333 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 331' ' ' PRO . . . . . 0.451 ' HD2' ' HB ' ' A' ' 330' ' ' ILE . 18.3 Cg_endo -75.05 157.46 42.56 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.486 1.782 . . . . 0.0 110.98 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 332' ' ' ALA . . . . . 0.755 ' HB1' ' CB ' ' A' ' 321' ' ' PHE . . . -58.53 -32.39 68.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 109.341 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -63.22 -39.2 93.95 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 334' ' ' LYS . . . . . 0.452 ' HB3' HD12 ' A' ' 330' ' ' ILE . 0.0 OUTLIER -75.24 -48.04 25.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 335' ' ' ALA . . . . . 0.511 ' O ' ' CB ' ' A' ' 339' ' ' ALA . . . -63.97 -30.87 71.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 336' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 332' ' ' ALA . 6.2 tt0 -70.45 -46.99 62.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 110.336 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 15.0 mttt -68.26 -45.78 72.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.257 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 338' ' ' ILE . . . . . 0.493 HG22 HD13 ' A' ' 309' ' ' LEU . 83.9 mt -63.7 -47.29 91.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 339' ' ' ALA . . . . . 0.511 ' CB ' ' O ' ' A' ' 335' ' ' ALA . . . -56.63 -43.88 80.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.33 -45.19 63.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.982 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -61.83 -37.88 86.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 110.317 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 342' ' ' MET . . . . . 0.413 ' CG ' ' O ' ' A' ' 338' ' ' ILE . 17.5 mmm -62.81 -44.2 96.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 111.041 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 343' ' ' ILE . . . . . 0.454 ' CG1' ' HB3' ' A' ' 348' ' ' MET . 59.8 mt -66.86 -37.03 78.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 3.9 m -70.55 -27.45 64.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.385 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -84.51 -9.12 58.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.238 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 90.86 -30.74 5.98 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 347' ' ' ARG . . . . . 0.897 ' O ' HD21 ' A' ' 310' ' ' LEU . 5.8 mtt85 -38.78 -44.75 1.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 0.747 . . . . 0.0 110.26 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 348' ' ' MET . . . . . 0.454 ' HB3' ' CG1' ' A' ' 343' ' ' ILE . 0.8 OUTLIER -103.54 176.08 5.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 111.009 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -143.5 128.41 18.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 136.55 -160.21 24.71 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.445 1.09 . . . . 0.0 111.009 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 351' ' ' PHE . . . . . . . . . . . . . 13.1 p90 -145.98 153.18 40.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 0.763 . . . . 0.0 110.984 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 352' ' ' ILE . . . . . 0.727 HG12 HG12 ' A' ' 359' ' ' VAL . 37.1 mt -95.99 121.12 46.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 353' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 357' ' ' GLY . 55.5 t0 -88.03 113.37 23.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -81.64 -14.15 57.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.33 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 62.0 mt -70.1 -42.66 79.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.26 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -110.39 -14.95 14.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 357' ' ' GLY . . . . . 0.58 ' O ' ' CE2' ' A' ' 321' ' ' PHE . . . 68.13 33.88 79.73 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.502 1.126 . . . . 0.0 111.042 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 358' ' ' ILE . . . . . 0.505 HG23 ' C ' ' A' ' 319' ' ' ILE . 52.6 mt -118.04 143.9 27.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 359' ' ' VAL . . . . . 0.91 HG22 ' O ' ' A' ' 319' ' ' ILE . 18.8 m -82.83 140.24 16.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 360' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -109.49 110.86 22.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.601 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 361' ' ' PHE . . . . . 0.564 ' CD2' ' HA ' ' A' ' 313' ' ' SER . 11.7 m-85 -96.91 151.64 19.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.98 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.293 179.968 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 302' ' ' ARG . . . . . 0.408 ' NH1' HG12 ' A' ' 338' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.305 -0.258 . . . . 0.0 110.305 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -60.15 -33.83 72.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 109.263 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 304' ' ' VAL . . . . . . . . . . . . . 41.5 t -71.0 -46.42 67.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.341 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 305' ' ' ILE . . . . . 0.594 HG23 HD13 ' A' ' 328' ' ' LEU . 4.7 mt -61.98 -44.69 99.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 306' ' ' GLU . . . . . 0.418 ' HA ' ' SD ' ' A' ' 342' ' ' MET . 8.5 mt-10 -59.67 -47.82 84.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.288 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 36.7 t60 -69.29 -43.25 74.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.558 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 308' ' ' ASN . . . . . 0.478 ' HB3' ' CD2' ' A' ' 328' ' ' LEU . 1.1 m120 -54.56 -38.75 67.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 309' ' ' LEU . . . . . 0.838 HD21 HD21 ' A' ' 324' ' ' LEU . 0.7 OUTLIER -64.06 -50.17 69.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 310' ' ' LEU . . . . . 0.533 HD11 ' O ' ' A' ' 347' ' ' ARG . 0.2 OUTLIER -60.96 -45.3 95.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 311' ' ' SER . . . . . 0.478 ' HA ' ' CE ' ' A' ' 314' ' ' LYS . 0.1 OUTLIER -60.22 -39.31 86.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.007 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -68.45 -21.64 64.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 313' ' ' SER . . . . . 0.409 ' HA ' ' CG ' ' A' ' 361' ' ' PHE . 2.7 t -59.56 -44.87 93.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 109.975 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 314' ' ' LYS . . . . . 0.478 ' CE ' ' HA ' ' A' ' 311' ' ' SER . 0.0 OUTLIER -89.59 -34.55 16.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.267 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 315' ' ' LEU . . . . . 0.413 ' N ' ' HG2' ' A' ' 314' ' ' LYS . 4.1 mt -69.62 -78.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -79.2 121.48 25.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 317' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -62.75 -40.51 97.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -158.71 135.72 9.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 319' ' ' ILE . . . . . 0.427 ' CG1' ' HB2' ' A' ' 323' ' ' GLU . 16.7 tt -146.47 146.87 18.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 320' ' ' THR . . . . . 0.597 HG23 ' H ' ' A' ' 323' ' ' GLU . 8.9 t -87.36 166.04 15.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 110.403 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 321' ' ' PHE . . . . . 0.714 ' CB ' ' HB1' ' A' ' 332' ' ' ALA . 39.4 m-85 -58.28 -38.24 76.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 111.02 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -62.33 -49.21 76.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.295 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 323' ' ' GLU . . . . . 0.597 ' H ' HG23 ' A' ' 320' ' ' THR . 10.9 mm-40 -71.29 -46.01 61.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.101 . . . . 0.0 110.307 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 324' ' ' LEU . . . . . 0.838 HD21 HD21 ' A' ' 309' ' ' LEU . 38.0 tp -57.4 -42.18 81.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 109.26 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 325' ' ' GLY . . . . . 0.493 ' CA ' ' O ' ' A' ' 330' ' ' ILE . . . -67.72 -32.4 78.02 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -71.98 -26.32 62.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 0.769 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 327' ' ' LEU . . . . . 0.564 HD23 HD12 ' A' ' 324' ' ' LEU . 0.7 OUTLIER -75.95 -38.22 57.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.264 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 328' ' ' LEU . . . . . 0.599 ' O ' HG23 ' A' ' 330' ' ' ILE . 0.1 OUTLIER -95.45 3.47 54.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 65.23 9.67 5.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.253 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 330' ' ' ILE . . . . . 0.599 HG23 ' O ' ' A' ' 328' ' ' LEU . 3.3 pt -104.35 164.3 15.54 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 331' ' ' PRO . . . . . 0.476 ' HD2' ' CB ' ' A' ' 334' ' ' LYS . 18.3 Cg_endo -75.04 160.62 39.81 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.519 1.8 . . . . 0.0 110.983 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 332' ' ' ALA . . . . . 0.714 ' HB1' ' CB ' ' A' ' 321' ' ' PHE . . . -58.28 -41.03 83.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.26 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -58.47 -35.21 71.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 334' ' ' LYS . . . . . 0.492 ' CG ' HD12 ' A' ' 330' ' ' ILE . 2.6 tptt -75.37 -48.42 23.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 335' ' ' ALA . . . . . 0.508 ' O ' ' CB ' ' A' ' 339' ' ' ALA . . . -63.66 -30.51 71.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.102 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 336' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 332' ' ' ALA . 8.9 tt0 -71.07 -47.25 59.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 110.276 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 11.9 mtmt -67.27 -45.77 75.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 338' ' ' ILE . . . . . 0.51 HD12 ' CD1' ' A' ' 330' ' ' ILE . 72.8 mt -64.12 -47.03 91.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 339' ' ' ALA . . . . . 0.508 ' CB ' ' O ' ' A' ' 335' ' ' ALA . . . -56.81 -45.33 82.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.58 -43.86 71.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 110.008 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -60.02 -36.45 77.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.3 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 342' ' ' MET . . . . . 0.475 ' HE2' HD21 ' A' ' 310' ' ' LEU . 9.3 mtp -63.07 -49.04 76.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 111.002 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 343' ' ' ILE . . . . . 0.531 HG13 ' HE2' ' A' ' 348' ' ' MET . 75.0 mt -68.15 -36.53 75.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 11.9 m -65.99 -34.31 77.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.38 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -80.47 -3.82 51.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.313 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 75.25 2.12 66.18 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.497 1.123 . . . . 0.0 110.977 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 347' ' ' ARG . . . . . 0.533 ' O ' HD11 ' A' ' 310' ' ' LEU . 60.5 mtt180 -69.94 -27.45 64.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 0.755 . . . . 0.0 110.366 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 348' ' ' MET . . . . . 0.531 ' HE2' HG13 ' A' ' 343' ' ' ILE . 35.4 ttp -122.38 164.66 17.6 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 111.023 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -126.51 132.31 51.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.086 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 136.67 -169.53 23.79 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.462 1.101 . . . . 0.0 110.984 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 351' ' ' PHE . . . . . . . . . . . . . 33.6 p90 -143.99 155.46 44.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 0.754 . . . . 0.0 110.987 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 18.6 mt -98.76 120.92 48.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 353' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -83.27 109.91 17.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.143 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -84.73 -18.33 35.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 18.9 mt -67.65 -40.07 83.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -109.33 -14.98 14.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 357' ' ' GLY . . . . . 0.405 ' O ' ' CE2' ' A' ' 321' ' ' PHE . . . 71.01 26.87 73.13 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.525 1.141 . . . . 0.0 111.019 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 358' ' ' ILE . . . . . . . . . . . . . 76.4 mt -107.68 144.37 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 0.772 . . . . 0.0 109.298 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 359' ' ' VAL . . . . . . . . . . . . . 48.4 t -89.67 118.04 34.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 360' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -87.43 110.91 20.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.537 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 361' ' ' PHE . . . . . 0.439 ' HZ ' HD23 ' A' ' 309' ' ' LEU . 8.3 m-85 -97.96 148.94 22.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 111.047 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 110.316 -179.973 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 302' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -63.13 -32.88 74.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 304' ' ' VAL . . . . . . . . . . . . . 51.8 t -71.05 -46.46 66.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 305' ' ' ILE . . . . . . . . . . . . . 7.3 mt -61.54 -43.27 96.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -57.83 -49.19 77.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.308 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 28.6 t60 -67.8 -45.96 73.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.643 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 308' ' ' ASN . . . . . 0.474 ' HB2' ' CD2' ' A' ' 328' ' ' LEU . 4.8 m120 -55.3 -39.06 69.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 309' ' ' LEU . . . . . 0.592 HD22 HG22 ' A' ' 338' ' ' ILE . 1.1 tp -62.88 -39.42 94.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 310' ' ' LEU . . . . . 0.433 HD21 ' O ' ' A' ' 347' ' ' ARG . 23.5 mt -73.88 -39.77 63.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 311' ' ' SER . . . . . 0.751 ' O ' HD12 ' A' ' 315' ' ' LEU . 39.6 m -68.02 -44.87 75.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.989 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -64.84 -22.38 66.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 313' ' ' SER . . . . . 0.495 ' HA ' ' CG ' ' A' ' 361' ' ' PHE . 2.6 p -72.94 -41.04 64.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.023 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 314' ' ' LYS . . . . . . . . . . . . . 22.5 mttt -83.47 -12.23 56.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 315' ' ' LEU . . . . . 0.751 HD12 ' O ' ' A' ' 311' ' ' SER . 1.5 mt -97.27 -84.09 0.38 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -69.1 128.36 36.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 110.975 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 317' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -68.77 -39.15 80.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -151.43 135.43 16.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 319' ' ' ILE . . . . . 0.509 HG21 HD13 ' A' ' 324' ' ' LEU . 20.0 tt -146.72 147.3 17.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 320' ' ' THR . . . . . . . . . . . . . 24.4 p -88.86 161.69 16.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.386 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 321' ' ' PHE . . . . . 0.698 ' HB3' ' HB1' ' A' ' 332' ' ' ALA . 33.5 m-85 -55.79 -38.58 70.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 111.033 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -61.77 -49.23 77.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.347 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -71.6 -44.11 65.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.303 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 324' ' ' LEU . . . . . 0.515 ' O ' ' CD1' ' A' ' 328' ' ' LEU . 15.8 tp -57.31 -42.75 82.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 325' ' ' GLY . . . . . 0.486 ' O ' ' N ' ' A' ' 330' ' ' ILE . . . -74.69 -33.0 56.62 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.52 1.138 . . . . 0.0 110.975 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -67.9 -28.57 67.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 0.782 . . . . 0.0 109.328 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.76 -41.97 51.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 328' ' ' LEU . . . . . 0.594 ' O ' HG23 ' A' ' 330' ' ' ILE . 0.1 OUTLIER -88.81 3.65 50.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 65.41 9.29 5.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 330' ' ' ILE . . . . . 0.594 HG23 ' O ' ' A' ' 328' ' ' LEU . 3.8 pt -102.89 163.11 18.21 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 331' ' ' PRO . . . . . 0.429 ' HD2' ' HB ' ' A' ' 330' ' ' ILE . 18.6 Cg_endo -74.98 156.83 43.09 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.464 1.77 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 332' ' ' ALA . . . . . 0.698 ' HB1' ' HB3' ' A' ' 321' ' ' PHE . . . -58.47 -33.23 69.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -63.63 -39.13 93.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 334' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -75.16 -47.82 26.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 335' ' ' ALA . . . . . 0.497 ' O ' ' CB ' ' A' ' 339' ' ' ALA . . . -64.24 -30.71 71.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 336' ' ' GLU . . . . . 0.422 ' CB ' ' O ' ' A' ' 332' ' ' ALA . 7.5 tt0 -70.88 -47.0 61.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 9.3 tppt? -66.66 -45.77 77.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.353 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 338' ' ' ILE . . . . . 0.592 HG22 HD22 ' A' ' 309' ' ' LEU . 90.1 mt -64.64 -47.33 89.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 339' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 335' ' ' ALA . . . -56.81 -42.89 80.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 109.268 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -71.21 -47.51 56.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 110.0 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -59.66 -38.6 81.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 110.287 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 342' ' ' MET . . . . . 0.406 ' HG3' ' CD2' ' A' ' 309' ' ' LEU . 29.0 mmm -62.84 -42.29 99.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 110.993 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 343' ' ' ILE . . . . . 0.495 HG13 ' HE1' ' A' ' 348' ' ' MET . 35.5 mt -67.73 -37.44 78.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 1.4 m -72.17 -27.01 62.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.42 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -83.24 -8.94 59.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.288 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 89.94 -30.02 6.09 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.48 1.112 . . . . 0.0 110.983 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 347' ' ' ARG . . . . . 0.433 ' O ' HD21 ' A' ' 310' ' ' LEU . 16.2 mtt85 -39.27 -52.66 1.98 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 0.782 . . . . 0.0 110.264 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 348' ' ' MET . . . . . 0.495 ' HE1' HG13 ' A' ' 343' ' ' ILE . 1.8 ttp -85.48 174.54 9.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.971 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -145.32 114.38 6.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.579 1.175 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 142.22 -155.03 25.39 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.532 1.145 . . . . 0.0 111.041 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 351' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -146.16 162.85 37.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 0.767 . . . . 0.0 110.996 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 12.0 mt -104.14 114.08 42.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.351 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 353' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 357' ' ' GLY . 64.7 t0 -76.59 110.08 10.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -83.18 -19.11 37.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 110.298 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 13.2 mt -66.86 -41.7 88.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -110.16 -14.48 14.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 357' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 353' ' ' ASP . . . 69.42 33.86 73.27 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.467 1.104 . . . . 0.0 110.977 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 358' ' ' ILE . . . . . . . . . . . . . 12.3 mt -111.54 147.3 15.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.456 0.739 . . . . 0.0 109.312 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 359' ' ' VAL . . . . . . . . . . . . . 62.0 t -88.38 119.55 35.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.312 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 360' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -91.99 110.77 22.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.618 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 361' ' ' PHE . . . . . 0.495 ' CG ' ' HA ' ' A' ' 313' ' ' SER . 12.9 m-85 -97.99 146.05 25.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 362' ' ' GLU . . . . . 0.423 ' OE1' ' HA ' ' A' ' 362' ' ' GLU . 4.6 tp10 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 110.288 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 302' ' ' ARG . . . . . . . . . . . . . 4.0 ttt-85 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.31 -0.255 . . . . 0.0 110.31 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -68.79 -33.35 73.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 304' ' ' VAL . . . . . . . . . . . . . 17.5 t -69.27 -46.18 77.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 305' ' ' ILE . . . . . 0.738 HG23 HD13 ' A' ' 328' ' ' LEU . 13.6 mt -59.82 -39.94 81.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 306' ' ' GLU . . . . . 0.434 ' OE1' ' CD ' ' A' ' 347' ' ' ARG . 2.1 mt-10 -63.49 -45.99 88.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 12.7 t60 -67.91 -45.78 73.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.127 . . . . 0.0 109.585 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 308' ' ' ASN . . . . . 0.5 ' HB3' ' CD2' ' A' ' 328' ' ' LEU . 0.6 OUTLIER -56.18 -43.86 78.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 309' ' ' LEU . . . . . 0.595 HD22 ' SD ' ' A' ' 342' ' ' MET . 0.5 OUTLIER -62.21 -35.59 79.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 310' ' ' LEU . . . . . . . . . . . . . 84.8 mt -73.15 -42.08 63.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.52 1.138 . . . . 0.0 109.338 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.17 -45.15 70.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 110.016 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -62.5 -21.98 65.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 313' ' ' SER . . . . . 0.517 ' HA ' ' CD2' ' A' ' 361' ' ' PHE . 1.4 p -68.59 -43.7 75.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.013 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 314' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.83 -18.94 55.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.34 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 2.0 mt -89.57 -84.78 0.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.258 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -71.61 156.79 39.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 317' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -96.68 -44.06 7.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -144.34 135.47 25.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 319' ' ' ILE . . . . . 0.879 ' O ' HG22 ' A' ' 359' ' ' VAL . 4.9 tt -146.57 144.11 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 320' ' ' THR . . . . . 0.697 HG23 ' H ' ' A' ' 323' ' ' GLU . 6.5 t -85.69 159.68 19.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.41 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 321' ' ' PHE . . . . . 0.869 ' CB ' ' HB1' ' A' ' 332' ' ' ALA . 16.6 m-85 -55.43 -35.82 65.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 111.031 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -64.33 -48.89 73.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.282 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 323' ' ' GLU . . . . . 0.697 ' H ' HG23 ' A' ' 320' ' ' THR . 19.7 mm-40 -69.92 -48.31 59.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.327 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 324' ' ' LEU . . . . . 0.984 ' CD2' HD11 ' A' ' 328' ' ' LEU . 4.8 tt -57.44 -42.27 82.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 325' ' ' GLY . . . . . 0.463 ' O ' ' N ' ' A' ' 330' ' ' ILE . . . -69.8 -32.23 70.33 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.549 1.155 . . . . 0.0 111.0 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -70.99 -26.59 63.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 0.789 . . . . 0.0 109.304 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 327' ' ' LEU . . . . . 0.431 ' O ' HD12 ' A' ' 327' ' ' LEU . 0.4 OUTLIER -75.36 -39.45 59.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.312 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 328' ' ' LEU . . . . . 0.984 HD11 ' CD2' ' A' ' 324' ' ' LEU . 0.2 OUTLIER -93.26 3.24 55.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 65.33 9.75 5.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.34 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 330' ' ' ILE . . . . . 0.594 HG23 ' O ' ' A' ' 328' ' ' LEU . 3.6 pt -103.3 164.6 15.15 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 331' ' ' PRO . . . . . 0.464 ' HD2' ' CB ' ' A' ' 334' ' ' LYS . 18.3 Cg_endo -74.97 158.94 42.02 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.53 1.805 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 332' ' ' ALA . . . . . 0.869 ' HB1' ' CB ' ' A' ' 321' ' ' PHE . . . -58.85 -32.52 69.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -65.65 -36.88 84.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 334' ' ' LYS . . . . . 0.464 ' CB ' ' HD2' ' A' ' 331' ' ' PRO . 0.0 OUTLIER -75.11 -48.34 24.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 335' ' ' ALA . . . . . 0.623 ' HB1' HD22 ' A' ' 324' ' ' LEU . . . -65.77 -34.01 77.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.232 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 336' ' ' GLU . . . . . 0.483 ' CB ' ' O ' ' A' ' 332' ' ' ALA . 5.2 tt0 -71.58 -47.82 52.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 110.334 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.87 -46.11 83.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 109.226 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 338' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 334' ' ' LYS . 55.6 mt -65.06 -47.67 86.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 109.309 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 339' ' ' ALA . . . . . 0.511 ' CB ' ' O ' ' A' ' 335' ' ' ALA . . . -56.22 -44.74 79.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -69.52 -44.99 69.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.981 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -59.74 -36.36 76.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.279 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 342' ' ' MET . . . . . 0.595 ' SD ' HD22 ' A' ' 309' ' ' LEU . 82.9 mtp -65.48 -49.42 69.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 111.035 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 343' ' ' ILE . . . . . . . . . . . . . 31.7 mt -60.17 -39.33 80.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 4.6 m -67.67 -29.06 68.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.391 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -83.09 -9.15 59.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 90.15 -30.47 5.9 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.541 1.151 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 347' ' ' ARG . . . . . 0.434 ' CD ' ' OE1' ' A' ' 306' ' ' GLU . 48.3 mtt-85 -38.7 -48.63 1.5 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 0.787 . . . . 0.0 110.297 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 13.6 ttp -103.02 155.65 18.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 110.988 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -122.76 131.63 53.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.348 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 135.91 -162.12 24.93 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.507 1.13 . . . . 0.0 110.954 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 351' ' ' PHE . . . . . . . . . . . . . 11.0 p90 -146.15 150.06 35.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 0.799 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 352' ' ' ILE . . . . . 0.771 HG12 HG12 ' A' ' 359' ' ' VAL . 5.2 mt -94.32 111.41 25.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.335 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 353' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 357' ' ' GLY . 58.4 t0 -72.01 114.1 9.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -83.86 -17.86 39.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 110.289 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 37.9 mt -69.53 -40.33 79.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -110.52 -15.05 13.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.325 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 357' ' ' GLY . . . . . 0.566 ' O ' ' CE2' ' A' ' 321' ' ' PHE . . . 66.0 34.18 87.68 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.533 1.146 . . . . 0.0 110.968 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 358' ' ' ILE . . . . . 0.449 HG23 ' C ' ' A' ' 319' ' ' ILE . 89.7 mt -116.93 141.79 33.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 0.771 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 359' ' ' VAL . . . . . 0.898 HG21 HD12 ' A' ' 324' ' ' LEU . 29.2 m -83.14 140.18 16.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 360' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -113.18 110.6 20.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.597 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 361' ' ' PHE . . . . . 0.517 ' CD2' ' HA ' ' A' ' 313' ' ' SER . 15.2 m-85 -93.26 147.13 23.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 111.01 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.29 -179.98 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 302' ' ' ARG . . . . . 0.435 ' NH1' ' HB2' ' A' ' 302' ' ' ARG . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -58.7 -34.88 71.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 304' ' ' VAL . . . . . 0.506 HG12 HD21 ' A' ' 308' ' ' ASN . 75.6 t -68.03 -45.98 82.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 305' ' ' ILE . . . . . 0.618 HG21 HD13 ' A' ' 338' ' ' ILE . 1.2 mp -59.76 -38.3 75.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 306' ' ' GLU . . . . . 0.434 ' OE1' ' NH1' ' A' ' 347' ' ' ARG . 22.8 mt-10 -63.27 -50.81 68.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.326 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 52.0 t60 -63.15 -43.57 97.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.609 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 308' ' ' ASN . . . . . 0.506 HD21 HG12 ' A' ' 304' ' ' VAL . 59.5 m-20 -54.61 -39.48 67.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 309' ' ' LEU . . . . . 0.462 ' CD2' ' HA ' ' A' ' 339' ' ' ALA . 1.3 mp -63.82 -50.18 69.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 310' ' ' LEU . . . . . 0.642 HD21 ' CE ' ' A' ' 342' ' ' MET . 0.2 OUTLIER -63.75 -45.09 91.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.1 -36.9 80.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.999 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -70.44 -28.78 65.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 313' ' ' SER . . . . . . . . . . . . . 4.9 p -63.25 -39.23 94.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 110.024 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 314' ' ' LYS . . . . . . . . . . . . . 40.9 mtmt -80.54 -27.82 37.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 109.278 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 1.6 mt -81.17 -86.29 0.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -73.17 154.57 40.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 317' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -92.28 -41.56 10.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -147.4 135.9 21.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.435 1.085 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 319' ' ' ILE . . . . . 0.519 HG23 HD12 ' A' ' 324' ' ' LEU . 4.6 tt -146.44 146.67 18.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 320' ' ' THR . . . . . 0.552 HG22 HG12 ' A' ' 358' ' ' ILE . 82.2 p -86.19 160.16 19.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 110.395 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 321' ' ' PHE . . . . . 0.739 ' CB ' ' HB1' ' A' ' 332' ' ' ALA . 42.0 m-85 -55.85 -39.09 70.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -62.69 -49.22 75.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.298 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -69.45 -46.91 65.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 110.297 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 324' ' ' LEU . . . . . 1.019 ' CD2' HD11 ' A' ' 328' ' ' LEU . 4.2 tt -57.22 -43.65 83.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.288 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 325' ' ' GLY . . . . . 0.491 ' CA ' ' O ' ' A' ' 330' ' ' ILE . . . -67.82 -32.51 77.88 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.503 1.127 . . . . 0.0 111.016 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -72.38 -25.77 61.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 0.767 . . . . 0.0 109.269 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 327' ' ' LEU . . . . . 0.426 ' O ' HD12 ' A' ' 327' ' ' LEU . 0.4 OUTLIER -75.28 -37.9 60.68 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.467 1.105 . . . . 0.0 109.288 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 328' ' ' LEU . . . . . 1.019 HD11 ' CD2' ' A' ' 324' ' ' LEU . 0.1 OUTLIER -95.1 -3.58 47.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.102 . . . . 0.0 109.297 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 75.65 1.16 3.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.298 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 330' ' ' ILE . . . . . 0.491 ' O ' ' CA ' ' A' ' 325' ' ' GLY . 5.5 pt -96.31 163.0 21.72 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 331' ' ' PRO . . . . . 0.465 ' HD2' ' CB ' ' A' ' 334' ' ' LYS . 18.4 Cg_endo -74.92 160.63 40.15 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.48 1.779 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 332' ' ' ALA . . . . . 0.739 ' HB1' ' CB ' ' A' ' 321' ' ' PHE . . . -58.98 -36.39 74.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.273 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -62.32 -36.99 83.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.443 1.089 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 334' ' ' LYS . . . . . 0.465 ' CB ' ' HD2' ' A' ' 331' ' ' PRO . 0.0 OUTLIER -75.17 -47.92 26.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 335' ' ' ALA . . . . . 0.508 ' HB1' HD22 ' A' ' 324' ' ' LEU . . . -64.62 -31.25 72.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 336' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 332' ' ' ALA . 6.6 tt0 -71.13 -47.11 59.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 14.1 mmtt -65.6 -46.07 80.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 338' ' ' ILE . . . . . 0.618 HD13 HG21 ' A' ' 305' ' ' ILE . 90.4 mt -63.86 -47.51 90.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 339' ' ' ALA . . . . . 0.462 ' HA ' ' CD2' ' A' ' 309' ' ' LEU . . . -56.58 -44.71 81.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.54 -42.55 67.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.007 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -59.81 -40.26 87.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.122 . . . . 0.0 110.285 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 342' ' ' MET . . . . . 0.642 ' CE ' HD21 ' A' ' 310' ' ' LEU . 44.1 mmm -62.89 -49.06 76.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 343' ' ' ILE . . . . . 0.581 HD11 ' HE3' ' A' ' 348' ' ' MET . 79.4 mt -68.01 -42.53 85.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 2.3 m -59.59 -29.61 68.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.401 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -90.99 -9.14 47.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.269 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 346' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 347' ' ' ARG . . . 90.18 -26.22 10.61 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.496 1.122 . . . . 0.0 111.006 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 347' ' ' ARG . . . . . 0.434 ' NH1' ' OE1' ' A' ' 306' ' ' GLU . 27.1 mtt180 -38.84 -34.76 0.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 0.742 . . . . 0.0 110.273 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 348' ' ' MET . . . . . 0.581 ' HE3' HD11 ' A' ' 343' ' ' ILE . 43.6 ttp -123.28 145.94 48.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -106.4 132.5 52.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.263 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 137.75 -174.46 21.83 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.51 1.131 . . . . 0.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 351' ' ' PHE . . . . . 0.43 ' CD1' ' C ' ' A' ' 351' ' ' PHE . 11.7 p90 -142.34 152.04 42.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 0.773 . . . . 0.0 110.979 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 352' ' ' ILE . . . . . 0.427 ' O ' ' NE2' ' A' ' 354' ' ' GLN . 35.8 mt -94.31 122.39 45.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 353' ' ' ASP . . . . . . . . . . . . . 54.5 t0 -84.2 110.06 18.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 109.322 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 354' ' ' GLN . . . . . 0.427 ' NE2' ' O ' ' A' ' 352' ' ' ILE . 0.9 OUTLIER -84.0 -19.44 34.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 110.269 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 9.9 mm -65.91 -40.92 88.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 109.333 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -108.68 -15.01 14.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . 69.29 33.99 74.2 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.496 1.123 . . . . 0.0 111.026 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 358' ' ' ILE . . . . . 0.552 HG12 HG22 ' A' ' 320' ' ' THR . 41.7 mt -118.35 148.05 21.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 0.746 . . . . 0.0 109.29 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 359' ' ' VAL . . . . . . . . . . . . . 40.9 t -87.88 140.0 16.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 360' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -112.35 111.06 21.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.544 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 361' ' ' PHE . . . . . 0.625 ' HZ ' HD11 ' A' ' 324' ' ' LEU . 12.8 m-85 -99.45 146.27 26.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 -179.974 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 302' ' ' ARG . . . . . 0.495 ' HA ' HD12 ' A' ' 305' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -63.99 -41.46 97.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 304' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -59.36 -42.07 86.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 305' ' ' ILE . . . . . 0.552 ' HA ' HD22 ' A' ' 328' ' ' LEU . 12.3 mt -65.56 -41.94 91.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 306' ' ' GLU . . . . . 0.422 ' OE2' ' CD ' ' A' ' 347' ' ' ARG . 38.1 mt-10 -69.74 -40.58 76.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 110.312 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -65.86 -47.12 75.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.105 . . . . 0.0 109.565 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 308' ' ' ASN . . . . . 0.796 ' OD1' HD11 ' A' ' 327' ' ' LEU . 1.4 m-20 -58.91 -40.99 86.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 309' ' ' LEU . . . . . 0.791 HD21 HD21 ' A' ' 324' ' ' LEU . 0.5 OUTLIER -62.67 -47.54 83.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.107 . . . . 0.0 109.287 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 310' ' ' LEU . . . . . 0.632 HD21 ' O ' ' A' ' 347' ' ' ARG . 31.6 mt -67.81 -37.37 81.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 311' ' ' SER . . . . . 0.503 ' O ' HD12 ' A' ' 315' ' ' LEU . 0.5 OUTLIER -66.91 -40.39 87.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.959 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -71.58 -21.71 61.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 313' ' ' SER . . . . . 0.516 ' HA ' ' CG ' ' A' ' 361' ' ' PHE . 4.0 p -63.78 -35.92 82.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 110.013 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 314' ' ' LYS . . . . . 0.417 ' HG2' ' N ' ' A' ' 315' ' ' LEU . 0.0 OUTLIER -96.72 -33.4 11.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.242 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 315' ' ' LEU . . . . . 0.503 HD12 ' O ' ' A' ' 311' ' ' SER . 2.2 mt -73.26 -70.86 0.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -80.97 145.26 31.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 110.998 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 317' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -89.79 -30.02 18.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.564 1.165 . . . . 0.0 109.344 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -159.17 135.94 9.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 319' ' ' ILE . . . . . 0.88 ' O ' HG22 ' A' ' 359' ' ' VAL . 16.4 tt -146.29 147.17 18.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 320' ' ' THR . . . . . 0.555 HG23 ' H ' ' A' ' 323' ' ' GLU . 10.3 t -91.96 170.31 9.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.382 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 321' ' ' PHE . . . . . 0.494 ' HB3' ' HB1' ' A' ' 332' ' ' ALA . 25.1 m-85 -62.94 -32.14 73.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -68.18 -49.36 61.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 110.302 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 323' ' ' GLU . . . . . 0.555 ' H ' HG23 ' A' ' 320' ' ' THR . 67.8 mt-10 -72.26 -42.33 65.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 110.268 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 324' ' ' LEU . . . . . 0.836 HD22 HG21 ' A' ' 359' ' ' VAL . 12.9 tp -57.36 -42.84 82.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 325' ' ' GLY . . . . . 0.496 ' O ' ' N ' ' A' ' 330' ' ' ILE . . . -74.48 -33.16 56.74 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.535 1.147 . . . . 0.0 110.997 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -67.89 -28.52 67.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 0.743 . . . . 0.0 109.313 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 327' ' ' LEU . . . . . 0.796 HD11 ' OD1' ' A' ' 308' ' ' ASN . 0.8 OUTLIER -75.98 -42.03 49.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 328' ' ' LEU . . . . . 0.561 HD23 ' CB ' ' A' ' 308' ' ' ASN . 0.1 OUTLIER -90.27 3.8 52.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 329' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 325' ' ' GLY . 11.6 mt-10 65.83 7.95 4.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.305 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 330' ' ' ILE . . . . . 0.542 HG23 ' O ' ' A' ' 328' ' ' LEU . 4.6 pt -98.89 164.67 16.43 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 331' ' ' PRO . . . . . 0.469 ' HD2' ' HB ' ' A' ' 330' ' ' ILE . 18.4 Cg_endo -74.95 162.66 36.86 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.505 1.792 . . . . 0.0 111.048 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 332' ' ' ALA . . . . . 0.494 ' HB1' ' HB3' ' A' ' 321' ' ' PHE . . . -58.47 -44.41 89.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.58 1.175 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -55.46 -36.39 66.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 334' ' ' LYS . . . . . 0.523 ' HB3' HD12 ' A' ' 330' ' ' ILE . 0.8 OUTLIER -75.11 -47.58 27.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 335' ' ' ALA . . . . . 0.521 ' O ' ' HB2' ' A' ' 339' ' ' ALA . . . -63.33 -30.78 71.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 336' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 332' ' ' ALA . 7.3 tt0 -71.25 -48.4 51.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 110.314 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -70.53 -45.67 65.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 109.33 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 338' ' ' ILE . . . . . 0.515 ' CG1' ' O ' ' A' ' 334' ' ' LYS . 2.1 mm -60.95 -44.88 98.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.35 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 339' ' ' ALA . . . . . 0.521 ' HB2' ' O ' ' A' ' 335' ' ' ALA . . . -57.23 -45.17 84.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.84 -42.13 74.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 109.984 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.85 -36.53 77.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.255 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 342' ' ' MET . . . . . 0.552 ' HE2' ' HB3' ' A' ' 347' ' ' ARG . 4.7 mtp -66.37 -42.57 87.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 111.001 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 343' ' ' ILE . . . . . . . . . . . . . 53.9 mt -67.58 -45.71 84.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 109.267 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 1.9 m -60.17 -33.1 71.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.386 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -79.88 -8.3 59.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.326 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 86.07 -15.62 47.71 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 347' ' ' ARG . . . . . 0.632 ' O ' HD21 ' A' ' 310' ' ' LEU . 62.8 mtt-85 -48.88 -52.63 23.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 0.751 . . . . 0.0 110.31 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 348' ' ' MET . . . . . 0.447 ' HG2' ' N ' ' A' ' 349' ' ' ASN . 11.1 ttm -103.61 144.2 31.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.993 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 349' ' ' ASN . . . . . 0.447 ' N ' ' HG2' ' A' ' 348' ' ' MET . 0.8 OUTLIER -110.04 130.29 55.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 109.297 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 139.63 -157.49 25.21 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.495 1.122 . . . . 0.0 111.025 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 351' ' ' PHE . . . . . . . . . . . . . 19.7 p90 -146.12 154.22 41.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 0.778 . . . . 0.0 110.995 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 352' ' ' ILE . . . . . 0.786 HG12 HG12 ' A' ' 359' ' ' VAL . 9.8 mt -94.22 121.85 45.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 353' ' ' ASP . . . . . 0.436 ' O ' ' CA ' ' A' ' 357' ' ' GLY . 58.8 t0 -82.07 110.02 16.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -85.08 -18.53 34.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 56.7 mt -68.82 -40.49 81.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -110.93 -14.87 13.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 357' ' ' GLY . . . . . 0.436 ' CA ' ' O ' ' A' ' 353' ' ' ASP . . . 70.56 34.02 67.52 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.539 1.149 . . . . 0.0 111.0 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 358' ' ' ILE . . . . . . . . . . . . . 97.0 mt -117.32 142.35 31.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.481 0.753 . . . . 0.0 109.304 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 359' ' ' VAL . . . . . 0.88 HG22 ' O ' ' A' ' 319' ' ' ILE . 29.4 m -86.16 136.17 23.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 360' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -104.55 117.62 34.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.598 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 361' ' ' PHE . . . . . 0.702 ' CE2' HG22 ' A' ' 319' ' ' ILE . 22.9 m-85 -95.01 154.64 17.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 111.03 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.275 -179.995 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 302' ' ' ARG . . . . . 0.656 ' HA ' HD12 ' A' ' 305' ' ' ILE . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -64.68 -34.21 77.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 304' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -59.38 -42.21 86.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.577 1.173 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 305' ' ' ILE . . . . . 0.742 HG23 HD13 ' A' ' 328' ' ' LEU . 6.0 mt -65.47 -39.26 84.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -64.02 -42.08 97.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.293 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -70.85 -48.6 53.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.562 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 308' ' ' ASN . . . . . 0.478 ' HB3' ' CD2' ' A' ' 328' ' ' LEU . 1.4 m-80 -56.55 -39.17 72.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 309' ' ' LEU . . . . . 0.65 HD12 HG22 ' A' ' 305' ' ' ILE . 0.6 OUTLIER -62.83 -37.18 85.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 310' ' ' LEU . . . . . 0.507 HD21 ' O ' ' A' ' 347' ' ' ARG . 27.7 mt -74.08 -36.47 64.29 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 311' ' ' SER . . . . . 0.877 ' O ' HD12 ' A' ' 315' ' ' LEU . 0.5 OUTLIER -71.81 -44.8 63.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.008 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -60.82 -29.72 69.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 313' ' ' SER . . . . . 0.568 ' HA ' ' CD1' ' A' ' 361' ' ' PHE . 12.4 t -61.86 -44.84 96.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 0.0 110.044 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 314' ' ' LYS . . . . . . . . . . . . . 9.6 mtmm -101.44 35.13 2.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.157 . . . . 0.0 109.336 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 315' ' ' LEU . . . . . 0.877 HD12 ' O ' ' A' ' 311' ' ' SER . 4.9 mt -142.29 -67.09 0.39 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -86.24 120.26 27.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 317' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -56.72 -40.45 75.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -161.54 136.0 7.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.337 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 319' ' ' ILE . . . . . 0.411 ' CD1' ' HA ' ' A' ' 324' ' ' LEU . 5.3 tt -145.96 141.54 21.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 320' ' ' THR . . . . . . . . . . . . . 66.8 p -84.07 167.43 16.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 110.393 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 321' ' ' PHE . . . . . 0.795 ' CB ' ' HB1' ' A' ' 332' ' ' ALA . 51.6 m-85 -61.66 -32.25 72.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.132 . . . . 0.0 111.018 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -66.44 -49.53 66.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -71.86 -45.9 59.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.337 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 324' ' ' LEU . . . . . 0.967 ' CD2' HD11 ' A' ' 328' ' ' LEU . 4.5 tt -57.14 -42.82 81.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 325' ' ' GLY . . . . . 0.489 ' O ' ' N ' ' A' ' 330' ' ' ILE . . . -71.38 -32.61 64.88 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.514 1.134 . . . . 0.0 111.018 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -69.45 -26.94 64.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 0.775 . . . . 0.0 109.323 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 327' ' ' LEU . . . . . 0.459 ' O ' HD12 ' A' ' 327' ' ' LEU . 0.6 OUTLIER -75.7 -39.91 56.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 328' ' ' LEU . . . . . 0.967 HD11 ' CD2' ' A' ' 324' ' ' LEU . 0.1 OUTLIER -92.31 4.13 53.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 65.41 9.69 5.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.276 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 330' ' ' ILE . . . . . 0.585 HG23 ' O ' ' A' ' 328' ' ' LEU . 3.7 pt -103.71 162.43 20.0 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 331' ' ' PRO . . . . . 0.452 ' HD2' ' CB ' ' A' ' 334' ' ' LYS . 18.1 Cg_endo -75.05 160.27 40.19 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.488 1.783 . . . . 0.0 110.957 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 332' ' ' ALA . . . . . 0.795 ' HB1' ' CB ' ' A' ' 321' ' ' PHE . . . -58.32 -40.93 83.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.327 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -58.44 -35.21 71.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 334' ' ' LYS . . . . . 0.452 ' CB ' ' HD2' ' A' ' 331' ' ' PRO . 9.6 tptt -75.21 -48.17 24.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 335' ' ' ALA . . . . . 0.509 ' O ' ' CB ' ' A' ' 339' ' ' ALA . . . -63.84 -30.67 71.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 336' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 332' ' ' ALA . 11.4 tt0 -70.77 -47.28 60.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.327 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 7.7 mttt -65.13 -45.48 84.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.275 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 338' ' ' ILE . . . . . 0.508 HG22 ' CD1' ' A' ' 309' ' ' LEU . 66.7 mt -66.34 -45.83 88.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 339' ' ' ALA . . . . . 0.509 ' CB ' ' O ' ' A' ' 335' ' ' ALA . . . -56.89 -45.69 82.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.82 -39.87 69.52 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 110.021 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -63.83 -39.51 94.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.153 . . . . 0.0 110.36 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 342' ' ' MET . . . . . 0.403 ' HG3' HD13 ' A' ' 309' ' ' LEU . 34.1 mmm -62.74 -45.57 92.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 343' ' ' ILE . . . . . 0.535 HG13 ' HE2' ' A' ' 348' ' ' MET . 42.9 mt -68.13 -39.13 80.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 3.8 m -68.03 -26.99 66.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 110.419 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -87.5 -9.22 55.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 110.351 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 89.81 -29.29 6.44 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.451 1.094 . . . . 0.0 110.993 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 347' ' ' ARG . . . . . 0.507 ' O ' HD21 ' A' ' 310' ' ' LEU . 69.6 mtt-85 -39.26 -36.08 0.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 0.754 . . . . 0.0 110.258 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 348' ' ' MET . . . . . 0.535 ' HE2' HG13 ' A' ' 343' ' ' ILE . 23.1 ttp -117.5 160.56 21.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -125.66 132.12 52.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 134.08 -164.15 24.5 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.493 1.12 . . . . 0.0 110.993 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 351' ' ' PHE . . . . . . . . . . . . . 19.7 p90 -144.35 160.29 41.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 0.755 . . . . 0.0 110.981 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 352' ' ' ILE . . . . . 0.44 HD11 ' CB ' ' A' ' 339' ' ' ALA . 11.5 mt -104.08 125.56 58.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.11 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 353' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -86.25 109.88 19.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -88.82 -15.14 35.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 10.5 mt -68.92 -40.31 80.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.421 1.075 . . . . 0.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -107.85 -14.5 14.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . 74.03 30.88 60.51 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 358' ' ' ILE . . . . . . . . . . . . . 80.1 mt -113.15 149.1 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 0.751 . . . . 0.0 109.281 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 359' ' ' VAL . . . . . . . . . . . . . 44.3 t -92.6 116.11 33.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 360' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -83.86 111.38 19.16 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.487 1.117 . . . . 0.0 109.595 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 361' ' ' PHE . . . . . 0.568 ' CD1' ' HA ' ' A' ' 313' ' ' SER . 4.4 m-85 -99.81 152.32 20.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 110.298 179.978 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 302' ' ' ARG . . . . . 0.607 ' HA ' HD12 ' A' ' 305' ' ' ILE . 2.4 tpt180 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.341 -0.244 . . . . 0.0 110.341 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -69.83 -37.49 76.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 304' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -59.37 -42.48 87.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 305' ' ' ILE . . . . . 0.607 HD12 ' HA ' ' A' ' 302' ' ' ARG . 5.4 mt -64.81 -41.47 92.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.367 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -66.31 -42.26 88.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 110.316 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -71.13 -46.23 62.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.642 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 308' ' ' ASN . . . . . 0.473 ' HB3' ' CD2' ' A' ' 328' ' ' LEU . 7.1 m-80 -56.37 -32.92 65.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 309' ' ' LEU . . . . . 0.716 HD13 HG22 ' A' ' 338' ' ' ILE . 1.9 mt -69.09 -34.24 74.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 310' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 310' ' ' LEU . 14.1 mt -74.26 -42.1 60.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 311' ' ' SER . . . . . 0.51 ' C ' HD12 ' A' ' 315' ' ' LEU . 0.6 OUTLIER -73.83 -44.42 55.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.044 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 312' ' ' ALA . . . . . 0.424 ' CB ' ' O ' ' A' ' 308' ' ' ASN . . . -59.99 -22.84 63.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 313' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 362' ' ' GLU . 0.9 OUTLIER -69.66 -45.08 69.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 110.034 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 314' ' ' LYS . . . . . . . . . . . . . 7.4 mtmp? -101.13 35.56 2.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 315' ' ' LEU . . . . . 0.51 HD12 ' C ' ' A' ' 311' ' ' SER . 7.4 mt -133.5 -70.23 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -84.13 135.22 34.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 111.006 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 317' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -61.24 -45.02 96.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -163.3 135.99 5.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 319' ' ' ILE . . . . . . . . . . . . . 16.6 tt -146.17 143.98 20.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 320' ' ' THR . . . . . 0.521 HG23 ' H ' ' A' ' 323' ' ' GLU . 10.9 t -83.62 166.98 17.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.433 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 321' ' ' PHE . . . . . 0.776 ' CB ' ' HB1' ' A' ' 332' ' ' ALA . 39.3 m-85 -60.05 -39.13 84.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.992 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -59.67 -50.08 75.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 110.296 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 323' ' ' GLU . . . . . 0.521 ' H ' HG23 ' A' ' 320' ' ' THR . 27.5 mm-40 -72.99 -47.56 44.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 110.289 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 324' ' ' LEU . . . . . 0.708 HD13 HD11 ' A' ' 328' ' ' LEU . 1.1 tm? -56.94 -44.41 82.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.332 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 325' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 330' ' ' ILE . . . -69.84 -32.92 70.3 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -66.95 -29.29 69.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 0.77 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.27 -39.36 59.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 328' ' ' LEU . . . . . 0.708 HD11 HD13 ' A' ' 324' ' ' LEU . 0.2 OUTLIER -87.81 3.16 49.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 65.48 12.13 7.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 330' ' ' ILE . . . . . 0.624 HG23 ' O ' ' A' ' 328' ' ' LEU . 2.9 pt -109.75 162.27 20.95 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 331' ' ' PRO . . . . . 0.455 ' HD2' ' CB ' ' A' ' 334' ' ' LYS . 18.5 Cg_endo -74.95 160.74 39.92 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.487 1.783 . . . . 0.0 111.021 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 332' ' ' ALA . . . . . 0.776 ' HB1' ' CB ' ' A' ' 321' ' ' PHE . . . -59.27 -35.86 74.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -62.73 -37.84 88.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 334' ' ' LYS . . . . . 0.455 ' CB ' ' HD2' ' A' ' 331' ' ' PRO . 0.1 OUTLIER -74.18 -47.78 33.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 335' ' ' ALA . . . . . 0.504 ' O ' ' CB ' ' A' ' 339' ' ' ALA . . . -64.36 -31.12 72.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 336' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 332' ' ' ALA . 11.0 tt0 -69.68 -47.27 63.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.309 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 29.4 mmtt -66.56 -45.68 78.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 109.351 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 338' ' ' ILE . . . . . 0.716 HG22 HD13 ' A' ' 309' ' ' LEU . 67.8 mt -65.16 -46.38 91.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 339' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 335' ' ' ALA . . . -56.82 -44.78 82.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.18 -43.26 67.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.009 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.99 -40.82 90.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 110.307 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 342' ' ' MET . . . . . . . . . . . . . 1.9 mmm -62.9 -48.24 79.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.973 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 343' ' ' ILE . . . . . 0.426 HG13 ' CE ' ' A' ' 348' ' ' MET . 34.7 mt -64.56 -39.71 86.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 2.9 m -70.24 -27.42 64.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.391 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -83.79 -8.94 59.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.264 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 89.8 -29.53 6.3 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.532 1.145 . . . . 0.0 110.999 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 347' ' ' ARG . . . . . . . . . . . . . 72.1 mtt-85 -39.08 -50.95 1.87 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 0.751 . . . . 0.0 110.343 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 348' ' ' MET . . . . . 0.426 ' CE ' HG13 ' A' ' 343' ' ' ILE . 9.6 ttp -98.61 172.51 7.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.537 1.148 . . . . 0.0 110.964 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -137.91 131.87 31.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 133.87 -162.84 24.51 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.511 1.132 . . . . 0.0 110.996 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 351' ' ' PHE . . . . . . . . . . . . . 12.0 p90 -145.28 159.46 42.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 0.771 . . . . 0.0 111.029 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 12.5 mt -102.86 133.47 46.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 353' ' ' ASP . . . . . 0.427 ' HB2' ' CD2' ' A' ' 360' ' ' HIS . 66.1 t0 -95.91 109.76 22.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -85.62 -17.65 35.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.314 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 25.8 mt -66.58 -42.96 90.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -106.03 -11.76 16.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 109.354 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 357' ' ' GLY . . . . . 0.428 ' O ' ' CE2' ' A' ' 321' ' ' PHE . . . 69.09 34.0 75.26 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.513 1.133 . . . . 0.0 110.973 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 358' ' ' ILE . . . . . . . . . . . . . 61.1 mt -116.24 146.05 21.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.484 0.755 . . . . 0.0 109.318 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 359' ' ' VAL . . . . . 0.638 ' CG2' ' CE1' ' A' ' 321' ' ' PHE . 48.7 t -94.15 114.22 30.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 360' ' ' HIS . . . . . 0.427 ' CD2' ' HB2' ' A' ' 353' ' ' ASP . 25.6 m-70 -84.41 110.83 18.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.622 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 361' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -100.51 146.93 26.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 110.987 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 362' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 313' ' ' SER . 4.3 pt-20 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.326 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 290' ' ' SER . . . . . . . . . . . . . 23.2 t -74.76 94.26 2.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 0.748 . . . . 0.0 109.98 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 291' ' ' SER . . . . . . . . . . . . . 2.6 m -103.38 152.1 21.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.989 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 292' ' ' GLY . . . . . . . . . . . . . . . -46.27 -79.74 0.06 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.453 1.096 . . . . 0.0 111.018 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 293' ' ' SER . . . . . . . . . . . . . 12.2 m 60.37 84.44 0.12 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 0.796 . . . . 0.0 109.986 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 294' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.59 104.5 14.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.054 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . -82.03 -89.07 0.65 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.516 1.135 . . . . 0.0 111.004 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 296' ' ' GLY . . . . . . . . . . . . . . . -116.67 128.03 7.73 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 297' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.88 -53.49 0.08 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.487 0.757 . . . . 0.0 109.991 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 298' ' ' SER . . . . . . . . . . . . . 84.8 p -126.56 132.81 51.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.097 . . . . 0.0 110.003 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 299' ' ' ILE . . . . . 0.458 HG22 ' O ' ' A' ' 299' ' ' ILE . 1.6 mt -103.77 28.65 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.247 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 300' ' ' LEU . . . . . 0.699 HD21 HD11 ' A' ' 305' ' ' ILE . 0.2 OUTLIER -45.52 169.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 301' ' ' ASP . . . . . 0.553 ' N ' HD12 ' A' ' 300' ' ' LEU . 1.1 t70 -58.76 107.49 0.53 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 302' ' ' ARG . . . . . 0.583 ' HA ' HD12 ' A' ' 305' ' ' ILE . 0.0 OUTLIER -72.11 -27.2 62.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.296 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -65.69 -36.46 83.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.247 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 304' ' ' VAL . . . . . 0.476 ' CG2' ' HB3' ' A' ' 301' ' ' ASP . 70.4 t -63.12 -46.23 96.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 305' ' ' ILE . . . . . 0.699 HD11 HD21 ' A' ' 300' ' ' LEU . 5.3 mt -60.18 -44.65 95.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -57.79 -48.41 79.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.361 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 25.8 t60 -69.66 -45.4 68.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.614 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 308' ' ' ASN . . . . . 0.507 ' CB ' ' CD2' ' A' ' 328' ' ' LEU . 6.9 m-20 -54.94 -39.01 68.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 309' ' ' LEU . . . . . 0.493 HD21 ' HA ' ' A' ' 339' ' ' ALA . 1.3 tp -62.83 -40.02 96.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.419 1.075 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 310' ' ' LEU . . . . . 0.56 HD21 ' O ' ' A' ' 347' ' ' ARG . 18.9 mt -74.15 -37.7 63.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 311' ' ' SER . . . . . 0.434 ' C ' HD12 ' A' ' 315' ' ' LEU . 0.3 OUTLIER -65.05 -45.1 86.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.995 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -66.26 -35.54 80.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 313' ' ' SER . . . . . 0.405 ' HA ' ' CG ' ' A' ' 361' ' ' PHE . 25.8 p -62.67 -25.25 68.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.568 1.168 . . . . 0.0 110.046 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 314' ' ' LYS . . . . . . . . . . . . . 35.6 mtmt -100.17 -13.11 19.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 315' ' ' LEU . . . . . 0.434 HD12 ' C ' ' A' ' 311' ' ' SER . 7.4 mt -101.56 -82.19 0.47 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -70.25 118.25 12.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.973 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 317' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.1 -41.4 78.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.35 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -152.92 135.85 15.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.272 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 319' ' ' ILE . . . . . 0.587 HG21 HD13 ' A' ' 324' ' ' LEU . 20.2 tt -146.23 147.06 18.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.275 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 320' ' ' THR . . . . . 0.784 HG22 HG12 ' A' ' 358' ' ' ILE . 70.6 p -85.12 163.26 18.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 110.424 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 321' ' ' PHE . . . . . 0.675 ' CB ' ' HB1' ' A' ' 332' ' ' ALA . 48.1 m-85 -58.93 -36.36 74.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -62.42 -49.21 76.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 110.306 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 323' ' ' GLU . . . . . 0.417 ' HB3' HD11 ' A' ' 319' ' ' ILE . 12.8 mm-40 -72.23 -44.73 62.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.163 . . . . 0.0 110.327 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 324' ' ' LEU . . . . . 0.587 HD13 HG21 ' A' ' 319' ' ' ILE . 21.3 tp -57.3 -41.96 80.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 325' ' ' GLY . . . . . 0.468 ' O ' ' N ' ' A' ' 330' ' ' ILE . . . -69.82 -32.3 70.28 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -70.11 -28.19 65.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 0.754 . . . . 0.0 109.266 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 327' ' ' LEU . . . . . 0.47 ' O ' HD12 ' A' ' 327' ' ' LEU . 0.4 OUTLIER -75.57 -39.9 57.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 328' ' ' LEU . . . . . 0.617 ' O ' HG23 ' A' ' 330' ' ' ILE . 0.1 OUTLIER -92.1 2.54 56.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.079 . . . . 0.0 109.329 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 64.99 10.1 5.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.328 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 330' ' ' ILE . . . . . 0.617 HG23 ' O ' ' A' ' 328' ' ' LEU . 2.9 pt -104.19 164.22 15.74 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 331' ' ' PRO . . . . . 0.444 ' HD2' ' HB ' ' A' ' 330' ' ' ILE . 18.4 Cg_endo -74.98 157.89 42.59 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.511 1.795 . . . . 0.0 111.034 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 332' ' ' ALA . . . . . 0.675 ' HB1' ' CB ' ' A' ' 321' ' ' PHE . . . -58.72 -32.8 69.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -63.24 -42.99 99.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 334' ' ' LYS . . . . . 0.49 ' O ' ' CG1' ' A' ' 338' ' ' ILE . 8.3 tttt -72.03 -47.4 52.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 335' ' ' ALA . . . . . . . . . . . . . . . -63.83 -31.01 72.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 336' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 332' ' ' ALA . 9.0 tt0 -71.05 -47.43 58.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.286 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 3.5 mmtp -69.35 -45.27 69.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 338' ' ' ILE . . . . . 0.49 ' CG1' ' O ' ' A' ' 334' ' ' LYS . 2.0 mm -60.46 -47.68 91.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 109.285 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 339' ' ' ALA . . . . . 0.493 ' HA ' HD21 ' A' ' 309' ' ' LEU . . . -58.06 -45.17 87.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.35 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.74 -42.28 82.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.009 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -63.11 -37.6 87.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.297 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 342' ' ' MET . . . . . 0.483 ' HG3' HD23 ' A' ' 309' ' ' LEU . 37.5 mmm -63.49 -41.63 98.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.996 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 343' ' ' ILE . . . . . . . . . . . . . 29.7 mt -65.19 -42.61 94.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 2.9 m -67.78 -32.64 73.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 110.394 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -79.89 -6.05 56.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 110.297 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 81.92 -7.6 62.45 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.536 1.148 . . . . 0.0 111.007 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 347' ' ' ARG . . . . . 0.56 ' O ' HD21 ' A' ' 310' ' ' LEU . 10.3 mtp180 -56.26 -45.17 80.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 0.776 . . . . 0.0 110.316 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 348' ' ' MET . . . . . 0.433 ' HG2' ' N ' ' A' ' 349' ' ' ASN . 13.3 ttm -112.55 142.59 44.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 111.038 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 349' ' ' ASN . . . . . 0.433 ' N ' ' HG2' ' A' ' 348' ' ' MET . 0.7 OUTLIER -106.29 131.03 54.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 134.72 -156.66 22.59 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 351' ' ' PHE . . . . . . . . . . . . . 36.4 p90 -146.03 164.98 30.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 0.754 . . . . 0.0 111.009 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 13.2 mt -104.18 127.85 58.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 0.0 109.345 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 353' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -89.88 109.99 20.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -88.24 -14.36 38.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.312 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 10.0 mt -70.31 -42.36 78.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.329 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -107.39 -13.12 15.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 357' ' ' GLY . . . . . 0.417 ' O ' ' CE2' ' A' ' 321' ' ' PHE . . . 71.3 30.23 67.4 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.527 1.142 . . . . 0.0 110.963 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 358' ' ' ILE . . . . . 0.784 HG12 HG22 ' A' ' 320' ' ' THR . 48.3 mt -112.89 146.57 17.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.55 0.794 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 359' ' ' VAL . . . . . . . . . . . . . 50.0 t -90.5 119.72 38.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 360' ' ' HIS . . . . . . . . . . . . . 22.0 m80 -87.43 110.85 20.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.593 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 361' ' ' PHE . . . . . 0.405 ' CG ' ' HA ' ' A' ' 313' ' ' SER . 12.3 m-85 -101.44 152.25 20.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.959 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -81.13 142.37 33.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 110.3 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 363' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -110.29 143.54 40.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.413 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 364' ' ' ARG . . . . . . . . . . . . . 68.0 mtt180 -54.1 136.01 42.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.296 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 365' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 60.15 77.21 0.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 110.299 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 366' ' ' ALA . . . . . . . . . . . . . . . -151.77 151.83 31.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -142.12 -59.64 0.46 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.008 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 368' ' ' GLY . . . . . . . . . . . . . . . 144.25 -144.09 12.98 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.524 1.14 . . . . 0.0 110.976 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 369' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 163.68 34.82 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.465 1.771 . . . . 0.0 111.008 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.54 111.17 3.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.976 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 371' ' ' SER . . . . . . . . . . . . . 3.3 t -72.88 142.69 47.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.168 . . . . 0.0 110.015 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 372' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.499 1.125 . . . . 0.0 111.012 179.958 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 290' ' ' SER . . . . . . . . . . . . . 69.3 m -152.16 -58.15 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 0.737 . . . . 0.0 110.021 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 291' ' ' SER . . . . . . . . . . . . . 78.0 p -130.93 158.56 39.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.017 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 292' ' ' GLY . . . . . . . . . . . . . . . -151.6 64.36 0.38 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.477 1.111 . . . . 0.0 111.036 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 293' ' ' SER . . . . . . . . . . . . . 13.2 m 56.59 165.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 0.781 . . . . 0.0 109.986 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 294' ' ' SER . . . . . . . . . . . . . 3.4 m -160.21 149.38 17.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.98 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 139.21 -171.82 23.49 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.481 1.113 . . . . 0.0 110.97 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 296' ' ' GLY . . . . . . . . . . . . . . . -91.26 62.84 2.79 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 297' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -174.42 -57.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 0.758 . . . . 0.0 109.991 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 298' ' ' SER . . . . . . . . . . . . . 3.0 m -94.28 81.29 4.01 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.465 1.103 . . . . 0.0 109.968 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 299' ' ' ILE . . . . . . . . . . . . . 1.1 mt -119.43 108.74 24.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 300' ' ' LEU . . . . . 0.403 ' N ' ' CD2' ' A' ' 300' ' ' LEU . 0.6 OUTLIER -57.77 96.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.0 109.264 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 301' ' ' ASP . . . . . 0.531 ' HB3' HG23 ' A' ' 304' ' ' VAL . 10.2 m-20 -88.02 108.37 19.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.334 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 302' ' ' ARG . . . . . 0.47 ' HD2' ' CD1' ' A' ' 338' ' ' ILE . 0.0 OUTLIER -67.07 -36.86 82.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 110.315 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -67.85 -36.31 80.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 304' ' ' VAL . . . . . 0.531 HG23 ' HB3' ' A' ' 301' ' ' ASP . 70.1 t -69.39 -46.37 76.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 305' ' ' ILE . . . . . 0.524 HG22 HG21 ' A' ' 338' ' ' ILE . 10.3 mt -60.45 -38.85 79.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -57.65 -48.62 78.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.318 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 21.2 t60 -70.87 -42.98 69.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.551 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 308' ' ' ASN . . . . . 0.488 ' CB ' HD23 ' A' ' 328' ' ' LEU . 9.0 m-20 -57.96 -38.99 77.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 309' ' ' LEU . . . . . 0.471 ' CD2' ' HA ' ' A' ' 339' ' ' ALA . 1.3 mp -62.76 -39.34 93.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 310' ' ' LEU . . . . . . . . . . . . . 23.5 mt -72.3 -41.47 66.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 311' ' ' SER . . . . . 0.572 ' O ' HD12 ' A' ' 315' ' ' LEU . 16.5 m -63.49 -45.06 92.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.975 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -69.37 -39.49 78.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 313' ' ' SER . . . . . 0.458 ' HA ' ' CG ' ' A' ' 361' ' ' PHE . 17.1 t -61.14 -26.56 67.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.985 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 314' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -94.91 -17.67 21.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 315' ' ' LEU . . . . . 0.572 HD12 ' O ' ' A' ' 311' ' ' SER . 6.5 mt -93.34 -87.85 0.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -59.15 153.85 17.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 110.978 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 317' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -85.79 -44.33 12.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.274 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -154.25 136.77 15.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 319' ' ' ILE . . . . . . . . . . . . . 18.1 tt -146.26 142.0 21.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 320' ' ' THR . . . . . 0.436 HG22 HG12 ' A' ' 358' ' ' ILE . 1.6 p -79.12 162.74 25.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.409 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 321' ' ' PHE . . . . . 0.743 ' HB3' ' HB1' ' A' ' 332' ' ' ALA . 71.7 m-85 -56.47 -39.01 72.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 111.003 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -61.16 -49.18 78.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.566 1.166 . . . . 0.0 110.308 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -72.01 -44.08 64.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.317 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 324' ' ' LEU . . . . . 0.567 ' O ' HD12 ' A' ' 328' ' ' LEU . 23.9 tp -57.32 -42.47 81.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 325' ' ' GLY . . . . . 0.469 ' O ' ' N ' ' A' ' 330' ' ' ILE . . . -74.1 -32.74 58.13 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.483 1.115 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -66.93 -29.1 68.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 0.773 . . . . 0.0 109.333 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 327' ' ' LEU . . . . . 0.487 ' O ' HD12 ' A' ' 327' ' ' LEU . 0.3 OUTLIER -75.72 -41.94 52.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.157 . . . . 0.0 109.261 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 328' ' ' LEU . . . . . 0.625 ' O ' HG23 ' A' ' 330' ' ' ILE . 0.1 OUTLIER -87.59 3.68 46.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.153 . . . . 0.0 109.293 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 64.9 10.02 5.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.288 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 330' ' ' ILE . . . . . 0.625 HG23 ' O ' ' A' ' 328' ' ' LEU . 2.6 pt -105.46 162.72 18.88 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 331' ' ' PRO . . . . . 0.478 ' HD2' ' CB ' ' A' ' 334' ' ' LYS . 18.3 Cg_endo -75.03 159.66 40.99 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.492 1.785 . . . . 0.0 110.999 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 332' ' ' ALA . . . . . 0.743 ' HB1' ' HB3' ' A' ' 321' ' ' PHE . . . -58.32 -36.94 74.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -61.83 -35.93 79.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 334' ' ' LYS . . . . . 0.478 ' CB ' ' HD2' ' A' ' 331' ' ' PRO . 0.0 OUTLIER -75.19 -47.97 25.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 335' ' ' ALA . . . . . 0.5 ' O ' ' CB ' ' A' ' 339' ' ' ALA . . . -64.33 -30.76 71.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -71.12 -47.11 59.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.341 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 28.5 tptt -66.3 -45.88 78.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 338' ' ' ILE . . . . . 0.524 HG21 HG22 ' A' ' 305' ' ' ILE . 90.1 mt -64.65 -47.3 89.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 339' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 335' ' ' ALA . . . -56.31 -43.79 79.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.78 -44.87 65.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 110.001 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.9 -35.64 75.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.328 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 342' ' ' MET . . . . . . . . . . . . . 9.2 mtp -62.61 -50.04 72.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 343' ' ' ILE . . . . . . . . . . . . . 35.7 mt -67.82 -37.49 78.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 1.8 m -62.19 -40.0 94.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.407 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -81.21 -7.26 59.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 110.337 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 84.85 -11.87 58.7 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.544 1.153 . . . . 0.0 110.958 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 347' ' ' ARG . . . . . . . . . . . . . 14.7 mtt-85 -48.19 -48.8 34.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 0.753 . . . . 0.0 110.276 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 39.7 ttp -106.25 152.43 23.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 111.014 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -110.1 133.5 53.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 130.73 -165.84 22.72 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.528 1.142 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 351' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -146.19 158.15 43.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 0.741 . . . . 0.0 110.979 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 28.1 mt -97.83 126.4 50.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 353' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -89.53 109.91 20.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -84.72 -20.39 31.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.446 1.091 . . . . 0.0 110.299 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 34.6 mt -66.85 -40.77 86.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.27 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -106.57 -14.74 14.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . 68.35 33.37 77.4 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.462 1.101 . . . . 0.0 111.016 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 358' ' ' ILE . . . . . 0.436 HG12 HG22 ' A' ' 320' ' ' THR . 58.9 mt -116.85 144.38 24.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.547 0.792 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 359' ' ' VAL . . . . . . . . . . . . . 69.0 t -90.09 122.48 41.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.33 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 360' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -93.86 111.02 22.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.572 1.17 . . . . 0.0 109.558 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 361' ' ' PHE . . . . . 0.458 ' CG ' ' HA ' ' A' ' 313' ' ' SER . 12.2 m-85 -99.66 156.46 17.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -80.38 145.67 31.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 0.0 110.319 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 363' ' ' THR . . . . . . . . . . . . . 1.5 t -111.91 147.0 36.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.37 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 364' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -45.49 128.75 8.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 365' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 55.27 95.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.304 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 366' ' ' ALA . . . . . . . . . . . . . . . -159.26 153.36 23.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 41.84 84.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.993 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 368' ' ' GLY . . . . . . . . . . . . . . . 56.94 -152.26 24.13 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 369' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 104.06 1.84 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.508 1.794 . . . . 0.0 111.042 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 5.5 t -93.08 158.45 15.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 110.0 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 371' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -149.68 -58.36 0.2 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.005 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 372' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 179.995 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 290' ' ' SER . . . . . . . . . . . . . 78.1 p -172.72 81.39 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 0.771 . . . . 0.0 109.988 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 291' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -144.38 -57.99 0.37 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 110.015 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 292' ' ' GLY . . . . . . . . . . . . . . . 134.56 107.01 0.92 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.463 1.102 . . . . 0.0 111.037 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 293' ' ' SER . . . . . . . . . . . . . 1.6 m 64.68 161.76 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 0.773 . . . . 0.0 109.964 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 294' ' ' SER . . . . . . . . . . . . . 3.8 m 61.31 154.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.971 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . -68.75 -86.26 0.1 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.496 1.123 . . . . 0.0 110.986 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 296' ' ' GLY . . . . . . . . . . . . . . . 179.98 55.93 0.08 OUTLIER Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 297' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.6 114.98 1.02 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 0.768 . . . . 0.0 109.989 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 298' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.42 161.15 9.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.967 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 299' ' ' ILE . . . . . 0.561 HG22 ' O ' ' A' ' 299' ' ' ILE . 32.2 mm -111.79 26.98 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 300' ' ' LEU . . . . . 0.694 ' O ' HD12 ' A' ' 300' ' ' LEU . 1.3 pp 37.44 77.55 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 301' ' ' ASP . . . . . 0.575 ' HB3' HG23 ' A' ' 304' ' ' VAL . 0.3 OUTLIER -63.99 107.91 1.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 302' ' ' ARG . . . . . . . . . . . . . 5.9 tpp85 -58.8 -32.01 68.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.35 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -68.84 -32.0 71.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.252 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 304' ' ' VAL . . . . . 0.575 HG23 ' HB3' ' A' ' 301' ' ' ASP . 50.3 t -71.91 -46.42 60.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 109.344 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 305' ' ' ILE . . . . . 0.817 HG23 HD13 ' A' ' 328' ' ' LEU . 4.7 mt -60.05 -43.09 91.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 306' ' ' GLU . . . . . 0.457 ' O ' ' HE3' ' A' ' 342' ' ' MET . 0.9 OUTLIER -61.95 -44.48 96.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 110.323 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 26.8 t60 -69.02 -48.77 62.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.622 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 308' ' ' ASN . . . . . 0.473 ' HB3' ' CD2' ' A' ' 328' ' ' LEU . 1.2 m-80 -54.83 -38.49 67.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 309' ' ' LEU . . . . . 0.704 HD13 HG22 ' A' ' 338' ' ' ILE . 0.9 OUTLIER -62.76 -38.63 91.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 310' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 310' ' ' LEU . 22.3 mt -73.35 -38.16 65.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 311' ' ' SER . . . . . 0.837 ' O ' HD12 ' A' ' 315' ' ' LEU . 0.8 OUTLIER -68.37 -45.06 73.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.054 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -65.91 -24.43 66.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 313' ' ' SER . . . . . 0.484 ' HA ' ' CG ' ' A' ' 361' ' ' PHE . 11.7 t -67.77 -43.03 80.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.034 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 314' ' ' LYS . . . . . . . . . . . . . 28.1 mtmt -101.92 35.23 2.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.26 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 315' ' ' LEU . . . . . 0.837 HD12 ' O ' ' A' ' 311' ' ' SER . 6.3 mt -137.29 -69.42 0.46 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.12 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -79.61 154.34 28.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.15 . . . . 0.0 110.985 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 317' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -82.52 -38.82 23.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.247 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -166.42 135.71 3.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 319' ' ' ILE . . . . . 0.496 HD11 ' N ' ' A' ' 324' ' ' LEU . 1.4 tt -146.55 143.24 20.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 320' ' ' THR . . . . . 0.565 HG23 ' H ' ' A' ' 323' ' ' GLU . 5.4 t -86.31 168.98 13.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 110.418 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 321' ' ' PHE . . . . . 0.879 ' CB ' ' HB1' ' A' ' 332' ' ' ALA . 29.8 m-85 -61.31 -39.12 89.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 111.027 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -59.4 -49.05 79.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.317 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 323' ' ' GLU . . . . . 0.565 ' H ' HG23 ' A' ' 320' ' ' THR . 71.6 mm-40 -70.94 -48.19 54.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.309 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 324' ' ' LEU . . . . . 0.949 ' CD2' HD11 ' A' ' 328' ' ' LEU . 4.1 tt -57.21 -42.51 81.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 325' ' ' GLY . . . . . 0.485 ' O ' ' N ' ' A' ' 330' ' ' ILE . . . -68.37 -32.32 75.45 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.514 1.134 . . . . 0.0 110.976 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -71.34 -26.19 62.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 0.792 . . . . 0.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 327' ' ' LEU . . . . . 0.453 ' O ' HD12 ' A' ' 327' ' ' LEU . 0.6 OUTLIER -75.62 -38.59 58.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 328' ' ' LEU . . . . . 0.949 HD11 ' CD2' ' A' ' 324' ' ' LEU . 0.1 OUTLIER -95.09 3.92 54.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 65.55 9.05 5.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 110.293 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 330' ' ' ILE . . . . . 0.594 HG23 ' O ' ' A' ' 328' ' ' LEU . 3.8 pt -102.97 163.41 17.59 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 109.352 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 331' ' ' PRO . . . . . 0.48 ' HD2' ' CB ' ' A' ' 334' ' ' LYS . 18.3 Cg_endo -75.02 160.08 40.51 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.485 1.782 . . . . 0.0 110.954 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 332' ' ' ALA . . . . . 0.879 ' HB1' ' CB ' ' A' ' 321' ' ' PHE . . . -58.45 -37.79 76.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.265 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -61.12 -35.57 77.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.335 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 334' ' ' LYS . . . . . 0.48 ' CB ' ' HD2' ' A' ' 331' ' ' PRO . 0.0 OUTLIER -75.47 -47.93 24.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 335' ' ' ALA . . . . . 0.532 ' HB1' HD22 ' A' ' 324' ' ' LEU . . . -64.44 -32.36 73.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 336' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 332' ' ' ALA . 5.0 tt0 -70.57 -47.1 61.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.304 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 6.2 mmtm -61.84 -45.52 93.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.361 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 338' ' ' ILE . . . . . 0.704 HG22 HD13 ' A' ' 309' ' ' LEU . 58.2 mt -69.51 -43.48 80.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 339' ' ' ALA . . . . . 0.512 ' HB2' ' O ' ' A' ' 335' ' ' ALA . . . -57.26 -43.64 83.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.28 -43.42 70.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 110.013 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.47 -38.15 80.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.264 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 342' ' ' MET . . . . . 0.457 ' HE3' ' O ' ' A' ' 306' ' ' GLU . 0.0 OUTLIER -63.21 -43.1 99.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 111.0 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 343' ' ' ILE . . . . . . . . . . . . . 51.7 mt -68.25 -41.96 84.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 1.2 m -70.47 -29.18 65.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.416 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -79.89 -9.41 59.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.336 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 83.98 -12.76 52.42 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.499 1.125 . . . . 0.0 111.035 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 347' ' ' ARG . . . . . . . . . . . . . 36.3 mtt-85 -54.69 -44.52 73.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 0.776 . . . . 0.0 110.299 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 348' ' ' MET . . . . . 0.457 ' HG2' ' N ' ' A' ' 349' ' ' ASN . 6.2 ttm -112.92 144.07 43.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 111.025 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 349' ' ' ASN . . . . . 0.457 ' N ' ' HG2' ' A' ' 348' ' ' MET . 0.6 OUTLIER -108.59 129.43 55.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 142.34 -161.33 27.31 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.484 1.115 . . . . 0.0 111.006 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 351' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -146.13 162.6 37.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 0.735 . . . . 0.0 111.025 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 12.0 mt -104.05 121.08 55.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 353' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -84.51 109.88 18.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.29 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -86.03 -15.04 42.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.298 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 10.7 mm -69.47 -40.81 80.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.33 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -108.93 -15.01 14.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . 71.71 31.1 65.38 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.523 1.139 . . . . 0.0 110.998 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 358' ' ' ILE . . . . . . . . . . . . . 64.6 mt -114.46 140.6 34.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.47 0.747 . . . . 0.0 109.35 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 359' ' ' VAL . . . . . . . . . . . . . 69.3 t -83.31 121.23 35.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.336 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 360' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -88.79 110.94 21.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.612 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 361' ' ' PHE . . . . . 0.484 ' CG ' ' HA ' ' A' ' 313' ' ' SER . 10.1 m-85 -101.63 151.39 22.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -84.4 145.7 28.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.299 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 363' ' ' THR . . . . . . . . . . . . . 1.2 t -103.3 145.73 29.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 110.399 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 364' ' ' ARG . . . . . . . . . . . . . 8.7 mtt180 -60.54 143.2 54.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.296 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 365' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -75.77 122.35 23.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 110.304 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 366' ' ' ALA . . . . . . . . . . . . . . . -107.61 -62.1 1.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 2.7 m -131.52 154.08 49.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.009 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 368' ' ' GLY . . . . . . . . . . . . . . . -167.43 -169.71 31.33 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.509 1.131 . . . . 0.0 110.977 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 369' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 141.09 26.14 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.521 1.8 . . . . 0.0 111.032 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.92 145.08 50.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.983 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 371' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -162.08 88.87 0.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.027 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 372' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.518 1.136 . . . . 0.0 111.031 -179.996 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 290' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.9 144.27 29.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 0.747 . . . . 0.0 109.995 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 291' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.27 115.77 9.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.998 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 292' ' ' GLY . . . . . . . . . . . . . . . 91.76 149.11 23.43 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.438 1.086 . . . . 0.0 110.965 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 293' ' ' SER . . . . . . . . . . . . . 40.0 t -170.09 101.8 0.29 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 0.77 . . . . 0.0 109.981 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 294' ' ' SER . . . . . . . . . . . . . 43.7 t -105.95 -60.51 1.63 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.998 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 136.41 -147.31 19.15 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.521 1.138 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 296' ' ' GLY . . . . . . . . . . . . . . . -143.54 -127.39 2.09 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 297' ' ' SER . . . . . . . . . . . . . 13.6 m -103.63 -65.31 1.02 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 0.761 . . . . 0.0 109.986 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 298' ' ' SER . . . . . . . . . . . . . 1.4 m -76.27 125.57 29.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 109.983 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 299' ' ' ILE . . . . . 0.654 HG22 ' O ' ' A' ' 299' ' ' ILE . 25.7 mt -95.57 22.4 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -40.57 156.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.257 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 301' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -59.5 107.39 0.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 302' ' ' ARG . . . . . . . . . . . . . 9.6 tpp85 -57.44 -30.87 65.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.327 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -58.87 -34.23 71.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 109.294 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 304' ' ' VAL . . . . . 0.418 ' O ' ' ND2' ' A' ' 308' ' ' ASN . 30.1 t -72.01 -42.52 68.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 305' ' ' ILE . . . . . 0.573 HG21 ' CD1' ' A' ' 338' ' ' ILE . 1.7 mp -66.36 -40.05 85.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.252 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -66.54 -50.48 63.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.288 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 65.0 t60 -59.4 -48.36 81.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.661 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 308' ' ' ASN . . . . . 0.516 ' CB ' ' CD2' ' A' ' 328' ' ' LEU . 2.1 m120 -54.83 -38.54 67.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.276 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 309' ' ' LEU . . . . . 0.735 HD22 HG22 ' A' ' 338' ' ' ILE . 1.5 tp -62.92 -39.66 95.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 109.345 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 310' ' ' LEU . . . . . 0.555 HD21 ' O ' ' A' ' 347' ' ' ARG . 22.1 mt -74.09 -42.13 60.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 29.2 m -66.19 -40.98 90.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.014 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -64.24 -26.46 68.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 313' ' ' SER . . . . . 0.53 ' HA ' ' CG ' ' A' ' 361' ' ' PHE . 19.1 t -63.74 -31.2 72.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.028 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 314' ' ' LYS . . . . . . . . . . . . . 5.7 mtmt -107.03 36.6 2.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 12.2 mt -139.65 -63.17 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -100.16 136.86 39.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 317' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -71.76 -39.09 70.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -151.33 135.52 16.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 319' ' ' ILE . . . . . 0.922 ' O ' HG22 ' A' ' 359' ' ' VAL . 18.4 tt -146.49 147.16 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.337 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 320' ' ' THR . . . . . 0.487 HG23 ' H ' ' A' ' 323' ' ' GLU . 15.2 t -91.57 161.87 14.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.416 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 321' ' ' PHE . . . . . 0.62 ' HB2' ' HB1' ' A' ' 332' ' ' ALA . 22.3 m-85 -57.61 -35.11 70.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.995 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -62.78 -49.2 75.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 323' ' ' GLU . . . . . 0.487 ' H ' HG23 ' A' ' 320' ' ' THR . 6.5 mm-40 -71.21 -47.56 56.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.309 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 324' ' ' LEU . . . . . 0.746 HD22 HG21 ' A' ' 359' ' ' VAL . 17.7 tp -57.21 -41.83 80.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 325' ' ' GLY . . . . . 0.511 ' O ' ' N ' ' A' ' 330' ' ' ILE . . . -74.88 -33.09 56.04 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.468 1.105 . . . . 0.0 111.037 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -70.56 -26.52 63.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 0.758 . . . . 0.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 327' ' ' LEU . . . . . 0.505 ' O ' HD12 ' A' ' 327' ' ' LEU . 0.4 OUTLIER -76.17 -40.3 52.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 328' ' ' LEU . . . . . 0.516 ' CD2' ' CB ' ' A' ' 308' ' ' ASN . 0.1 OUTLIER -93.31 3.18 56.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.137 . . . . 0.0 109.304 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 329' ' ' GLU . . . . . 0.431 ' HB2' ' O ' ' A' ' 328' ' ' LEU . 3.3 mm-40 67.89 6.79 5.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 110.272 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 330' ' ' ILE . . . . . 0.511 ' N ' ' O ' ' A' ' 325' ' ' GLY . 11.2 pt -96.47 159.71 31.25 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.361 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 331' ' ' PRO . . . . . 0.467 ' HD2' ' CB ' ' A' ' 334' ' ' LYS . 18.2 Cg_endo -75.05 159.04 41.63 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.458 1.768 . . . . 0.0 110.987 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 332' ' ' ALA . . . . . 0.62 ' HB1' ' HB2' ' A' ' 321' ' ' PHE . . . -58.11 -35.44 71.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.156 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -63.29 -36.13 82.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 334' ' ' LYS . . . . . 0.467 ' CB ' ' HD2' ' A' ' 331' ' ' PRO . 0.0 OUTLIER -75.41 -48.56 22.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 335' ' ' ALA . . . . . 0.517 ' O ' ' CB ' ' A' ' 339' ' ' ALA . . . -64.51 -32.16 73.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 336' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 332' ' ' ALA . 4.7 tt0 -71.2 -47.16 59.09 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.135 . . . . 0.0 110.295 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.69 -45.88 81.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 338' ' ' ILE . . . . . 0.735 HG22 HD22 ' A' ' 309' ' ' LEU . 79.8 mt -65.63 -46.73 88.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 339' ' ' ALA . . . . . 0.612 ' HB3' HD11 ' A' ' 352' ' ' ILE . . . -56.2 -45.01 79.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.355 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.41 -43.49 66.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.098 . . . . 0.0 109.98 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -60.07 -41.53 92.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.581 1.176 . . . . 0.0 110.321 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 342' ' ' MET . . . . . 0.535 ' HG3' HD23 ' A' ' 309' ' ' LEU . 25.9 mmm -62.85 -46.88 85.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.981 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 343' ' ' ILE . . . . . 0.472 HG13 ' HE2' ' A' ' 348' ' ' MET . 65.5 mt -66.33 -40.82 87.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.552 1.158 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 6.7 m -68.58 -28.86 67.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.371 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 345' ' ' GLU . . . . . 0.433 ' OE2' ' NH2' ' A' ' 347' ' ' ARG . 4.1 mt-10 -86.15 -8.12 58.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.301 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 88.49 -19.86 34.03 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 347' ' ' ARG . . . . . 0.555 ' O ' HD21 ' A' ' 310' ' ' LEU . 80.1 mtt180 -45.77 -50.56 13.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 0.724 . . . . 0.0 110.297 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 348' ' ' MET . . . . . 0.472 ' HE2' HG13 ' A' ' 343' ' ' ILE . 37.1 ttp -106.33 151.19 25.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 111.028 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -110.37 132.0 54.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.138 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 133.56 -164.2 24.34 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.476 1.11 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 351' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -145.99 154.65 42.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 0.771 . . . . 0.0 110.98 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 352' ' ' ILE . . . . . 0.746 HG12 HG12 ' A' ' 359' ' ' VAL . 11.0 mt -95.2 118.42 41.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 353' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 357' ' ' GLY . 58.8 t0 -82.34 112.22 19.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -82.94 -15.55 50.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.332 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 35.2 mt -71.78 -40.77 69.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.329 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -109.75 -14.97 14.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 357' ' ' GLY . . . . . 0.541 ' O ' ' CE2' ' A' ' 321' ' ' PHE . . . 66.53 34.01 86.35 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.502 1.126 . . . . 0.0 111.028 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 358' ' ' ILE . . . . . . . . . . . . . 92.1 mt -118.07 140.33 41.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 0.775 . . . . 0.0 109.325 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 359' ' ' VAL . . . . . 0.922 HG22 ' O ' ' A' ' 319' ' ' ILE . 31.0 m -83.53 137.81 20.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 360' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -111.86 122.06 46.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.583 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 361' ' ' PHE . . . . . 0.53 ' CG ' ' HA ' ' A' ' 313' ' ' SER . 22.7 m-85 -103.44 156.33 17.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.971 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -83.53 147.27 27.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 110.307 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 363' ' ' THR . . . . . . . . . . . . . 5.0 t -112.28 147.58 35.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.351 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 364' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.17 143.77 52.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 110.298 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 365' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -71.54 74.81 0.79 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.3 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 366' ' ' ALA . . . . . . . . . . . . . . . -42.17 116.8 0.87 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 75.08 -62.57 0.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.01 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 368' ' ' GLY . . . . . . . . . . . . . . . 134.66 97.43 0.57 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.478 1.111 . . . . 0.0 111.039 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 369' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -46.55 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.472 1.775 . . . . 0.0 110.947 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 24.3 p -56.83 150.73 15.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.958 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 371' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 46.43 89.22 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 109.999 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 372' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.541 1.15 . . . . 0.0 110.977 179.952 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 290' ' ' SER . . . . . . . . . . . . . 7.1 t -125.01 -58.41 1.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 0.766 . . . . 0.0 109.985 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 291' ' ' SER . . . . . . . . . . . . . 3.8 m -169.97 -58.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.999 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 292' ' ' GLY . . . . . . . . . . . . . . . -141.32 70.61 0.43 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.524 1.14 . . . . 0.0 111.0 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 293' ' ' SER . . . . . . . . . . . . . 80.8 p -162.53 151.77 15.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 0.753 . . . . 0.0 110.027 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 294' ' ' SER . . . . . . . . . . . . . 2.1 t -52.31 122.87 9.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 110.012 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . -121.09 -87.87 0.98 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.499 1.124 . . . . 0.0 111.036 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 296' ' ' GLY . . . . . . . . . . . . . . . -60.35 133.58 50.36 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 297' ' ' SER . . . . . . . . . . . . . 18.6 m 46.31 86.51 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.462 0.743 . . . . 0.0 109.974 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 298' ' ' SER . . . . . . . . . . . . . 28.2 p -110.39 124.49 51.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 110.009 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 299' ' ' ILE . . . . . 0.477 HG22 ' O ' ' A' ' 299' ' ' ILE . 13.2 mt -107.61 23.32 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -42.73 107.01 0.07 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 301' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.89 107.68 19.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 302' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.49 -36.92 85.35 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.116 . . . . 0.0 110.313 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -60.95 -39.83 91.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.341 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 304' ' ' VAL . . . . . . . . . . . . . 45.7 t -65.13 -46.48 90.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 305' ' ' ILE . . . . . 0.632 HG23 HD13 ' A' ' 328' ' ' LEU . 11.7 mt -59.9 -43.13 91.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -66.76 -46.29 75.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.327 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 18.2 t60 -62.65 -48.95 77.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.662 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 308' ' ' ASN . . . . . 0.429 ' HB3' ' CD2' ' A' ' 328' ' ' LEU . 2.0 m-20 -54.94 -36.88 65.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 309' ' ' LEU . . . . . 0.88 HD21 HD21 ' A' ' 324' ' ' LEU . 0.6 OUTLIER -64.5 -40.38 95.53 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 310' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 310' ' ' LEU . 20.0 mt -73.92 -41.91 61.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 311' ' ' SER . . . . . 0.724 ' O ' HD12 ' A' ' 315' ' ' LEU . 0.3 OUTLIER -68.15 -37.46 81.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.015 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -76.03 -27.77 57.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.341 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 313' ' ' SER . . . . . 0.551 ' HA ' ' CG ' ' A' ' 361' ' ' PHE . 5.2 t -68.27 -21.48 64.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.985 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 314' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.21 -9.09 24.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 315' ' ' LEU . . . . . 0.724 HD12 ' O ' ' A' ' 311' ' ' SER . 2.8 mt -102.11 -79.47 0.52 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -66.24 138.27 57.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 111.013 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 317' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -79.13 -38.04 37.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -151.57 135.37 16.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.442 1.089 . . . . 0.0 109.347 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 319' ' ' ILE . . . . . 1.006 ' O ' HG22 ' A' ' 359' ' ' VAL . 16.0 tt -146.66 147.44 17.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.359 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 320' ' ' THR . . . . . 0.445 HG23 ' H ' ' A' ' 323' ' ' GLU . 12.7 t -95.17 163.93 13.07 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.135 . . . . 0.0 110.402 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 321' ' ' PHE . . . . . 0.729 ' CB ' ' HB1' ' A' ' 332' ' ' ALA . 19.1 m-85 -55.86 -38.72 70.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 111.034 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -60.36 -49.35 77.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 110.285 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 323' ' ' GLU . . . . . 0.445 ' H ' HG23 ' A' ' 320' ' ' THR . 41.2 mt-10 -71.98 -46.03 58.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 110.33 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 324' ' ' LEU . . . . . 0.88 HD21 HD21 ' A' ' 309' ' ' LEU . 15.5 tp -57.39 -41.44 80.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 325' ' ' GLY . . . . . 0.492 ' O ' ' N ' ' A' ' 330' ' ' ILE . . . -73.52 -32.53 59.56 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.573 1.171 . . . . 0.0 111.011 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -70.82 -26.95 63.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 0.772 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -76.03 -39.98 54.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 328' ' ' LEU . . . . . 0.632 HD13 HG23 ' A' ' 305' ' ' ILE . 0.1 OUTLIER -94.26 3.16 55.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 66.17 8.27 5.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 110.297 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 330' ' ' ILE . . . . . 0.522 HG23 ' O ' ' A' ' 328' ' ' LEU . 7.3 pt -98.16 164.04 18.06 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 331' ' ' PRO . . . . . 0.489 ' HD2' ' HB ' ' A' ' 330' ' ' ILE . 18.3 Cg_endo -74.99 156.48 43.03 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.478 1.778 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 332' ' ' ALA . . . . . 0.729 ' HB1' ' CB ' ' A' ' 321' ' ' PHE . . . -58.54 -31.7 68.18 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -65.26 -39.28 92.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.271 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 334' ' ' LYS . . . . . 0.403 ' O ' HG13 ' A' ' 338' ' ' ILE . 5.3 tptt -74.66 -48.24 27.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 335' ' ' ALA . . . . . 0.505 ' O ' ' CB ' ' A' ' 339' ' ' ALA . . . -65.34 -30.29 71.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 336' ' ' GLU . . . . . 0.502 ' CB ' ' O ' ' A' ' 332' ' ' ALA . 33.0 tt0 -69.05 -47.43 65.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.571 1.169 . . . . 0.0 110.315 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 37.2 tptt -69.79 -46.17 66.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 338' ' ' ILE . . . . . 0.595 HG22 HD13 ' A' ' 309' ' ' LEU . 94.9 mt -61.97 -47.3 93.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.344 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 339' ' ' ALA . . . . . 0.505 ' CB ' ' O ' ' A' ' 335' ' ' ALA . . . -55.99 -44.2 78.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.52 -43.69 66.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.953 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -60.29 -38.0 82.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.288 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 342' ' ' MET . . . . . 0.403 ' HE2' ' HB3' ' A' ' 347' ' ' ARG . 4.1 mtp -62.66 -46.61 87.38 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 0.0 110.946 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 343' ' ' ILE . . . . . 0.405 ' CG1' ' HB3' ' A' ' 348' ' ' MET . 43.1 mt -65.84 -38.04 81.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 3.0 m -72.72 -26.84 61.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 110.422 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -80.9 -9.01 59.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 90.17 -26.74 9.41 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.469 1.106 . . . . 0.0 111.017 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 347' ' ' ARG . . . . . 0.403 ' HB3' ' HE2' ' A' ' 342' ' ' MET . 53.2 mtt-85 -42.9 -55.85 3.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 0.739 . . . . 0.0 110.31 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 348' ' ' MET . . . . . 0.405 ' HB3' ' CG1' ' A' ' 343' ' ' ILE . 1.7 ttp -91.11 -175.57 4.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.969 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -153.2 129.26 10.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 136.51 -157.47 23.61 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.521 1.138 . . . . 0.0 111.006 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 351' ' ' PHE . . . . . 0.733 ' CE2' ' CG ' ' A' ' 360' ' ' HIS . 1.9 p90 -136.32 155.33 50.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 0.78 . . . . 0.0 110.956 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 352' ' ' ILE . . . . . 0.782 HG12 HG12 ' A' ' 359' ' ' VAL . 3.9 mt -105.93 108.78 25.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 109.261 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 353' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 357' ' ' GLY . 3.0 t0 -71.96 111.87 7.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -84.79 -33.94 22.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 0.0 110.334 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 61.9 mt -62.13 -31.87 52.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -110.84 -15.05 13.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.424 1.078 . . . . 0.0 109.293 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 357' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 353' ' ' ASP . . . 65.95 34.14 87.66 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.456 1.098 . . . . 0.0 110.988 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 358' ' ' ILE . . . . . . . . . . . . . 15.3 mt -115.36 160.14 14.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.535 0.785 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 359' ' ' VAL . . . . . 1.006 HG22 ' O ' ' A' ' 319' ' ' ILE . 27.0 m -109.2 135.78 47.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.085 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 360' ' ' HIS . . . . . 0.733 ' CG ' ' CE2' ' A' ' 351' ' ' PHE . 11.8 m-70 -104.35 112.42 25.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.594 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 361' ' ' PHE . . . . . 0.551 ' CG ' ' HA ' ' A' ' 313' ' ' SER . 17.5 m-85 -96.25 150.19 20.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -81.02 149.21 29.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.343 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 363' ' ' THR . . . . . . . . . . . . . 1.4 t -110.2 146.84 34.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 110.369 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 364' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.52 144.79 24.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 110.329 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 365' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 59.85 154.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.282 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 366' ' ' ALA . . . . . . . . . . . . . . . 41.55 89.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 109.268 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 38.7 p -162.82 110.35 1.26 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.004 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 368' ' ' GLY . . . . . . . . . . . . . . . 117.88 -145.53 18.49 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.495 1.122 . . . . 0.0 111.01 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 369' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 87.37 1.33 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.514 1.797 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.05 -57.62 8.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.986 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 371' ' ' SER . . . . . . . . . . . . . 41.0 m -121.31 142.76 49.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 110.026 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 372' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.939 0 O-C-N 124.566 1.166 . . . . 0.0 111.019 179.995 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 290' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.2 83.18 3.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 0.776 . . . . 0.0 110.013 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 291' ' ' SER . . . . . . . . . . . . . 1.4 m -157.45 167.22 30.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 110.001 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 292' ' ' GLY . . . . . . . . . . . . . . . -129.21 62.16 0.64 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.541 1.15 . . . . 0.0 111.007 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 293' ' ' SER . . . . . . . . . . . . . 90.9 p -175.33 80.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 0.0 109.972 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 294' ' ' SER . . . . . . . . . . . . . 6.4 t 179.18 114.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.99 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . -59.73 95.19 0.07 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.519 1.137 . . . . 0.0 110.979 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 296' ' ' GLY . . . . . . . . . . . . . . . -171.68 -117.56 0.44 Allowed Glycine 0 CA--C 1.53 1.016 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 297' ' ' SER . . . . . . . . . . . . . 71.8 p -51.35 101.49 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 0.764 . . . . 0.0 110.004 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 298' ' ' SER . . . . . . . . . . . . . 3.6 m -128.1 81.39 2.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.942 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 299' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -118.85 108.61 24.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 300' ' ' LEU . . . . . 0.439 HD12 ' N ' ' A' ' 301' ' ' ASP . 0.7 OUTLIER -121.44 -179.11 3.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 301' ' ' ASP . . . . . 0.52 ' OD1' ' HB3' ' A' ' 303' ' ' ALA . 43.6 t0 -58.99 107.95 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 302' ' ' ARG . . . . . 0.64 ' HA ' HD12 ' A' ' 305' ' ' ILE . 0.9 OUTLIER -62.66 -29.92 71.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.295 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 303' ' ' ALA . . . . . 0.52 ' HB3' ' OD1' ' A' ' 301' ' ' ASP . . . -62.16 -35.06 77.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 304' ' ' VAL . . . . . . . . . . . . . 40.1 t -62.98 -46.38 96.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 305' ' ' ILE . . . . . 0.79 ' HA ' HD22 ' A' ' 328' ' ' LEU . 3.3 mt -61.62 -47.22 94.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.341 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -57.78 -47.0 83.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 110.325 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 28.0 t60 -66.56 -48.81 68.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.674 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 308' ' ' ASN . . . . . 0.469 ' HB2' ' CD2' ' A' ' 328' ' ' LEU . 2.2 m120 -55.46 -38.28 68.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 309' ' ' LEU . . . . . 0.632 HD22 HG22 ' A' ' 338' ' ' ILE . 1.1 mp -62.91 -38.2 90.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 310' ' ' LEU . . . . . 0.584 HD21 ' O ' ' A' ' 347' ' ' ARG . 20.2 mt -74.16 -42.1 60.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 5.1 m -65.72 -45.23 83.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.979 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -67.54 -21.87 65.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.107 . . . . 0.0 109.32 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 313' ' ' SER . . . . . 0.535 ' HA ' ' CG ' ' A' ' 361' ' ' PHE . 27.8 t -74.2 -27.01 60.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.969 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 314' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.37 -7.26 22.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.593 1.183 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 1.5 mt -101.57 -79.14 0.52 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -73.51 135.73 44.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 317' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -74.15 -40.27 62.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -148.13 135.41 20.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 319' ' ' ILE . . . . . 0.927 ' O ' HG22 ' A' ' 359' ' ' VAL . 14.0 tt -146.61 147.62 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 320' ' ' THR . . . . . 0.441 HG23 ' H ' ' A' ' 323' ' ' GLU . 12.6 t -94.92 166.84 11.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 110.405 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 321' ' ' PHE . . . . . 0.814 ' CB ' ' HB1' ' A' ' 332' ' ' ALA . 22.5 m-85 -58.33 -37.28 74.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 110.989 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -61.79 -50.09 73.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.293 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 323' ' ' GLU . . . . . 0.441 ' H ' HG23 ' A' ' 320' ' ' THR . 6.0 mm-40 -72.78 -45.19 59.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.279 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 324' ' ' LEU . . . . . 0.892 HD22 HG21 ' A' ' 359' ' ' VAL . 11.5 tp -57.4 -42.36 82.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.243 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 325' ' ' GLY . . . . . 0.494 ' O ' ' N ' ' A' ' 330' ' ' ILE . . . -74.96 -33.29 55.4 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.456 1.097 . . . . 0.0 111.039 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -64.3 -31.55 72.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 0.766 . . . . 0.0 109.334 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 327' ' ' LEU . . . . . 0.51 ' O ' HD12 ' A' ' 327' ' ' LEU . 0.4 OUTLIER -75.73 -40.32 55.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 328' ' ' LEU . . . . . 0.881 ' O ' HG23 ' A' ' 330' ' ' ILE . 0.1 OUTLIER -87.58 10.57 17.49 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.464 1.102 . . . . 0.0 109.336 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 56.64 17.13 2.94 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 110.314 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 330' ' ' ILE . . . . . 0.881 HG23 ' O ' ' A' ' 328' ' ' LEU . 2.2 pt -112.55 165.58 12.77 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 331' ' ' PRO . . . . . 0.492 ' HD2' ' CB ' ' A' ' 334' ' ' LYS . 18.1 Cg_endo -75.05 161.23 38.97 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.49 1.784 . . . . 0.0 110.978 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 332' ' ' ALA . . . . . 0.814 ' HB1' ' CB ' ' A' ' 321' ' ' PHE . . . -58.56 -39.15 79.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -60.01 -37.61 80.23 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.454 1.096 . . . . 0.0 109.331 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 334' ' ' LYS . . . . . 0.492 ' CB ' ' HD2' ' A' ' 331' ' ' PRO . 3.3 tptt -73.27 -47.93 38.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 335' ' ' ALA . . . . . 0.407 ' O ' ' CB ' ' A' ' 339' ' ' ALA . . . -64.82 -30.5 71.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 336' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 332' ' ' ALA . 29.0 tt0 -70.54 -44.36 67.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.303 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 35.0 tptt -68.47 -46.19 70.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 338' ' ' ILE . . . . . 0.632 HG21 HG22 ' A' ' 305' ' ' ILE . 85.3 mt -63.19 -47.13 93.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 339' ' ' ALA . . . . . 0.563 ' HB3' HD11 ' A' ' 352' ' ' ILE . . . -56.71 -42.1 78.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.4 -50.45 31.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.984 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.91 -35.61 75.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 110.307 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 342' ' ' MET . . . . . . . . . . . . . 18.7 mmm -62.54 -47.07 85.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 110.966 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 343' ' ' ILE . . . . . . . . . . . . . 62.8 mt -68.1 -36.87 77.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.477 1.11 . . . . 0.0 109.322 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 6.9 m -66.25 -32.86 74.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.419 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -80.07 -8.69 59.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.275 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 85.68 -12.86 58.23 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.501 1.126 . . . . 0.0 111.016 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 347' ' ' ARG . . . . . 0.584 ' O ' HD21 ' A' ' 310' ' ' LEU . 9.9 mtp180 -53.64 -47.53 70.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 0.771 . . . . 0.0 110.304 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 33.4 ttp -106.91 147.47 29.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.989 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -110.51 132.12 54.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 137.54 -162.23 25.43 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.449 1.093 . . . . 0.0 110.987 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 351' ' ' PHE . . . . . . . . . . . . . 9.6 p90 -146.11 151.69 38.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 0.776 . . . . 0.0 110.967 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 352' ' ' ILE . . . . . 0.679 HG12 HG12 ' A' ' 359' ' ' VAL . 10.4 mt -94.99 126.97 47.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 353' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 357' ' ' GLY . 59.5 t0 -91.47 110.04 21.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -81.82 -14.81 55.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 110.335 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 24.9 mt -70.17 -42.0 79.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.245 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -110.76 -14.32 14.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 357' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 353' ' ' ASP . . . 69.14 34.12 75.2 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.514 1.134 . . . . 0.0 111.026 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 358' ' ' ILE . . . . . . . . . . . . . 74.1 mt -117.76 140.41 41.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.54 0.788 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 359' ' ' VAL . . . . . 0.927 HG22 ' O ' ' A' ' 319' ' ' ILE . 30.7 m -81.25 136.18 23.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 360' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -108.76 111.35 23.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.645 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 361' ' ' PHE . . . . . 0.535 ' CG ' ' HA ' ' A' ' 313' ' ' SER . 21.4 m-85 -93.08 155.89 17.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -80.34 139.23 36.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.248 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 363' ' ' THR . . . . . . . . . . . . . 2.3 t -110.19 144.92 38.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.422 1.076 . . . . 0.0 110.426 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 364' ' ' ARG . . . . . 0.438 ' HD2' ' N ' ' A' ' 364' ' ' ARG . 0.1 OUTLIER -44.22 144.59 0.94 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.311 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 365' ' ' GLU . . . . . 0.412 ' O ' ' HB3' ' A' ' 366' ' ' ALA . 2.1 tp10 -57.93 122.21 12.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.302 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 366' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 365' ' ' GLU . . . 67.52 151.88 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 34.7 t -136.57 -63.38 0.63 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 110.033 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 368' ' ' GLY . . . . . . . . . . . . . . . -89.32 -161.78 37.82 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.524 1.14 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 369' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -53.87 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.42 1.747 . . . . 0.0 111.0 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 67.6 m -132.01 120.17 22.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 110.019 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 371' ' ' SER . . . . . . . . . . . . . 15.8 p -62.94 143.27 57.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.977 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 372' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 -179.98 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 290' ' ' SER . . . . . . . . . . . . . 4.5 t -146.17 93.89 2.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 0.791 . . . . 0.0 110.006 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 291' ' ' SER . . . . . . . . . . . . . 13.4 m -118.17 -58.2 2.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 109.99 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 292' ' ' GLY . . . . . . . . . . . . . . . 50.6 95.27 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.516 1.135 . . . . 0.0 111.016 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 293' ' ' SER . . . . . . . . . . . . . 31.7 p -115.65 161.14 19.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 0.769 . . . . 0.0 109.997 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 294' ' ' SER . . . . . . . . . . . . . 16.6 t -174.67 85.65 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 109.989 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 161.64 -120.2 0.93 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.481 1.113 . . . . 0.0 111.01 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 296' ' ' GLY . . . . . . . . . . . . . . . 163.24 -110.01 0.41 Allowed Glycine 0 CA--C 1.531 1.04 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 297' ' ' SER . . . . . . . . . . . . . 34.4 p -157.5 115.34 3.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 0.789 . . . . 0.0 110.021 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 298' ' ' SER . . . . . 0.437 ' C ' ' N ' ' A' ' 300' ' ' LEU . 0.5 OUTLIER -172.21 98.36 0.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.967 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 299' ' ' ILE . . . . . 0.74 HG22 ' O ' ' A' ' 299' ' ' ILE . 2.8 mp 39.9 30.29 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 300' ' ' LEU . . . . . 0.547 HD12 HD11 ' A' ' 305' ' ' ILE . 0.1 OUTLIER -145.97 113.17 6.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.255 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 301' ' ' ASP . . . . . 0.522 ' O ' HD12 ' A' ' 305' ' ' ILE . 0.7 OUTLIER -96.9 107.36 19.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.342 179.931 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 302' ' ' ARG . . . . . 0.423 ' NH1' ' HE2' ' A' ' 334' ' ' LYS . 0.2 OUTLIER -68.71 -32.33 72.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 110.324 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -71.23 -36.46 71.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 304' ' ' VAL . . . . . 0.438 HG23 ' HB3' ' A' ' 301' ' ' ASP . 47.8 t -66.47 -46.69 85.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 305' ' ' ILE . . . . . 0.697 HG23 HD13 ' A' ' 328' ' ' LEU . 7.6 mt -60.13 -43.37 92.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 306' ' ' GLU . . . . . 0.445 ' OE2' ' NH1' ' A' ' 347' ' ' ARG . 1.7 mt-10 -59.83 -48.54 81.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.34 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 23.5 t60 -66.72 -49.89 64.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.637 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 308' ' ' ASN . . . . . 0.504 ' HB3' HD21 ' A' ' 328' ' ' LEU . 0.9 OUTLIER -55.3 -36.75 66.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 309' ' ' LEU . . . . . 0.786 HD21 HD21 ' A' ' 324' ' ' LEU . 1.3 mt -65.19 -40.93 94.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.082 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 310' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 310' ' ' LEU . 20.4 mt -74.07 -42.04 60.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 311' ' ' SER . . . . . 0.519 ' O ' HD12 ' A' ' 315' ' ' LEU . 0.5 OUTLIER -67.51 -42.42 82.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.028 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -67.09 -22.1 65.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 313' ' ' SER . . . . . 0.545 ' HA ' ' CG ' ' A' ' 361' ' ' PHE . 28.7 t -73.94 -33.39 63.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.997 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 314' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -90.41 -8.85 49.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 315' ' ' LEU . . . . . 0.519 HD12 ' O ' ' A' ' 311' ' ' SER . 4.3 mt -99.15 -77.99 0.51 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -74.94 134.97 41.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 317' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -70.62 -43.08 70.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.086 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -150.88 135.33 17.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 319' ' ' ILE . . . . . 0.554 HG22 ' CE2' ' A' ' 361' ' ' PHE . 16.4 tt -146.74 147.21 18.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 320' ' ' THR . . . . . 0.491 HG23 ' H ' ' A' ' 323' ' ' GLU . 12.3 t -89.21 167.08 13.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.367 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 321' ' ' PHE . . . . . 0.838 ' CB ' ' HB1' ' A' ' 332' ' ' ALA . 36.3 m-85 -61.72 -35.36 77.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.956 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -62.14 -49.16 76.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.277 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 323' ' ' GLU . . . . . 0.491 ' H ' HG23 ' A' ' 320' ' ' THR . 16.8 mm-40 -71.62 -47.0 57.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 110.29 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 324' ' ' LEU . . . . . 0.786 HD21 HD21 ' A' ' 309' ' ' LEU . 21.0 tp -57.2 -41.9 80.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 325' ' ' GLY . . . . . 0.488 ' O ' ' N ' ' A' ' 330' ' ' ILE . . . -73.09 -32.59 60.34 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.514 1.134 . . . . 0.0 111.028 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -68.52 -28.6 67.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 0.791 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.0 -41.83 49.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 328' ' ' LEU . . . . . 0.697 HD13 HG23 ' A' ' 305' ' ' ILE . 0.2 OUTLIER -89.34 3.27 52.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 109.312 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 64.74 10.56 6.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 330' ' ' ILE . . . . . 0.602 HG23 ' O ' ' A' ' 328' ' ' LEU . 3.4 pt -103.56 163.14 18.03 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 331' ' ' PRO . . . . . 0.419 ' HD2' ' HB ' ' A' ' 330' ' ' ILE . 18.3 Cg_endo -74.98 158.32 42.33 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.487 1.783 . . . . 0.0 110.985 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 332' ' ' ALA . . . . . 0.838 ' HB1' ' CB ' ' A' ' 321' ' ' PHE . . . -58.53 -40.6 83.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.36 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -58.21 -35.07 71.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 334' ' ' LYS . . . . . 0.47 ' CG ' HD12 ' A' ' 330' ' ' ILE . 9.7 tptm -75.33 -48.01 25.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 335' ' ' ALA . . . . . 0.516 ' O ' ' CB ' ' A' ' 339' ' ' ALA . . . -63.97 -32.59 74.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 336' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 332' ' ' ALA . 12.1 tt0 -68.28 -47.28 68.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.309 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 6.1 tppt? -63.52 -45.3 91.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.348 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 338' ' ' ILE . . . . . 0.597 HG22 ' CD1' ' A' ' 309' ' ' LEU . 70.0 mt -68.83 -44.61 81.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 339' ' ' ALA . . . . . 0.516 ' CB ' ' O ' ' A' ' 335' ' ' ALA . . . -56.67 -44.86 81.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.07 -40.77 71.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.026 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.65 -37.86 85.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.331 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 342' ' ' MET . . . . . . . . . . . . . 8.4 mtp -62.88 -46.93 85.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 111.028 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 343' ' ' ILE . . . . . . . . . . . . . 55.0 mt -68.04 -34.27 65.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.107 . . . . 0.0 109.28 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -71.17 -31.52 67.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.434 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -83.6 -8.96 59.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.322 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 88.18 -19.98 32.15 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.514 1.134 . . . . 0.0 111.0 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 347' ' ' ARG . . . . . 0.445 ' NH1' ' OE2' ' A' ' 306' ' ' GLU . 78.2 mtt180 -44.46 -51.06 9.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 0.771 . . . . 0.0 110.338 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 29.8 ttp -103.44 151.05 23.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.974 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -113.78 132.01 56.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.267 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 134.86 -159.94 24.11 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.498 1.124 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 351' ' ' PHE . . . . . . . . . . . . . 9.6 p90 -146.14 164.74 31.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 0.733 . . . . 0.0 111.006 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 17.7 mt -104.29 125.03 59.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.336 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 353' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -88.67 110.03 20.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.125 . . . . 0.0 109.252 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -83.01 -16.45 47.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 14.4 mt -69.99 -41.67 79.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.27 -13.3 14.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 357' ' ' GLY . . . . . 0.423 ' O ' ' CE2' ' A' ' 321' ' ' PHE . . . 67.45 29.65 74.33 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.563 1.164 . . . . 0.0 111.019 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 358' ' ' ILE . . . . . . . . . . . . . 70.9 mt -112.64 145.32 18.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.499 0.764 . . . . 0.0 109.275 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 359' ' ' VAL . . . . . . . . . . . . . 71.2 t -87.72 128.56 40.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 360' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -98.06 110.96 23.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.574 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 361' ' ' PHE . . . . . 0.554 ' CE2' HG22 ' A' ' 319' ' ' ILE . 16.4 m-85 -94.11 150.21 20.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 111.017 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -105.97 152.31 23.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 110.284 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 363' ' ' THR . . . . . . . . . . . . . 1.7 t -91.26 147.1 23.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.413 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 364' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.52 150.59 47.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.316 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 365' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -104.23 133.92 48.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.318 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 366' ' ' ALA . . . . . . . . . . . . . . . -140.8 177.82 7.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.21 89.98 5.7 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 109.975 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 368' ' ' GLY . . . . . . . . . . . . . . . 144.76 157.16 7.1 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.532 1.145 . . . . 0.0 111.014 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 369' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 156.22 43.0 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.505 1.792 . . . . 0.0 111.062 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.95 123.85 44.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.975 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 371' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -100.49 -60.48 1.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.045 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 372' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 179.949 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 290' ' ' SER . . . . . . . . . . . . . 13.1 t -179.36 143.6 0.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 0.77 . . . . 0.0 109.988 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 291' ' ' SER . . . . . . . . . . . . . 1.1 t 62.03 160.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.996 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 292' ' ' GLY . . . . . . . . . . . . . . . -94.47 -133.32 6.99 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.486 1.116 . . . . 0.0 111.027 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 293' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 177.68 77.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 0.762 . . . . 0.0 109.987 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 294' ' ' SER . . . . . . . . . . . . . 2.5 m 53.55 172.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.983 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . -69.66 162.92 52.1 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.446 1.091 . . . . 0.0 110.977 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 296' ' ' GLY . . . . . . . . . . . . . . . 69.8 90.33 0.08 OUTLIER Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 297' ' ' SER . . . . . . . . . . . . . 47.0 p -171.34 -173.94 1.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 0.755 . . . . 0.0 109.971 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 298' ' ' SER . . . . . . . . . . . . . 3.3 m -77.69 81.88 4.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.952 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 299' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -117.01 108.29 24.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 300' ' ' LEU . . . . . 0.601 HD13 ' H ' ' A' ' 300' ' ' LEU . 0.0 OUTLIER -44.27 161.59 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 301' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.86 107.37 0.52 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 109.357 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 302' ' ' ARG . . . . . . . . . . . . . 13.8 tpp180 -58.07 -30.94 66.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.276 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -58.81 -34.02 71.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 304' ' ' VAL . . . . . . . . . . . . . 25.0 t -71.19 -43.65 74.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 305' ' ' ILE . . . . . 0.531 ' N ' HD12 ' A' ' 305' ' ' ILE . 1.6 mp -63.76 -40.06 87.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -69.56 -50.74 41.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 110.285 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 60.8 t60 -59.16 -48.6 81.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 109.584 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 308' ' ' ASN . . . . . 0.453 ' HB3' HD23 ' A' ' 328' ' ' LEU . 9.6 m120 -55.13 -39.88 69.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 309' ' ' LEU . . . . . 0.473 HD22 HG22 ' A' ' 338' ' ' ILE . 1.1 tp -62.78 -42.19 99.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 310' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 310' ' ' LEU . 18.8 mt -71.8 -35.37 69.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 311' ' ' SER . . . . . 0.716 ' O ' HD12 ' A' ' 315' ' ' LEU . 0.1 OUTLIER -71.92 -44.82 63.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.998 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -61.58 -27.9 68.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 313' ' ' SER . . . . . 0.571 ' HA ' ' CD1' ' A' ' 361' ' ' PHE . 43.2 t -65.11 -45.0 86.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.02 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 314' ' ' LYS . . . . . . . . . . . . . 4.8 mttp -101.58 36.67 1.98 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.256 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 315' ' ' LEU . . . . . 0.716 HD12 ' O ' ' A' ' 311' ' ' SER . 9.0 mt -138.63 -62.95 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -93.5 153.23 18.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 110.982 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 317' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -88.28 -41.22 13.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -153.45 135.69 14.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 319' ' ' ILE . . . . . 0.782 HG23 HD12 ' A' ' 324' ' ' LEU . 17.7 tt -146.52 144.37 20.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . 81.1 p -88.45 160.67 17.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.43 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 321' ' ' PHE . . . . . 0.681 ' HB3' ' HB1' ' A' ' 332' ' ' ALA . 52.8 m-85 -55.81 -35.01 65.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 111.016 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -66.31 -49.08 68.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 110.274 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -70.73 -43.81 68.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.34 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 324' ' ' LEU . . . . . 0.782 HD12 HG23 ' A' ' 319' ' ' ILE . 1.1 tt -57.15 -44.14 83.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 325' ' ' GLY . . . . . 0.493 ' O ' ' N ' ' A' ' 330' ' ' ILE . . . -68.62 -32.48 74.74 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.514 1.134 . . . . 0.0 110.996 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -71.39 -25.86 62.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 0.78 . . . . 0.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 1.2 tp -75.94 -38.25 57.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.16 . . . . 0.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 328' ' ' LEU . . . . . 0.718 HD11 HD23 ' A' ' 324' ' ' LEU . 0.1 OUTLIER -95.78 4.46 52.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 65.36 9.19 5.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.283 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 330' ' ' ILE . . . . . 0.608 HG23 ' O ' ' A' ' 328' ' ' LEU . 4.0 pt -103.24 164.5 15.35 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.261 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 331' ' ' PRO . . . . . 0.455 ' HD2' ' HB ' ' A' ' 330' ' ' ILE . 18.3 Cg_endo -74.95 160.35 40.4 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.479 1.778 . . . . 0.0 111.049 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 332' ' ' ALA . . . . . 0.681 ' HB1' ' HB3' ' A' ' 321' ' ' PHE . . . -58.35 -39.34 79.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -59.39 -36.77 76.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 334' ' ' LYS . . . . . 0.527 ' O ' ' CG1' ' A' ' 338' ' ' ILE . 2.1 tptt -74.52 -48.1 29.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 335' ' ' ALA . . . . . 0.453 ' O ' ' CB ' ' A' ' 339' ' ' ALA . . . -63.21 -32.07 73.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 336' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 332' ' ' ALA . 6.5 tt0 -71.69 -47.24 55.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.286 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.78 -45.59 67.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 338' ' ' ILE . . . . . 0.527 ' CG1' ' O ' ' A' ' 334' ' ' LYS . 1.7 mm -61.27 -47.75 92.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 339' ' ' ALA . . . . . 0.453 ' CB ' ' O ' ' A' ' 335' ' ' ALA . . . -57.68 -44.32 85.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.62 -40.67 73.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.975 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.29 -41.01 96.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.32 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 342' ' ' MET . . . . . 0.462 ' HG3' ' CD2' ' A' ' 309' ' ' LEU . 46.7 mmm -63.94 -48.92 74.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 111.004 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 343' ' ' ILE . . . . . . . . . . . . . 45.8 mt -63.54 -39.57 85.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 2.2 m -66.47 -26.99 67.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.388 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -87.73 -8.91 55.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 110.297 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 90.55 -29.31 6.82 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.521 1.138 . . . . 0.0 110.996 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 347' ' ' ARG . . . . . . . . . . . . . 13.4 mtp180 -39.1 -44.2 1.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 0.758 . . . . 0.0 110.27 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 23.1 ttp -110.35 154.33 23.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.979 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -121.08 132.07 54.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.265 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 139.65 -164.8 25.97 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.535 1.147 . . . . 0.0 110.982 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 351' ' ' PHE . . . . . . . . . . . . . 26.7 p90 -146.12 164.04 33.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 0.769 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 22.5 mt -107.06 121.6 60.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 353' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -85.86 109.84 18.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -84.46 -19.87 32.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.287 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 5.7 mm -64.54 -42.22 94.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.342 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -108.01 -14.97 14.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . 70.9 33.52 65.85 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.513 1.133 . . . . 0.0 111.012 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 358' ' ' ILE . . . . . . . . . . . . . 86.1 mt -114.11 149.06 16.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 0.742 . . . . 0.0 109.321 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 359' ' ' VAL . . . . . . . . . . . . . 51.1 t -92.43 119.54 40.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 360' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -85.52 110.94 19.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.573 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 361' ' ' PHE . . . . . 0.571 ' CD1' ' HA ' ' A' ' 313' ' ' SER . 4.7 m-85 -99.84 146.57 26.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -79.99 133.69 36.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.274 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 363' ' ' THR . . . . . . . . . . . . . 1.2 t -112.03 147.07 36.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.367 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 364' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -71.65 130.28 40.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 110.281 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 365' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -53.81 133.62 42.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.311 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 366' ' ' ALA . . . . . . . . . . . . . . . -52.86 121.54 7.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 109.256 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 177.1 147.99 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.137 . . . . 0.0 109.988 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 368' ' ' GLY . . . . . . . . . . . . . . . -38.02 157.39 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.555 1.159 . . . . 0.0 110.981 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 369' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 82.8 1.94 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.461 1.769 . . . . 0.0 110.998 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 33.9 p -91.6 136.69 32.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 110.009 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 371' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 42.42 81.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.999 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 372' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 O-C-N 124.542 1.152 . . . . 0.0 110.98 179.978 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 290' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.23 88.51 1.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 0.778 . . . . 0.0 110.008 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 291' ' ' SER . . . . . . . . . . . . . 26.1 t -179.11 152.35 0.55 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.994 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 292' ' ' GLY . . . . . . . . . . . . . . . -148.17 59.33 0.46 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.53 1.144 . . . . 0.0 111.005 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 293' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -172.39 122.01 0.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 0.759 . . . . 0.0 110.016 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 294' ' ' SER . . . . . . . . . . . . . 53.4 p -147.99 146.89 29.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.009 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 74.2 -169.53 53.87 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.547 1.155 . . . . 0.0 110.97 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 296' ' ' GLY . . . . . . . . . . . . . . . 127.71 87.31 0.57 Allowed Glycine 0 CA--C 1.531 1.039 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 297' ' ' SER . . . . . . . . . . . . . 1.3 p -111.63 -9.06 14.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 0.763 . . . . 0.0 110.015 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 298' ' ' SER . . . . . . . . . . . . . 5.1 t -88.68 152.02 22.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.97 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 299' ' ' ILE . . . . . 0.487 HG22 ' O ' ' A' ' 299' ' ' ILE . 3.4 mp -110.75 29.12 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 300' ' ' LEU . . . . . 0.505 HD12 ' CD1' ' A' ' 305' ' ' ILE . 0.1 OUTLIER -148.61 117.06 6.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 301' ' ' ASP . . . . . 0.89 ' O ' HD12 ' A' ' 305' ' ' ILE . 29.2 m-20 -97.15 107.15 19.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 302' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.52 -27.6 64.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.28 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -69.78 -44.06 70.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 304' ' ' VAL . . . . . 0.404 HG23 ' HB3' ' A' ' 301' ' ' ASP . 97.6 t -62.85 -46.37 96.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 305' ' ' ILE . . . . . 0.89 HD12 ' O ' ' A' ' 301' ' ' ASP . 5.1 mt -65.49 -42.24 92.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.256 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -63.91 -42.71 97.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.31 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 14.5 t60 -71.19 -49.6 42.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.574 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 308' ' ' ASN . . . . . 0.564 ' CB ' HD23 ' A' ' 328' ' ' LEU . 7.1 m-80 -54.82 -34.86 63.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 109.33 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 309' ' ' LEU . . . . . 0.659 HD13 HG22 ' A' ' 338' ' ' ILE . 2.2 mt -67.25 -41.35 85.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 310' ' ' LEU . . . . . 0.475 HD23 ' HA ' ' A' ' 310' ' ' LEU . 16.1 mt -73.97 -40.93 62.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 311' ' ' SER . . . . . 0.428 ' O ' HD12 ' A' ' 315' ' ' LEU . 0.4 OUTLIER -69.52 -40.95 76.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.583 1.177 . . . . 0.0 110.033 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 312' ' ' ALA . . . . . 0.426 ' CB ' ' O ' ' A' ' 308' ' ' ASN . . . -61.12 -31.87 71.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 313' ' ' SER . . . . . . . . . . . . . 30.6 t -61.07 -38.81 87.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.998 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 314' ' ' LYS . . . . . . . . . . . . . 34.2 mtmt -100.16 35.32 2.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.082 . . . . 0.0 109.315 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 315' ' ' LEU . . . . . 0.428 HD12 ' O ' ' A' ' 311' ' ' SER . 8.8 mt -140.96 -49.08 0.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 316' ' ' TYR . . . . . 0.427 ' N ' ' CD1' ' A' ' 316' ' ' TYR . 8.9 m-85 -109.72 151.63 26.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.972 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 317' ' ' ASN . . . . . . . . . . . . . 15.5 m-20 -84.79 -46.46 11.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -149.76 135.79 18.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.137 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 319' ' ' ILE . . . . . . . . . . . . . 19.7 tt -146.3 145.79 19.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.29 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 320' ' ' THR . . . . . 0.583 HG23 ' H ' ' A' ' 323' ' ' GLU . 9.7 t -88.12 164.32 15.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.41 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 321' ' ' PHE . . . . . 0.744 ' CB ' ' HB1' ' A' ' 332' ' ' ALA . 52.1 m-85 -58.23 -38.45 76.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.979 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -60.44 -49.35 77.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.272 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 323' ' ' GLU . . . . . 0.583 ' H ' HG23 ' A' ' 320' ' ' THR . 21.4 mm-40 -72.22 -43.36 64.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 110.32 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 324' ' ' LEU . . . . . 0.531 ' O ' HD12 ' A' ' 328' ' ' LEU . 12.3 tp -57.46 -42.46 82.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.254 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 325' ' ' GLY . . . . . 0.477 ' O ' ' N ' ' A' ' 330' ' ' ILE . . . -74.26 -32.73 57.82 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.507 1.129 . . . . 0.0 111.015 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -66.51 -30.34 70.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 0.756 . . . . 0.0 109.314 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 327' ' ' LEU . . . . . 0.487 ' O ' HD12 ' A' ' 327' ' ' LEU . 0.3 OUTLIER -75.49 -41.47 55.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 328' ' ' LEU . . . . . 0.678 ' O ' HG23 ' A' ' 330' ' ' ILE . 0.1 OUTLIER -87.75 3.82 46.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 63.37 11.99 5.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 110.283 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 330' ' ' ILE . . . . . 0.678 HG23 ' O ' ' A' ' 328' ' ' LEU . 2.0 pt -107.65 165.03 13.51 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 331' ' ' PRO . . . . . 0.44 ' HD2' ' HB ' ' A' ' 330' ' ' ILE . 18.5 Cg_endo -74.93 158.61 42.35 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.514 1.797 . . . . 0.0 111.017 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 332' ' ' ALA . . . . . 0.744 ' HB1' ' CB ' ' A' ' 321' ' ' PHE . . . -58.7 -35.57 72.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -62.27 -37.77 86.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.341 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 334' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.86 -48.2 26.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 335' ' ' ALA . . . . . 0.508 ' O ' ' CB ' ' A' ' 339' ' ' ALA . . . -63.95 -30.7 71.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -70.9 -47.23 60.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.272 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 9.0 tptt -66.44 -45.87 78.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 338' ' ' ILE . . . . . 0.659 HG22 HD13 ' A' ' 309' ' ' LEU . 87.1 mt -64.7 -46.72 91.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 339' ' ' ALA . . . . . 0.508 ' CB ' ' O ' ' A' ' 335' ' ' ALA . . . -56.88 -43.78 81.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.341 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.33 -43.72 66.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.016 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -59.74 -37.87 80.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.278 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 342' ' ' MET . . . . . 0.455 ' HB2' ' HE3' ' A' ' 348' ' ' MET . 2.8 mmm -65.59 -37.64 87.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 111.024 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 343' ' ' ILE . . . . . . . . . . . . . 34.3 mt -68.14 -49.13 70.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 1.2 m -62.35 -30.56 71.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 110.356 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -79.88 -9.4 59.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 110.281 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 89.18 -27.75 7.29 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.518 1.136 . . . . 0.0 110.985 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 347' ' ' ARG . . . . . . . . . . . . . 24.0 mtt85 -38.71 -56.92 1.27 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.508 0.769 . . . . 0.0 110.279 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 348' ' ' MET . . . . . 0.455 ' HE3' ' HB2' ' A' ' 342' ' ' MET . 12.7 ttm -100.39 143.91 30.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 111.006 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 349' ' ' ASN . . . . . 0.429 ' N ' ' HG2' ' A' ' 348' ' ' MET . 1.4 t30 -113.13 131.22 55.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 142.24 -160.43 27.21 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 351' ' ' PHE . . . . . . . . . . . . . 20.3 p90 -146.11 149.21 33.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 0.745 . . . . 0.0 111.031 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 10.1 mt -94.64 117.5 38.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.37 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 353' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -80.4 110.03 15.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -82.69 -18.34 41.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 6.2 mm -67.64 -40.43 84.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -108.92 -15.02 14.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.285 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 357' ' ' GLY . . . . . 0.454 ' O ' ' CE2' ' A' ' 321' ' ' PHE . . . 68.97 33.05 73.91 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.49 1.119 . . . . 0.0 111.011 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 358' ' ' ILE . . . . . . . . . . . . . 94.8 mt -113.65 148.07 16.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 0.77 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 359' ' ' VAL . . . . . . . . . . . . . 58.0 t -92.86 133.18 34.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.337 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 360' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -108.83 110.85 22.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 109.599 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 361' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -95.16 153.83 17.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 110.979 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -113.34 146.29 39.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 110.281 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 363' ' ' THR . . . . . . . . . . . . . 33.4 p -85.9 138.09 32.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.385 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 364' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.37 63.89 1.5 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 365' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -153.91 162.81 40.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.289 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 366' ' ' ALA . . . . . . . . . . . . . . . -59.52 -58.02 10.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.25 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 60.75 162.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 110.018 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 368' ' ' GLY . . . . . . . . . . . . . . . 115.41 80.31 0.86 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.48 1.112 . . . . 0.0 110.991 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 369' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -53.37 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.471 1.774 . . . . 0.0 111.01 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -142.38 103.76 4.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.996 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 371' ' ' SER . . . . . . . . . . . . . 30.0 p -169.82 170.11 8.01 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 0.0 110.013 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 372' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.507 1.129 . . . . 0.0 110.984 -179.976 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 290' ' ' SER . . . . . . . . . . . . . 1.4 t -103.65 107.39 18.22 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.438 0.728 . . . . 0.0 109.975 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 291' ' ' SER . . . . . . . . . . . . . 16.5 m -129.26 99.44 5.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.986 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 292' ' ' GLY . . . . . . . . . . . . . . . 148.92 -73.78 0.28 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.462 1.101 . . . . 0.0 111.02 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 293' ' ' SER . . . . . . . . . . . . . 14.0 m -85.99 102.23 13.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 0.75 . . . . 0.0 109.968 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 294' ' ' SER . . . . . . . . . . . . . 38.9 m -71.64 146.23 48.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.967 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 167.89 132.68 1.44 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.51 1.131 . . . . 0.0 110.957 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 296' ' ' GLY . . . . . . . . . . . . . . . 80.23 -124.6 6.54 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 297' ' ' SER . . . . . . . . . . . . . 77.4 p -51.0 126.35 16.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 0.769 . . . . 0.0 110.012 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 298' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.16 119.87 32.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.002 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 299' ' ' ILE . . . . . 0.402 ' O ' ' C ' ' A' ' 300' ' ' LEU . 5.0 mm -93.25 34.7 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 300' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 299' ' ' ILE . 1.7 pt? -40.18 111.48 0.2 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.565 1.166 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 301' ' ' ASP . . . . . 0.589 ' HB3' HG23 ' A' ' 304' ' ' VAL . 0.1 OUTLIER -96.99 107.52 20.06 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 302' ' ' ARG . . . . . 0.403 ' NH1' ' HE3' ' A' ' 334' ' ' LYS . 0.0 OUTLIER -58.58 -35.68 72.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 110.324 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -65.0 -35.09 80.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 304' ' ' VAL . . . . . 0.589 HG23 ' HB3' ' A' ' 301' ' ' ASP . 41.4 t -65.53 -46.44 89.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 305' ' ' ILE . . . . . 0.746 HG23 HD13 ' A' ' 328' ' ' LEU . 4.8 mt -65.8 -42.99 93.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 306' ' ' GLU . . . . . 0.428 ' O ' ' HE2' ' A' ' 342' ' ' MET . 10.3 mt-10 -57.76 -42.95 85.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.281 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 45.7 t60 -71.04 -42.58 69.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.586 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 308' ' ' ASN . . . . . 0.474 ' HB2' ' CD2' ' A' ' 328' ' ' LEU . 10.5 m120 -54.98 -41.44 71.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.297 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 309' ' ' LEU . . . . . 0.468 ' CD2' ' HA ' ' A' ' 339' ' ' ALA . 1.8 mp -62.96 -37.5 87.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 310' ' ' LEU . . . . . 0.466 HD21 ' O ' ' A' ' 347' ' ' ARG . 34.8 mt -69.61 -38.48 77.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 311' ' ' SER . . . . . 0.519 ' O ' HD12 ' A' ' 315' ' ' LEU . 0.4 OUTLIER -74.13 -44.9 52.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.0 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -62.03 -22.9 66.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 109.268 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 313' ' ' SER . . . . . 0.451 ' HB2' ' CD1' ' A' ' 361' ' ' PHE . 20.3 t -72.18 -44.57 62.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.012 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 314' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.72 -7.79 59.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 315' ' ' LEU . . . . . 0.519 HD12 ' O ' ' A' ' 311' ' ' SER . 2.9 mt -102.13 -84.43 0.45 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.328 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -66.77 146.58 54.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 317' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -85.45 -38.92 18.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -157.45 135.77 11.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 319' ' ' ILE . . . . . 0.479 HG23 HD12 ' A' ' 324' ' ' LEU . 4.5 tt -146.51 146.66 18.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.086 . . . . 0.0 109.3 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . 60.0 p -88.08 162.77 16.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.409 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 321' ' ' PHE . . . . . 0.672 ' HB3' ' HB1' ' A' ' 332' ' ' ALA . 51.2 m-85 -56.6 -39.18 73.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 111.008 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -61.68 -48.88 78.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.302 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -71.41 -45.12 63.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.308 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 324' ' ' LEU . . . . . 0.924 ' CD2' HD11 ' A' ' 328' ' ' LEU . 3.0 tt -57.19 -43.44 82.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 325' ' ' GLY . . . . . 0.468 ' CA ' ' O ' ' A' ' 330' ' ' ILE . . . -69.17 -32.35 72.58 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.536 1.147 . . . . 0.0 110.995 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -71.31 -26.64 62.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 0.772 . . . . 0.0 109.34 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 327' ' ' LEU . . . . . 0.428 ' O ' HD12 ' A' ' 327' ' ' LEU . 0.8 OUTLIER -75.45 -38.64 59.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 109.334 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 328' ' ' LEU . . . . . 0.924 HD11 ' CD2' ' A' ' 324' ' ' LEU . 0.1 OUTLIER -93.49 -0.72 56.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 71.31 4.7 5.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.575 1.172 . . . . 0.0 110.297 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 330' ' ' ILE . . . . . 0.468 ' O ' ' CA ' ' A' ' 325' ' ' GLY . 4.1 pt -99.87 163.45 18.39 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 331' ' ' PRO . . . . . 0.444 ' HD2' ' HB ' ' A' ' 330' ' ' ILE . 18.5 Cg_endo -74.97 159.48 41.41 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.544 1.813 . . . . 0.0 111.041 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 332' ' ' ALA . . . . . 0.672 ' HB1' ' HB3' ' A' ' 321' ' ' PHE . . . -58.78 -34.28 71.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -63.61 -38.25 90.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 334' ' ' LYS . . . . . 0.435 ' CB ' ' HD2' ' A' ' 331' ' ' PRO . 12.7 tptt -74.59 -47.77 30.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 335' ' ' ALA . . . . . 0.403 ' O ' ' CB ' ' A' ' 339' ' ' ALA . . . -64.1 -32.72 74.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -69.04 -45.5 70.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.31 -46.01 74.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 338' ' ' ILE . . . . . 0.425 HD12 ' CD1' ' A' ' 330' ' ' ILE . 90.4 mt -63.51 -47.43 91.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.36 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 339' ' ' ALA . . . . . 0.468 ' HA ' ' CD2' ' A' ' 309' ' ' LEU . . . -56.87 -43.0 80.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.46 -46.73 59.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.941 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.81 -36.78 77.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 110.319 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 342' ' ' MET . . . . . 0.428 ' HE2' ' O ' ' A' ' 306' ' ' GLU . 28.4 mmm -62.76 -49.01 76.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 111.04 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 343' ' ' ILE . . . . . 0.59 HD11 ' HE3' ' A' ' 348' ' ' MET . 69.2 mt -68.15 -32.96 58.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 1.1 m -69.6 -31.61 69.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.395 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -86.79 -9.02 56.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 0.0 110.309 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 89.09 -22.6 21.9 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.507 1.13 . . . . 0.0 111.028 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 347' ' ' ARG . . . . . 0.466 ' O ' HD21 ' A' ' 310' ' ' LEU . 79.3 mtt-85 -42.95 -37.59 1.93 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 0.781 . . . . 0.0 110.309 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 348' ' ' MET . . . . . 0.59 ' HE3' HD11 ' A' ' 343' ' ' ILE . 41.1 ttp -118.83 143.68 46.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.957 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -106.14 132.95 51.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 133.38 -165.72 24.01 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.519 1.137 . . . . 0.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 351' ' ' PHE . . . . . . . . . . . . . 23.9 p90 -146.08 162.61 37.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 0.751 . . . . 0.0 111.026 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 29.7 mt -101.03 117.84 46.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 353' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -80.83 109.8 15.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.128 . . . . 0.0 109.323 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -87.71 -15.73 36.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.308 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 14.3 mt -69.54 -39.31 78.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 356' ' ' ASP . . . . . 0.426 ' HB3' HD12 ' A' ' 358' ' ' ILE . 0.8 OUTLIER -108.67 -14.58 14.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.282 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . 71.2 31.42 66.34 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.495 1.122 . . . . 0.0 111.046 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 358' ' ' ILE . . . . . 0.426 HD12 ' HB3' ' A' ' 356' ' ' ASP . 27.9 mt -115.92 147.89 19.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.476 0.751 . . . . 0.0 109.249 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 359' ' ' VAL . . . . . . . . . . . . . 53.5 t -89.56 125.36 42.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.546 1.154 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 360' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -93.13 110.97 22.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.622 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 361' ' ' PHE . . . . . 0.451 ' CD1' ' HB2' ' A' ' 313' ' ' SER . 9.3 m-85 -97.6 151.97 19.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 111.029 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 362' ' ' GLU . . . . . 0.433 ' OE1' ' HA ' ' A' ' 362' ' ' GLU . 4.1 tp10 -108.54 146.34 33.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 363' ' ' THR . . . . . . . . . . . . . 1.6 t -104.29 147.03 27.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 110.385 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 364' ' ' ARG . . . . . . . . . . . . . 2.3 mtt-85 -106.01 147.5 28.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.31 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 365' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.71 105.24 1.2 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.107 . . . . 0.0 110.297 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 366' ' ' ALA . . . . . . . . . . . . . . . -119.37 167.18 12.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.73 -57.78 1.98 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 110.025 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 368' ' ' GLY . . . . . . . . . . . . . . . -163.25 170.5 38.71 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.461 1.101 . . . . 0.0 110.989 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 369' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 135.37 18.96 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.477 1.777 . . . . 0.0 111.022 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -87.5 140.89 29.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.98 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 371' ' ' SER . . . . . . . . . . . . . 33.4 t -178.35 -58.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.99 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 372' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.507 1.129 . . . . 0.0 110.95 -179.993 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 290' ' ' SER . . . . . . . . . . . . . 34.0 t -138.87 109.73 6.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 0.789 . . . . 0.0 109.963 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 291' ' ' SER . . . . . . . . . . . . . 3.5 t 56.91 164.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.98 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 292' ' ' GLY . . . . . . . . . . . . . . . 110.84 -115.71 4.08 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.488 1.117 . . . . 0.0 110.99 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 293' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 54.63 86.19 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.423 0.719 . . . . 0.0 109.962 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 294' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 69.79 -83.59 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.999 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 63.0 -155.91 41.74 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.456 1.098 . . . . 0.0 111.021 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 296' ' ' GLY . . . . . . . . . . . . . . . -106.86 -111.26 3.55 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 297' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.49 106.69 0.15 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 0.785 . . . . 0.0 109.979 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 298' ' ' SER . . . . . . . . . . . . . 3.5 m -132.42 84.5 2.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.979 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 299' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -122.44 108.06 20.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 300' ' ' LEU . . . . . 0.673 ' O ' HD22 ' A' ' 300' ' ' LEU . 0.0 OUTLIER -111.33 156.83 20.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 109.321 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 301' ' ' ASP . . . . . 0.435 ' HB3' HG23 ' A' ' 304' ' ' VAL . 3.9 t0 -58.94 107.37 0.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.349 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 302' ' ' ARG . . . . . 0.467 ' CZ ' HG12 ' A' ' 338' ' ' ILE . 0.4 OUTLIER -58.23 -31.92 67.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -59.0 -33.6 70.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 304' ' ' VAL . . . . . 0.435 HG23 ' HB3' ' A' ' 301' ' ' ASP . 46.1 t -69.79 -45.63 76.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 305' ' ' ILE . . . . . 0.633 ' O ' HD12 ' A' ' 309' ' ' LEU . 1.4 mp -59.51 -40.08 80.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -69.68 -48.4 59.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.283 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -58.94 -49.19 78.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.143 . . . . 0.0 109.607 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 308' ' ' ASN . . . . . 0.493 ' HB3' ' CD2' ' A' ' 328' ' ' LEU . 0.7 OUTLIER -54.91 -40.32 69.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.267 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 309' ' ' LEU . . . . . 0.633 HD12 ' O ' ' A' ' 305' ' ' ILE . 0.4 OUTLIER -62.65 -35.79 80.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 310' ' ' LEU . . . . . . . . . . . . . 49.6 mt -72.17 -38.08 69.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 311' ' ' SER . . . . . 0.42 ' C ' HD12 ' A' ' 315' ' ' LEU . 52.7 m -74.12 -42.83 59.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.983 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -59.8 -22.54 62.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 313' ' ' SER . . . . . 0.468 ' HA ' ' CG ' ' A' ' 361' ' ' PHE . 4.5 p -70.26 -35.17 73.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 110.025 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 314' ' ' LYS . . . . . . . . . . . . . 12.6 mtmm -107.25 35.14 3.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 315' ' ' LEU . . . . . 0.42 HD12 ' C ' ' A' ' 311' ' ' SER . 11.1 mt -137.17 -75.61 0.41 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -80.82 149.84 29.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 111.007 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 317' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -82.27 -43.39 17.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.272 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -155.36 135.9 13.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.338 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 319' ' ' ILE . . . . . 0.404 ' CD1' ' HA ' ' A' ' 324' ' ' LEU . 3.4 tt -146.3 145.58 19.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 320' ' ' THR . . . . . 0.56 HG23 ' H ' ' A' ' 323' ' ' GLU . 12.6 t -88.48 162.42 16.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.365 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 321' ' ' PHE . . . . . 0.701 ' HB3' ' HB1' ' A' ' 332' ' ' ALA . 63.7 m-85 -56.52 -39.27 73.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.975 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -61.53 -47.14 86.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 323' ' ' GLU . . . . . 0.56 ' H ' HG23 ' A' ' 320' ' ' THR . 56.6 mm-40 -71.96 -47.21 53.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.329 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 324' ' ' LEU . . . . . 0.957 ' CD2' HD11 ' A' ' 328' ' ' LEU . 4.5 tt -57.13 -42.79 81.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 325' ' ' GLY . . . . . 0.499 ' O ' ' N ' ' A' ' 330' ' ' ILE . . . -70.94 -32.68 66.1 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.465 1.103 . . . . 0.0 111.004 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -70.66 -26.12 63.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 0.754 . . . . 0.0 109.295 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.82 -39.13 57.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.258 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 328' ' ' LEU . . . . . 0.957 HD11 ' CD2' ' A' ' 324' ' ' LEU . 0.1 OUTLIER -94.84 4.33 53.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 65.61 8.95 5.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.278 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 330' ' ' ILE . . . . . 0.575 HG23 ' O ' ' A' ' 328' ' ' LEU . 4.9 pt -101.17 162.62 19.97 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 331' ' ' PRO . . . . . 0.485 ' HD2' ' CB ' ' A' ' 334' ' ' LYS . 18.3 Cg_endo -75.04 161.38 38.75 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.464 1.771 . . . . 0.0 110.946 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 332' ' ' ALA . . . . . 0.701 ' HB1' ' HB3' ' A' ' 321' ' ' PHE . . . -58.53 -42.39 87.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -57.54 -34.5 69.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 334' ' ' LYS . . . . . 0.485 ' CB ' ' HD2' ' A' ' 331' ' ' PRO . 9.8 tptm -75.25 -48.82 21.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 335' ' ' ALA . . . . . 0.543 ' O ' ' CB ' ' A' ' 339' ' ' ALA . . . -63.48 -34.88 78.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 336' ' ' GLU . . . . . 0.442 ' HB2' ' CD1' ' A' ' 321' ' ' PHE . 3.5 tt0 -71.78 -47.35 54.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 0.0 110.296 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 25.7 tttp -66.5 -46.36 76.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.287 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 338' ' ' ILE . . . . . 0.605 HG22 HD13 ' A' ' 309' ' ' LEU . 61.2 mt -64.61 -46.74 91.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.135 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 339' ' ' ALA . . . . . 0.543 ' CB ' ' O ' ' A' ' 335' ' ' ALA . . . -55.75 -42.54 75.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.48 -40.82 70.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 109.954 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -39.53 93.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.303 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 342' ' ' MET . . . . . . . . . . . . . 9.7 mtp -62.7 -45.97 90.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.979 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 343' ' ' ILE . . . . . . . . . . . . . 40.2 mt -66.94 -37.26 79.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 6.9 m -67.55 -27.0 66.58 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.493 1.12 . . . . 0.0 110.427 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -88.79 -9.42 51.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.095 . . . . 0.0 110.304 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 88.96 -27.56 7.28 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.496 1.123 . . . . 0.0 110.959 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 347' ' ' ARG . . . . . . . . . . . . . 74.4 mtt-85 -38.75 -37.49 0.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 0.762 . . . . 0.0 110.32 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 6.1 ttp -110.42 176.37 5.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.965 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -143.52 130.38 20.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 133.42 -158.13 23.06 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.514 1.134 . . . . 0.0 110.971 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 351' ' ' PHE . . . . . . . . . . . . . 19.3 p90 -146.12 165.1 30.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 0.736 . . . . 0.0 111.026 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 8.6 mt -106.89 115.35 48.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 353' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -76.53 110.29 10.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -89.63 -12.22 40.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 110.292 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 57.9 mt -73.19 -39.54 56.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 109.322 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -110.28 -14.81 14.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . 73.25 29.62 64.04 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.546 1.153 . . . . 0.0 110.953 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 358' ' ' ILE . . . . . . . . . . . . . 49.5 mt -110.9 142.39 23.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.497 0.763 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 359' ' ' VAL . . . . . . . . . . . . . 82.4 t -85.74 123.67 39.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 360' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -90.96 110.76 22.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.598 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 361' ' ' PHE . . . . . 0.468 ' CG ' ' HA ' ' A' ' 313' ' ' SER . 12.3 m-85 -99.44 150.81 21.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 111.038 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -103.57 145.76 29.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.291 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 363' ' ' THR . . . . . . . . . . . . . 1.3 t -91.58 146.33 23.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.355 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 364' ' ' ARG . . . . . . . . . . . . . 21.3 ttt180 -48.74 123.6 7.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 110.29 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 365' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.25 146.89 31.45 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.135 . . . . 0.0 110.278 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 366' ' ' ALA . . . . . . . . . . . . . . . -167.58 88.54 0.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 2.1 t -53.64 -57.33 11.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 110.001 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 368' ' ' GLY . . . . . . . . . . . . . . . -163.34 -152.3 6.79 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.526 1.141 . . . . 0.0 110.977 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 369' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 103.45 1.74 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.483 1.78 . . . . 0.0 111.009 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 14.0 p -120.63 162.69 19.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.967 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 371' ' ' SER . . . . . . . . . . . . . 1.9 t -76.32 -58.55 3.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.004 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 372' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.52 1.137 . . . . 0.0 111.01 -179.985 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 290' ' ' SER . . . . . . . . . . . . . 14.8 m -110.06 -58.64 2.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 0.747 . . . . 0.0 109.975 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 291' ' ' SER . . . . . . . . . . . . . 32.6 t -159.79 -60.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.991 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 292' ' ' GLY . . . . . . . . . . . . . . . 137.74 151.04 5.8 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.523 1.139 . . . . 0.0 110.979 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 293' ' ' SER . . . . . . . . . . . . . 17.0 t -141.36 120.1 12.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 0.754 . . . . 0.0 109.985 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 294' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.59 166.97 2.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 109.973 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 63.08 157.64 0.13 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.532 1.145 . . . . 0.0 110.991 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 296' ' ' GLY . . . . . . . . . . . . . . . -179.84 115.3 0.47 Allowed Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 297' ' ' SER . . . . . . . . . . . . . 1.1 m -93.74 -41.04 9.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 0.779 . . . . 0.0 110.027 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 298' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.55 -177.9 0.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.011 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 299' ' ' ILE . . . . . 0.723 HG22 ' O ' ' A' ' 299' ' ' ILE . 12.7 mt -101.64 26.98 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 300' ' ' LEU . . . . . 0.681 ' C ' HD12 ' A' ' 300' ' ' LEU . 0.2 OUTLIER -40.11 112.24 0.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.29 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 301' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -94.81 107.39 19.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.347 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 302' ' ' ARG . . . . . . . . . . . . . 2.5 tpp180 -63.43 -29.7 70.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 110.266 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -69.69 -35.77 75.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 304' ' ' VAL . . . . . 0.404 ' O ' ' OD1' ' A' ' 308' ' ' ASN . 10.4 t -72.24 -46.81 56.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 305' ' ' ILE . . . . . . . . . . . . . 7.1 mt -59.61 -40.46 82.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 306' ' ' GLU . . . . . 0.582 ' O ' ' HE1' ' A' ' 342' ' ' MET . 12.1 mt-10 -58.83 -48.8 80.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.35 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 24.7 t60 -71.44 -44.57 64.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.625 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 308' ' ' ASN . . . . . 0.445 ' HB2' ' CD2' ' A' ' 328' ' ' LEU . 19.4 m-20 -54.01 -32.76 55.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.337 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 309' ' ' LEU . . . . . 0.444 ' CD2' ' HA ' ' A' ' 339' ' ' ALA . 1.8 tp -70.06 -49.02 55.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.276 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 310' ' ' LEU . . . . . 0.72 HD11 ' O ' ' A' ' 347' ' ' ARG . 0.2 OUTLIER -64.1 -45.04 90.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 13.0 m -59.46 -41.66 90.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 109.956 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -66.07 -21.94 66.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 109.291 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 313' ' ' SER . . . . . 0.472 ' HA ' ' CG ' ' A' ' 361' ' ' PHE . 1.4 p -68.44 -32.92 73.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.064 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 314' ' ' LYS . . . . . . . . . . . . . 5.9 mttp -108.01 33.59 4.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 7.4 mt -137.74 -66.09 0.51 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.357 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -93.86 117.12 29.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 111.006 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 317' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -50.22 -38.16 38.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -161.86 136.42 6.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 319' ' ' ILE . . . . . 0.543 HG21 HD13 ' A' ' 324' ' ' LEU . 19.8 tt -145.15 142.82 22.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 320' ' ' THR . . . . . 0.912 HG22 HD12 ' A' ' 358' ' ' ILE . 29.2 p -80.99 165.74 21.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 110.418 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 321' ' ' PHE . . . . . 0.743 ' CB ' ' HB1' ' A' ' 332' ' ' ALA . 69.7 m-85 -62.14 -32.27 72.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 111.002 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -64.81 -49.33 71.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.331 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 323' ' ' GLU . . . . . 0.429 ' HB3' HD11 ' A' ' 319' ' ' ILE . 9.2 mm-40 -72.2 -45.64 59.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.284 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 324' ' ' LEU . . . . . 0.543 HD13 HG21 ' A' ' 319' ' ' ILE . 18.2 tp -57.32 -41.77 80.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 325' ' ' GLY . . . . . 0.499 ' O ' ' N ' ' A' ' 330' ' ' ILE . . . -74.52 -32.9 57.1 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.509 1.13 . . . . 0.0 110.978 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -68.89 -27.55 65.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 0.748 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 327' ' ' LEU . . . . . 0.418 ' O ' HD12 ' A' ' 327' ' ' LEU . 0.3 OUTLIER -75.9 -41.45 51.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.259 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 328' ' ' LEU . . . . . 0.567 ' O ' HG23 ' A' ' 330' ' ' ILE . 0.0 OUTLIER -90.45 4.11 51.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 65.47 9.4 5.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.59 1.181 . . . . 0.0 110.314 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 330' ' ' ILE . . . . . 0.567 HG23 ' O ' ' A' ' 328' ' ' LEU . 5.8 pt -101.82 161.85 22.19 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 331' ' ' PRO . . . . . 0.416 ' HD2' ' HB ' ' A' ' 330' ' ' ILE . 18.3 Cg_endo -75.01 158.4 42.17 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.469 1.773 . . . . 0.0 111.045 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 332' ' ' ALA . . . . . 0.743 ' HB1' ' CB ' ' A' ' 321' ' ' PHE . . . -58.76 -36.57 74.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -60.72 -43.11 98.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 334' ' ' LYS . . . . . 0.523 ' O ' ' CG1' ' A' ' 338' ' ' ILE . 0.3 OUTLIER -70.26 -47.66 60.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.337 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 335' ' ' ALA . . . . . . . . . . . . . . . -63.22 -30.87 71.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 336' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 332' ' ' ALA . 11.9 tt0 -71.31 -47.26 57.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.318 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 21.3 mmmt -69.47 -45.4 69.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 338' ' ' ILE . . . . . 0.523 ' CG1' ' O ' ' A' ' 334' ' ' LYS . 1.6 mm -59.23 -47.83 89.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 109.246 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 339' ' ' ALA . . . . . 0.444 ' HA ' ' CD2' ' A' ' 309' ' ' LEU . . . -59.62 -45.53 91.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.83 -43.14 89.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 109.97 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -35.98 80.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.273 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 342' ' ' MET . . . . . 0.582 ' HE1' ' O ' ' A' ' 306' ' ' GLU . 2.8 mtp -64.31 -44.35 91.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 111.05 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 343' ' ' ILE . . . . . . . . . . . . . 23.3 mt -67.41 -47.25 81.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 8.8 m -58.01 -37.81 75.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.382 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -79.67 -7.42 58.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.311 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 83.88 -11.63 56.25 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 347' ' ' ARG . . . . . 0.72 ' O ' HD11 ' A' ' 310' ' ' LEU . 8.7 mmt180 -50.03 -41.85 48.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 0.788 . . . . 0.0 110.299 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 348' ' ' MET . . . . . 0.447 ' HG2' ' N ' ' A' ' 349' ' ' ASN . 8.8 ttm -115.62 141.57 47.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 111.034 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 349' ' ' ASN . . . . . 0.447 ' N ' ' HG2' ' A' ' 348' ' ' MET . 0.7 OUTLIER -102.41 130.37 49.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 134.62 -160.23 24.16 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.115 . . . . 0.0 111.007 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 351' ' ' PHE . . . . . . . . . . . . . 14.3 p90 -146.2 163.15 36.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 0.778 . . . . 0.0 111.02 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 352' ' ' ILE . . . . . 0.412 HD11 ' CB ' ' A' ' 339' ' ' ALA . 10.4 mt -105.0 130.73 55.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 353' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -92.85 110.45 21.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.09 . . . . 0.0 109.317 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -88.97 -17.17 30.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 33.0 mm -70.44 -39.11 75.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -107.24 -11.21 15.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . 68.22 29.75 73.4 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.491 1.119 . . . . 0.0 111.016 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 358' ' ' ILE . . . . . 0.912 HD12 HG22 ' A' ' 320' ' ' THR . 6.7 mm -113.99 149.78 16.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.559 0.799 . . . . 0.0 109.233 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 359' ' ' VAL . . . . . . . . . . . . . 56.5 t -94.75 120.21 43.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 360' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -86.9 111.32 20.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.603 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 361' ' ' PHE . . . . . 0.472 ' CG ' ' HA ' ' A' ' 313' ' ' SER . 8.8 m-85 -103.11 150.81 23.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 111.004 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -82.51 142.85 31.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 110.312 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 363' ' ' THR . . . . . . . . . . . . . 1.4 t -106.16 146.26 30.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.421 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 364' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.03 132.5 46.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.095 . . . . 0.0 110.311 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 365' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.34 75.22 7.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.283 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 366' ' ' ALA . . . . . . . . . . . . . . . -150.6 77.59 1.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 19.1 t -165.22 -57.09 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.982 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 368' ' ' GLY . . . . . . . . . . . . . . . 140.92 94.95 0.25 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.53 1.144 . . . . 0.0 110.972 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 369' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 173.97 13.6 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.467 1.772 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 3.7 m -42.25 139.61 1.37 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.991 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 371' ' ' SER . . . . . . . . . . . . . 3.4 t -115.37 101.44 8.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 109.981 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 372' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.512 1.133 . . . . 0.0 111.02 -179.981 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.065 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 290' ' ' SER . . . . . . . . . . . . . 9.3 m 54.03 78.77 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 0.783 . . . . 0.0 109.973 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 291' ' ' SER . . . . . . . . . . . . . 29.0 t -124.99 155.5 39.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.103 . . . . 0.0 110.025 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 292' ' ' GLY . . . . . . . . . . . . . . . -159.34 -150.7 5.9 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.508 1.13 . . . . 0.0 111.016 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 293' ' ' SER . . . . . . . . . . . . . 9.0 t -128.35 94.69 3.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 0.774 . . . . 0.0 109.995 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 294' ' ' SER . . . . . . . . . . . . . 2.0 t 68.6 86.01 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.993 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . -119.77 71.24 0.34 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.486 1.116 . . . . 0.0 111.013 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 296' ' ' GLY . . . . . . . . . . . . . . . 158.75 -61.17 0.32 Allowed Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 297' ' ' SER . . . . . . . . . . . . . 1.4 t -70.05 -176.02 1.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 0.772 . . . . 0.0 109.995 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 298' ' ' SER . . . . . . . . . . . . . 9.6 m -72.34 135.57 45.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.996 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 299' ' ' ILE . . . . . . . . . . . . . 1.5 mp -112.75 25.98 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -41.22 104.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 301' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.24 107.78 19.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 302' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.45 -33.69 74.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.308 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -62.58 -41.82 99.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 304' ' ' VAL . . . . . . . . . . . . . 40.7 t -62.81 -46.26 96.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 305' ' ' ILE . . . . . 0.569 ' HA ' HD22 ' A' ' 328' ' ' LEU . 23.1 mt -59.78 -40.94 83.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -67.45 -47.32 70.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 110.28 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 15.4 t60 -61.82 -49.7 75.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 109.61 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 308' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -55.1 -37.42 66.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 309' ' ' LEU . . . . . 0.525 HD12 ' O ' ' A' ' 305' ' ' ILE . 0.5 OUTLIER -64.24 -41.17 97.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 310' ' ' LEU . . . . . 0.897 HD21 ' O ' ' A' ' 347' ' ' ARG . 23.4 mt -74.22 -42.06 60.37 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.16 -44.97 82.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 110.02 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -67.18 -23.12 65.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.334 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 313' ' ' SER . . . . . 0.564 ' HA ' ' CD2' ' A' ' 361' ' ' PHE . 2.8 t -74.17 -30.73 62.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.956 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 314' ' ' LYS . . . . . . . . . . . . . 15.4 mttt -93.1 -6.58 47.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 10.5 mt -98.15 -87.92 0.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -65.03 165.45 11.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 317' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -98.32 -44.66 6.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.248 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -144.51 135.34 24.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.254 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 319' ' ' ILE . . . . . 0.91 ' O ' HG22 ' A' ' 359' ' ' VAL . 6.4 tt -146.56 143.33 20.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 320' ' ' THR . . . . . 0.607 HG23 ' H ' ' A' ' 323' ' ' GLU . 5.6 t -85.65 161.97 19.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.343 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 321' ' ' PHE . . . . . 0.755 ' CB ' ' HB1' ' A' ' 332' ' ' ALA . 15.5 m-85 -56.92 -38.87 73.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.59 1.182 . . . . 0.0 111.044 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -60.31 -45.68 92.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.34 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 323' ' ' GLU . . . . . 0.607 ' H ' HG23 ' A' ' 320' ' ' THR . 30.8 mm-40 -71.97 -46.47 57.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.311 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 324' ' ' LEU . . . . . 0.774 HD12 HG21 ' A' ' 359' ' ' VAL . 0.5 OUTLIER -56.97 -44.23 82.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 325' ' ' GLY . . . . . 0.456 ' CA ' ' O ' ' A' ' 330' ' ' ILE . . . -71.72 -31.96 64.56 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.57 1.168 . . . . 0.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -70.49 -25.99 63.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 0.789 . . . . 0.0 109.265 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 1.2 tp -75.4 -42.38 53.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.338 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 328' ' ' LEU . . . . . 0.614 HD11 HD23 ' A' ' 324' ' ' LEU . 0.1 OUTLIER -90.76 -2.84 57.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.343 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 329' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 325' ' ' GLY . 5.3 mt-10 76.28 -0.67 3.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 110.269 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 330' ' ' ILE . . . . . 0.456 ' O ' ' CA ' ' A' ' 325' ' ' GLY . 7.0 pt -90.92 163.18 30.7 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 109.333 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 331' ' ' PRO . . . . . 0.451 ' HD2' ' HB ' ' A' ' 330' ' ' ILE . 18.3 Cg_endo -75.05 157.46 42.56 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.486 1.782 . . . . 0.0 110.98 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 332' ' ' ALA . . . . . 0.755 ' HB1' ' CB ' ' A' ' 321' ' ' PHE . . . -58.53 -32.39 68.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 109.341 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -63.22 -39.2 93.95 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 334' ' ' LYS . . . . . 0.452 ' HB3' HD12 ' A' ' 330' ' ' ILE . 0.0 OUTLIER -75.24 -48.04 25.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 335' ' ' ALA . . . . . 0.511 ' O ' ' CB ' ' A' ' 339' ' ' ALA . . . -63.97 -30.87 71.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 336' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 332' ' ' ALA . 6.2 tt0 -70.45 -46.99 62.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 110.336 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 15.0 mttt -68.26 -45.78 72.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.257 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 338' ' ' ILE . . . . . 0.493 HG22 HD13 ' A' ' 309' ' ' LEU . 83.9 mt -63.7 -47.29 91.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 339' ' ' ALA . . . . . 0.511 ' CB ' ' O ' ' A' ' 335' ' ' ALA . . . -56.63 -43.88 80.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.33 -45.19 63.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.982 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -61.83 -37.88 86.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 110.317 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 342' ' ' MET . . . . . 0.413 ' CG ' ' O ' ' A' ' 338' ' ' ILE . 17.5 mmm -62.81 -44.2 96.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 111.041 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 343' ' ' ILE . . . . . 0.454 ' CG1' ' HB3' ' A' ' 348' ' ' MET . 59.8 mt -66.86 -37.03 78.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 3.9 m -70.55 -27.45 64.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.385 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -84.51 -9.12 58.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.238 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 90.86 -30.74 5.98 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 347' ' ' ARG . . . . . 0.897 ' O ' HD21 ' A' ' 310' ' ' LEU . 5.8 mtt85 -38.78 -44.75 1.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 0.747 . . . . 0.0 110.26 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 348' ' ' MET . . . . . 0.454 ' HB3' ' CG1' ' A' ' 343' ' ' ILE . 0.8 OUTLIER -103.54 176.08 5.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 111.009 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -143.5 128.41 18.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 136.55 -160.21 24.71 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.445 1.09 . . . . 0.0 111.009 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 351' ' ' PHE . . . . . . . . . . . . . 13.1 p90 -145.98 153.18 40.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 0.763 . . . . 0.0 110.984 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 352' ' ' ILE . . . . . 0.727 HG12 HG12 ' A' ' 359' ' ' VAL . 37.1 mt -95.99 121.12 46.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 353' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 357' ' ' GLY . 55.5 t0 -88.03 113.37 23.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -81.64 -14.15 57.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.33 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 62.0 mt -70.1 -42.66 79.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.26 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -110.39 -14.95 14.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 357' ' ' GLY . . . . . 0.58 ' O ' ' CE2' ' A' ' 321' ' ' PHE . . . 68.13 33.88 79.73 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.502 1.126 . . . . 0.0 111.042 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 358' ' ' ILE . . . . . 0.505 HG23 ' C ' ' A' ' 319' ' ' ILE . 52.6 mt -118.04 143.9 27.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 359' ' ' VAL . . . . . 0.91 HG22 ' O ' ' A' ' 319' ' ' ILE . 18.8 m -82.83 140.24 16.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 360' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -109.49 110.86 22.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.601 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 361' ' ' PHE . . . . . 0.564 ' CD2' ' HA ' ' A' ' 313' ' ' SER . 11.7 m-85 -96.91 151.64 19.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.98 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -79.88 141.46 36.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.293 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 363' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -103.21 144.31 31.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.376 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 364' ' ' ARG . . . . . . . . . . . . . 3.4 mtm180 -66.6 136.2 55.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 365' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -53.58 136.66 38.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.112 . . . . 0.0 110.288 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 366' ' ' ALA . . . . . . . . . . . . . . . -132.4 114.97 14.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 63.59 146.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.999 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 368' ' ' GLY . . . . . . . . . . . . . . . -158.84 -126.67 0.87 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.506 1.129 . . . . 0.0 111.021 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 369' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 60.0 5.34 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.53 1.805 . . . . 0.0 110.984 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 10.7 t 40.67 81.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.983 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 371' ' ' SER . . . . . . . . . . . . . 15.8 p -41.67 -59.54 1.61 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 110.026 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 372' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.488 1.117 . . . . 0.0 111.054 179.953 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 290' ' ' SER . . . . . . . . . . . . . 38.2 t -88.23 100.57 13.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 0.798 . . . . 0.0 110.014 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 291' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -160.87 -58.21 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.979 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 292' ' ' GLY . . . . . . . . . . . . . . . -143.87 -75.53 0.03 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.53 1.143 . . . . 0.0 110.973 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 293' ' ' SER . . . . . . . . . . . . . 5.4 t 61.91 134.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 0.753 . . . . 0.0 110.013 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 294' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.36 80.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.987 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 87.66 -62.73 3.96 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 296' ' ' GLY . . . . . . . . . . . . . . . -42.1 -75.57 0.13 Allowed Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 297' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -39.72 155.48 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 0.765 . . . . 0.0 109.992 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 298' ' ' SER . . . . . . . . . . . . . 3.6 m -116.26 80.1 1.41 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.05 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 299' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -109.34 108.17 24.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 109.296 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.99 101.32 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 301' ' ' ASP . . . . . 0.456 ' HB3' HG23 ' A' ' 304' ' ' VAL . 0.6 OUTLIER -96.73 108.79 21.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 302' ' ' ARG . . . . . 0.408 ' NH1' HG12 ' A' ' 338' ' ' ILE . 0.0 OUTLIER -57.78 -42.25 83.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 110.305 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -60.15 -33.83 72.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 109.263 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 304' ' ' VAL . . . . . 0.456 HG23 ' HB3' ' A' ' 301' ' ' ASP . 41.5 t -71.0 -46.42 67.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 305' ' ' ILE . . . . . 0.594 HG23 HD13 ' A' ' 328' ' ' LEU . 4.7 mt -61.98 -44.69 99.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 306' ' ' GLU . . . . . 0.418 ' HA ' ' SD ' ' A' ' 342' ' ' MET . 8.5 mt-10 -59.67 -47.82 84.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.288 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 36.7 t60 -69.29 -43.25 74.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.558 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 308' ' ' ASN . . . . . 0.478 ' HB3' ' CD2' ' A' ' 328' ' ' LEU . 1.1 m120 -54.56 -38.75 67.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 309' ' ' LEU . . . . . 0.838 HD21 HD21 ' A' ' 324' ' ' LEU . 0.7 OUTLIER -64.06 -50.17 69.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 310' ' ' LEU . . . . . 0.533 HD11 ' O ' ' A' ' 347' ' ' ARG . 0.2 OUTLIER -60.96 -45.3 95.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 311' ' ' SER . . . . . 0.478 ' HA ' ' CE ' ' A' ' 314' ' ' LYS . 0.1 OUTLIER -60.22 -39.31 86.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.007 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -68.45 -21.64 64.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 313' ' ' SER . . . . . 0.409 ' HA ' ' CG ' ' A' ' 361' ' ' PHE . 2.7 t -59.56 -44.87 93.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 109.975 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 314' ' ' LYS . . . . . 0.478 ' CE ' ' HA ' ' A' ' 311' ' ' SER . 0.0 OUTLIER -89.59 -34.55 16.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.267 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 315' ' ' LEU . . . . . 0.413 ' N ' ' HG2' ' A' ' 314' ' ' LYS . 4.1 mt -69.62 -78.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -79.2 121.48 25.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 317' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -62.75 -40.51 97.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -158.71 135.72 9.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 319' ' ' ILE . . . . . 0.427 ' CG1' ' HB2' ' A' ' 323' ' ' GLU . 16.7 tt -146.47 146.87 18.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 320' ' ' THR . . . . . 0.597 HG23 ' H ' ' A' ' 323' ' ' GLU . 8.9 t -87.36 166.04 15.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 110.403 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 321' ' ' PHE . . . . . 0.714 ' CB ' ' HB1' ' A' ' 332' ' ' ALA . 39.4 m-85 -58.28 -38.24 76.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 111.02 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -62.33 -49.21 76.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.295 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 323' ' ' GLU . . . . . 0.597 ' H ' HG23 ' A' ' 320' ' ' THR . 10.9 mm-40 -71.29 -46.01 61.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.101 . . . . 0.0 110.307 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 324' ' ' LEU . . . . . 0.838 HD21 HD21 ' A' ' 309' ' ' LEU . 38.0 tp -57.4 -42.18 81.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 109.26 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 325' ' ' GLY . . . . . 0.493 ' CA ' ' O ' ' A' ' 330' ' ' ILE . . . -67.72 -32.4 78.02 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -71.98 -26.32 62.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 0.769 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 327' ' ' LEU . . . . . 0.564 HD23 HD12 ' A' ' 324' ' ' LEU . 0.7 OUTLIER -75.95 -38.22 57.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.264 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 328' ' ' LEU . . . . . 0.599 ' O ' HG23 ' A' ' 330' ' ' ILE . 0.1 OUTLIER -95.45 3.47 54.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 65.23 9.67 5.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.253 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 330' ' ' ILE . . . . . 0.599 HG23 ' O ' ' A' ' 328' ' ' LEU . 3.3 pt -104.35 164.3 15.54 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 331' ' ' PRO . . . . . 0.476 ' HD2' ' CB ' ' A' ' 334' ' ' LYS . 18.3 Cg_endo -75.04 160.62 39.81 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.519 1.8 . . . . 0.0 110.983 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 332' ' ' ALA . . . . . 0.714 ' HB1' ' CB ' ' A' ' 321' ' ' PHE . . . -58.28 -41.03 83.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.26 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -58.47 -35.21 71.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 334' ' ' LYS . . . . . 0.492 ' CG ' HD12 ' A' ' 330' ' ' ILE . 2.6 tptt -75.37 -48.42 23.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 335' ' ' ALA . . . . . 0.508 ' O ' ' CB ' ' A' ' 339' ' ' ALA . . . -63.66 -30.51 71.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.102 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 336' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 332' ' ' ALA . 8.9 tt0 -71.07 -47.25 59.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 110.276 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 11.9 mtmt -67.27 -45.77 75.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 338' ' ' ILE . . . . . 0.51 HD12 ' CD1' ' A' ' 330' ' ' ILE . 72.8 mt -64.12 -47.03 91.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 339' ' ' ALA . . . . . 0.508 ' CB ' ' O ' ' A' ' 335' ' ' ALA . . . -56.81 -45.33 82.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.58 -43.86 71.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 110.008 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -60.02 -36.45 77.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.3 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 342' ' ' MET . . . . . 0.475 ' HE2' HD21 ' A' ' 310' ' ' LEU . 9.3 mtp -63.07 -49.04 76.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 111.002 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 343' ' ' ILE . . . . . 0.531 HG13 ' HE2' ' A' ' 348' ' ' MET . 75.0 mt -68.15 -36.53 75.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 11.9 m -65.99 -34.31 77.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.38 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -80.47 -3.82 51.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.313 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 75.25 2.12 66.18 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.497 1.123 . . . . 0.0 110.977 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 347' ' ' ARG . . . . . 0.533 ' O ' HD11 ' A' ' 310' ' ' LEU . 60.5 mtt180 -69.94 -27.45 64.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 0.755 . . . . 0.0 110.366 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 348' ' ' MET . . . . . 0.531 ' HE2' HG13 ' A' ' 343' ' ' ILE . 35.4 ttp -122.38 164.66 17.6 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 111.023 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -126.51 132.31 51.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.086 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 136.67 -169.53 23.79 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.462 1.101 . . . . 0.0 110.984 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 351' ' ' PHE . . . . . . . . . . . . . 33.6 p90 -143.99 155.46 44.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 0.754 . . . . 0.0 110.987 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 18.6 mt -98.76 120.92 48.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 353' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -83.27 109.91 17.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.143 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -84.73 -18.33 35.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 18.9 mt -67.65 -40.07 83.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -109.33 -14.98 14.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 357' ' ' GLY . . . . . 0.405 ' O ' ' CE2' ' A' ' 321' ' ' PHE . . . 71.01 26.87 73.13 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.525 1.141 . . . . 0.0 111.019 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 358' ' ' ILE . . . . . . . . . . . . . 76.4 mt -107.68 144.37 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 0.772 . . . . 0.0 109.298 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 359' ' ' VAL . . . . . . . . . . . . . 48.4 t -89.67 118.04 34.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 360' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -87.43 110.91 20.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.537 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 361' ' ' PHE . . . . . 0.439 ' HZ ' HD23 ' A' ' 309' ' ' LEU . 8.3 m-85 -97.96 148.94 22.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 111.047 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -81.81 147.82 29.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 110.316 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 363' ' ' THR . . . . . . . . . . . . . 44.3 p -107.94 137.85 45.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.394 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 364' ' ' ARG . . . . . . . . . . . . . 2.2 mmt180 -139.02 68.94 1.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.333 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 365' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.14 150.94 30.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 110.299 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 366' ' ' ALA . . . . . . . . . . . . . . . -103.45 116.23 32.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 11.6 m 63.83 83.01 0.17 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.04 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 368' ' ' GLY . . . . . . . . . . . . . . . -155.93 155.97 26.7 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.455 1.097 . . . . 0.0 111.017 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 369' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 55.82 4.05 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.532 1.806 . . . . 0.0 111.019 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.71 -62.79 1.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.988 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 371' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 60.66 103.75 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 110.019 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 372' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.515 1.134 . . . . 0.0 110.999 -179.988 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 290' ' ' SER . . . . . . . . . . . . . 3.5 t 54.01 87.44 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 0.775 . . . . 0.0 110.008 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 291' ' ' SER . . . . . . . . . . . . . 79.9 p -148.89 140.06 23.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.125 . . . . 0.0 109.993 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 292' ' ' GLY . . . . . . . . . . . . . . . -68.17 -99.61 0.03 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.554 1.159 . . . . 0.0 110.986 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 293' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 63.61 -85.55 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 0.773 . . . . 0.0 110.01 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 294' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 76.71 88.9 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 110.016 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . -129.13 127.72 5.61 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.513 1.133 . . . . 0.0 110.985 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 296' ' ' GLY . . . . . . . . . . . . . . . 158.87 -97.59 0.16 Allowed Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 297' ' ' SER . . . . . . . . . . . . . 45.3 t -146.18 114.33 6.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 0.763 . . . . 0.0 109.97 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 298' ' ' SER . . . . . . . . . . . . . 3.2 m -147.61 84.31 1.55 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 110.008 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 299' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -124.5 108.15 19.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -40.47 106.14 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.368 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 301' ' ' ASP . . . . . 0.502 ' HB3' HG23 ' A' ' 304' ' ' VAL . 0.4 OUTLIER -92.98 107.63 19.37 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 302' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -62.96 -33.56 75.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.334 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -63.13 -32.88 74.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 304' ' ' VAL . . . . . 0.502 HG23 ' HB3' ' A' ' 301' ' ' ASP . 51.8 t -71.05 -46.46 66.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 305' ' ' ILE . . . . . . . . . . . . . 7.3 mt -61.54 -43.27 96.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -57.83 -49.19 77.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.308 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 28.6 t60 -67.8 -45.96 73.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.643 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 308' ' ' ASN . . . . . 0.474 ' HB2' ' CD2' ' A' ' 328' ' ' LEU . 4.8 m120 -55.3 -39.06 69.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 309' ' ' LEU . . . . . 0.592 HD22 HG22 ' A' ' 338' ' ' ILE . 1.1 tp -62.88 -39.42 94.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 310' ' ' LEU . . . . . 0.433 HD21 ' O ' ' A' ' 347' ' ' ARG . 23.5 mt -73.88 -39.77 63.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 311' ' ' SER . . . . . 0.751 ' O ' HD12 ' A' ' 315' ' ' LEU . 39.6 m -68.02 -44.87 75.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.989 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -64.84 -22.38 66.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 313' ' ' SER . . . . . 0.495 ' HA ' ' CG ' ' A' ' 361' ' ' PHE . 2.6 p -72.94 -41.04 64.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.023 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 314' ' ' LYS . . . . . . . . . . . . . 22.5 mttt -83.47 -12.23 56.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 315' ' ' LEU . . . . . 0.751 HD12 ' O ' ' A' ' 311' ' ' SER . 1.5 mt -97.27 -84.09 0.38 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -69.1 128.36 36.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 110.975 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 317' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -68.77 -39.15 80.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -151.43 135.43 16.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 319' ' ' ILE . . . . . 0.509 HG21 HD13 ' A' ' 324' ' ' LEU . 20.0 tt -146.72 147.3 17.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . 24.4 p -88.86 161.69 16.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.386 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 321' ' ' PHE . . . . . 0.698 ' HB3' ' HB1' ' A' ' 332' ' ' ALA . 33.5 m-85 -55.79 -38.58 70.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 111.033 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -61.77 -49.23 77.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.347 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -71.6 -44.11 65.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.303 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 324' ' ' LEU . . . . . 0.515 ' O ' ' CD1' ' A' ' 328' ' ' LEU . 15.8 tp -57.31 -42.75 82.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 325' ' ' GLY . . . . . 0.486 ' O ' ' N ' ' A' ' 330' ' ' ILE . . . -74.69 -33.0 56.62 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.52 1.138 . . . . 0.0 110.975 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -67.9 -28.57 67.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 0.782 . . . . 0.0 109.328 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.76 -41.97 51.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 328' ' ' LEU . . . . . 0.594 ' O ' HG23 ' A' ' 330' ' ' ILE . 0.1 OUTLIER -88.81 3.65 50.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 65.41 9.29 5.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 330' ' ' ILE . . . . . 0.594 HG23 ' O ' ' A' ' 328' ' ' LEU . 3.8 pt -102.89 163.11 18.21 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 331' ' ' PRO . . . . . 0.429 ' HD2' ' HB ' ' A' ' 330' ' ' ILE . 18.6 Cg_endo -74.98 156.83 43.09 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.464 1.77 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 332' ' ' ALA . . . . . 0.698 ' HB1' ' HB3' ' A' ' 321' ' ' PHE . . . -58.47 -33.23 69.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -63.63 -39.13 93.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 334' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -75.16 -47.82 26.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 335' ' ' ALA . . . . . 0.497 ' O ' ' CB ' ' A' ' 339' ' ' ALA . . . -64.24 -30.71 71.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 336' ' ' GLU . . . . . 0.422 ' CB ' ' O ' ' A' ' 332' ' ' ALA . 7.5 tt0 -70.88 -47.0 61.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 9.3 tppt? -66.66 -45.77 77.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.353 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 338' ' ' ILE . . . . . 0.592 HG22 HD22 ' A' ' 309' ' ' LEU . 90.1 mt -64.64 -47.33 89.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 339' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 335' ' ' ALA . . . -56.81 -42.89 80.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 109.268 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -71.21 -47.51 56.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 110.0 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -59.66 -38.6 81.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 110.287 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 342' ' ' MET . . . . . 0.406 ' HG3' ' CD2' ' A' ' 309' ' ' LEU . 29.0 mmm -62.84 -42.29 99.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 110.993 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 343' ' ' ILE . . . . . 0.495 HG13 ' HE1' ' A' ' 348' ' ' MET . 35.5 mt -67.73 -37.44 78.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 1.4 m -72.17 -27.01 62.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.42 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -83.24 -8.94 59.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.288 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 89.94 -30.02 6.09 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.48 1.112 . . . . 0.0 110.983 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 347' ' ' ARG . . . . . 0.433 ' O ' HD21 ' A' ' 310' ' ' LEU . 16.2 mtt85 -39.27 -52.66 1.98 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 0.782 . . . . 0.0 110.264 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 348' ' ' MET . . . . . 0.495 ' HE1' HG13 ' A' ' 343' ' ' ILE . 1.8 ttp -85.48 174.54 9.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.971 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -145.32 114.38 6.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.579 1.175 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 142.22 -155.03 25.39 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.532 1.145 . . . . 0.0 111.041 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 351' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -146.16 162.85 37.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 0.767 . . . . 0.0 110.996 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 12.0 mt -104.14 114.08 42.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.351 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 353' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 357' ' ' GLY . 64.7 t0 -76.59 110.08 10.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -83.18 -19.11 37.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 110.298 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 13.2 mt -66.86 -41.7 88.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -110.16 -14.48 14.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 357' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 353' ' ' ASP . . . 69.42 33.86 73.27 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.467 1.104 . . . . 0.0 110.977 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 358' ' ' ILE . . . . . . . . . . . . . 12.3 mt -111.54 147.3 15.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.456 0.739 . . . . 0.0 109.312 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 359' ' ' VAL . . . . . . . . . . . . . 62.0 t -88.38 119.55 35.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.312 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 360' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -91.99 110.77 22.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.618 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 361' ' ' PHE . . . . . 0.495 ' CG ' ' HA ' ' A' ' 313' ' ' SER . 12.9 m-85 -97.99 146.05 25.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 362' ' ' GLU . . . . . 0.423 ' OE1' ' HA ' ' A' ' 362' ' ' GLU . 4.6 tp10 -93.53 145.95 24.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 110.288 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 363' ' ' THR . . . . . . . . . . . . . 7.5 p -109.71 133.33 53.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.406 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 364' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -122.47 71.98 1.04 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 110.316 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 365' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -66.83 141.27 57.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.285 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 366' ' ' ALA . . . . . . . . . . . . . . . 43.44 77.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.36 125.76 51.54 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.473 1.108 . . . . 0.0 110.034 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 368' ' ' GLY . . . . . . . . . . . . . . . 140.79 -85.68 0.2 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.544 1.152 . . . . 0.0 110.963 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 369' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -70.13 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.464 1.771 . . . . 0.0 110.989 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 39.6 p -107.72 176.68 5.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.018 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 371' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.98 81.79 1.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 110.017 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 372' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.486 1.116 . . . . 0.0 110.944 180.0 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 290' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 54.13 82.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 0.762 . . . . 0.0 110.017 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 291' ' ' SER . . . . . . . . . . . . . 12.1 p -123.33 133.62 54.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.015 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 292' ' ' GLY . . . . . . . . . . . . . . . 130.85 -152.1 19.81 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.461 1.101 . . . . 0.0 110.972 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 293' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -118.64 167.29 11.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 0.759 . . . . 0.0 110.033 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 294' ' ' SER . . . . . . . . . . . . . 38.1 t -143.98 115.07 7.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.997 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 107.26 -172.16 17.51 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.5 1.125 . . . . 0.0 111.023 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 296' ' ' GLY . . . . . . . . . . . . . . . 173.94 -89.35 0.08 OUTLIER Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 297' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.57 100.41 0.19 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 0.754 . . . . 0.0 110.004 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 298' ' ' SER . . . . . . . . . . . . . 6.4 t -174.63 -177.02 1.11 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 110.001 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 299' ' ' ILE . . . . . 0.665 HG22 ' O ' ' A' ' 299' ' ' ILE . 47.7 mm -111.61 28.54 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 300' ' ' LEU . . . . . 0.591 HD12 HD11 ' A' ' 305' ' ' ILE . 0.1 OUTLIER -148.7 118.65 7.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.337 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 301' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -96.98 107.06 19.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 302' ' ' ARG . . . . . . . . . . . . . 4.0 ttt-85 -69.48 -33.91 73.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.31 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -68.79 -33.35 73.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 304' ' ' VAL . . . . . . . . . . . . . 17.5 t -69.27 -46.18 77.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 305' ' ' ILE . . . . . 0.738 HG23 HD13 ' A' ' 328' ' ' LEU . 13.6 mt -59.82 -39.94 81.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 306' ' ' GLU . . . . . 0.434 ' OE1' ' CD ' ' A' ' 347' ' ' ARG . 2.1 mt-10 -63.49 -45.99 88.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 12.7 t60 -67.91 -45.78 73.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.127 . . . . 0.0 109.585 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 308' ' ' ASN . . . . . 0.5 ' HB3' ' CD2' ' A' ' 328' ' ' LEU . 0.6 OUTLIER -56.18 -43.86 78.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 309' ' ' LEU . . . . . 0.595 HD22 ' SD ' ' A' ' 342' ' ' MET . 0.5 OUTLIER -62.21 -35.59 79.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 310' ' ' LEU . . . . . . . . . . . . . 84.8 mt -73.15 -42.08 63.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.52 1.138 . . . . 0.0 109.338 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.17 -45.15 70.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 110.016 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -62.5 -21.98 65.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 313' ' ' SER . . . . . 0.517 ' HA ' ' CD2' ' A' ' 361' ' ' PHE . 1.4 p -68.59 -43.7 75.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.013 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 314' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.83 -18.94 55.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.34 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 2.0 mt -89.57 -84.78 0.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.258 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -71.61 156.79 39.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 317' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -96.68 -44.06 7.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -144.34 135.47 25.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 319' ' ' ILE . . . . . 0.879 ' O ' HG22 ' A' ' 359' ' ' VAL . 4.9 tt -146.57 144.11 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 320' ' ' THR . . . . . 0.697 HG23 ' H ' ' A' ' 323' ' ' GLU . 6.5 t -85.69 159.68 19.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.41 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 321' ' ' PHE . . . . . 0.869 ' CB ' ' HB1' ' A' ' 332' ' ' ALA . 16.6 m-85 -55.43 -35.82 65.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 111.031 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -64.33 -48.89 73.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.282 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 323' ' ' GLU . . . . . 0.697 ' H ' HG23 ' A' ' 320' ' ' THR . 19.7 mm-40 -69.92 -48.31 59.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.327 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 324' ' ' LEU . . . . . 0.984 ' CD2' HD11 ' A' ' 328' ' ' LEU . 4.8 tt -57.44 -42.27 82.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 325' ' ' GLY . . . . . 0.463 ' O ' ' N ' ' A' ' 330' ' ' ILE . . . -69.8 -32.23 70.33 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.549 1.155 . . . . 0.0 111.0 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -70.99 -26.59 63.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 0.789 . . . . 0.0 109.304 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 327' ' ' LEU . . . . . 0.431 ' O ' HD12 ' A' ' 327' ' ' LEU . 0.4 OUTLIER -75.36 -39.45 59.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.312 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 328' ' ' LEU . . . . . 0.984 HD11 ' CD2' ' A' ' 324' ' ' LEU . 0.2 OUTLIER -93.26 3.24 55.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 65.33 9.75 5.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.34 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 330' ' ' ILE . . . . . 0.594 HG23 ' O ' ' A' ' 328' ' ' LEU . 3.6 pt -103.3 164.6 15.15 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 331' ' ' PRO . . . . . 0.464 ' HD2' ' CB ' ' A' ' 334' ' ' LYS . 18.3 Cg_endo -74.97 158.94 42.02 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.53 1.805 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 332' ' ' ALA . . . . . 0.869 ' HB1' ' CB ' ' A' ' 321' ' ' PHE . . . -58.85 -32.52 69.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -65.65 -36.88 84.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 334' ' ' LYS . . . . . 0.464 ' CB ' ' HD2' ' A' ' 331' ' ' PRO . 0.0 OUTLIER -75.11 -48.34 24.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 335' ' ' ALA . . . . . 0.623 ' HB1' HD22 ' A' ' 324' ' ' LEU . . . -65.77 -34.01 77.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.232 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 336' ' ' GLU . . . . . 0.483 ' CB ' ' O ' ' A' ' 332' ' ' ALA . 5.2 tt0 -71.58 -47.82 52.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 110.334 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.87 -46.11 83.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 109.226 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 338' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 334' ' ' LYS . 55.6 mt -65.06 -47.67 86.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 109.309 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 339' ' ' ALA . . . . . 0.511 ' CB ' ' O ' ' A' ' 335' ' ' ALA . . . -56.22 -44.74 79.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -69.52 -44.99 69.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.981 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -59.74 -36.36 76.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.279 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 342' ' ' MET . . . . . 0.595 ' SD ' HD22 ' A' ' 309' ' ' LEU . 82.9 mtp -65.48 -49.42 69.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 111.035 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 343' ' ' ILE . . . . . . . . . . . . . 31.7 mt -60.17 -39.33 80.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 4.6 m -67.67 -29.06 68.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.391 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -83.09 -9.15 59.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 90.15 -30.47 5.9 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.541 1.151 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 347' ' ' ARG . . . . . 0.434 ' CD ' ' OE1' ' A' ' 306' ' ' GLU . 48.3 mtt-85 -38.7 -48.63 1.5 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 0.787 . . . . 0.0 110.297 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 13.6 ttp -103.02 155.65 18.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 110.988 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -122.76 131.63 53.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.348 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 135.91 -162.12 24.93 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.507 1.13 . . . . 0.0 110.954 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 351' ' ' PHE . . . . . . . . . . . . . 11.0 p90 -146.15 150.06 35.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 0.799 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 352' ' ' ILE . . . . . 0.771 HG12 HG12 ' A' ' 359' ' ' VAL . 5.2 mt -94.32 111.41 25.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.335 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 353' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 357' ' ' GLY . 58.4 t0 -72.01 114.1 9.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -83.86 -17.86 39.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 110.289 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 37.9 mt -69.53 -40.33 79.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -110.52 -15.05 13.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.325 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 357' ' ' GLY . . . . . 0.566 ' O ' ' CE2' ' A' ' 321' ' ' PHE . . . 66.0 34.18 87.68 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.533 1.146 . . . . 0.0 110.968 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 358' ' ' ILE . . . . . 0.449 HG23 ' C ' ' A' ' 319' ' ' ILE . 89.7 mt -116.93 141.79 33.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 0.771 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 359' ' ' VAL . . . . . 0.898 HG21 HD12 ' A' ' 324' ' ' LEU . 29.2 m -83.14 140.18 16.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 360' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -113.18 110.6 20.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.597 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 361' ' ' PHE . . . . . 0.517 ' CD2' ' HA ' ' A' ' 313' ' ' SER . 15.2 m-85 -93.26 147.13 23.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 111.01 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -81.71 149.18 28.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.29 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 363' ' ' THR . . . . . . . . . . . . . 1.7 t -105.76 147.01 29.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.397 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 364' ' ' ARG . . . . . 0.499 ' CD ' ' C ' ' A' ' 364' ' ' ARG . 0.0 OUTLIER -69.3 150.77 47.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.268 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 365' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -79.56 126.94 31.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 110.304 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 366' ' ' ALA . . . . . 0.45 ' HB2' ' NE ' ' A' ' 364' ' ' ARG . . . -146.92 112.9 5.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.84 156.1 26.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.016 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 368' ' ' GLY . . . . . . . . . . . . . . . 168.84 -177.51 42.64 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 369' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -50.35 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.508 1.794 . . . . 0.0 111.012 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 61.7 p -166.29 83.26 0.29 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.022 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 371' ' ' SER . . . . . . . . . . . . . 85.4 p 43.14 88.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.981 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 372' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.517 1.136 . . . . 0.0 110.992 -179.99 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.052 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 290' ' ' SER . . . . . . . . . . . . . 41.0 t -148.64 96.82 2.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 0.775 . . . . 0.0 109.988 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 291' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 59.48 154.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.012 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 292' ' ' GLY . . . . . . . . . . . . . . . 125.38 75.93 0.26 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.468 1.105 . . . . 0.0 111.053 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 293' ' ' SER . . . . . . . . . . . . . 54.9 p -173.26 107.53 0.15 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 0.757 . . . . 0.0 109.957 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 294' ' ' SER . . . . . . . . . . . . . 72.1 p 178.75 128.69 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.99 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 125.79 141.72 5.61 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.527 1.142 . . . . 0.0 110.975 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 296' ' ' GLY . . . . . . . . . . . . . . . -116.01 56.3 0.52 Allowed Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 297' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -175.83 -63.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 0.779 . . . . 0.0 110.0 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 298' ' ' SER . . . . . 0.438 ' C ' ' N ' ' A' ' 300' ' ' LEU . 33.3 p -91.97 -18.24 23.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.986 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 299' ' ' ILE . . . . . 0.746 HG22 ' O ' ' A' ' 299' ' ' ILE . 3.3 mt 40.78 29.23 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 300' ' ' LEU . . . . . 0.438 ' N ' ' C ' ' A' ' 298' ' ' SER . 0.1 OUTLIER -41.04 106.25 0.05 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 301' ' ' ASP . . . . . 0.442 ' HB2' ' CG2' ' A' ' 304' ' ' VAL . 10.3 m-20 -96.18 107.7 20.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.25 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 302' ' ' ARG . . . . . 0.435 ' NH1' ' HB2' ' A' ' 302' ' ' ARG . 0.9 OUTLIER -57.86 -33.32 68.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.311 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -58.7 -34.88 71.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 304' ' ' VAL . . . . . 0.506 HG12 HD21 ' A' ' 308' ' ' ASN . 75.6 t -68.03 -45.98 82.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 305' ' ' ILE . . . . . 0.618 HG21 HD13 ' A' ' 338' ' ' ILE . 1.2 mp -59.76 -38.3 75.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 306' ' ' GLU . . . . . 0.434 ' OE1' ' NH1' ' A' ' 347' ' ' ARG . 22.8 mt-10 -63.27 -50.81 68.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.326 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 52.0 t60 -63.15 -43.57 97.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.609 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 308' ' ' ASN . . . . . 0.506 HD21 HG12 ' A' ' 304' ' ' VAL . 59.5 m-20 -54.61 -39.48 67.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 309' ' ' LEU . . . . . 0.462 ' CD2' ' HA ' ' A' ' 339' ' ' ALA . 1.3 mp -63.82 -50.18 69.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 310' ' ' LEU . . . . . 0.642 HD21 ' CE ' ' A' ' 342' ' ' MET . 0.2 OUTLIER -63.75 -45.09 91.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.1 -36.9 80.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.999 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -70.44 -28.78 65.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 313' ' ' SER . . . . . . . . . . . . . 4.9 p -63.25 -39.23 94.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 110.024 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 314' ' ' LYS . . . . . . . . . . . . . 40.9 mtmt -80.54 -27.82 37.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 109.278 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 1.6 mt -81.17 -86.29 0.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -73.17 154.57 40.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 317' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -92.28 -41.56 10.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -147.4 135.9 21.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.435 1.085 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 319' ' ' ILE . . . . . 0.519 HG23 HD12 ' A' ' 324' ' ' LEU . 4.6 tt -146.44 146.67 18.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 320' ' ' THR . . . . . 0.552 HG22 HG12 ' A' ' 358' ' ' ILE . 82.2 p -86.19 160.16 19.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 110.395 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 321' ' ' PHE . . . . . 0.739 ' CB ' ' HB1' ' A' ' 332' ' ' ALA . 42.0 m-85 -55.85 -39.09 70.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -62.69 -49.22 75.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.298 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -69.45 -46.91 65.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 110.297 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 324' ' ' LEU . . . . . 1.019 ' CD2' HD11 ' A' ' 328' ' ' LEU . 4.2 tt -57.22 -43.65 83.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.288 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 325' ' ' GLY . . . . . 0.491 ' CA ' ' O ' ' A' ' 330' ' ' ILE . . . -67.82 -32.51 77.88 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.503 1.127 . . . . 0.0 111.016 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -72.38 -25.77 61.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 0.767 . . . . 0.0 109.269 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 327' ' ' LEU . . . . . 0.426 ' O ' HD12 ' A' ' 327' ' ' LEU . 0.4 OUTLIER -75.28 -37.9 60.68 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.467 1.105 . . . . 0.0 109.288 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 328' ' ' LEU . . . . . 1.019 HD11 ' CD2' ' A' ' 324' ' ' LEU . 0.1 OUTLIER -95.1 -3.58 47.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.102 . . . . 0.0 109.297 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 75.65 1.16 3.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.298 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 330' ' ' ILE . . . . . 0.491 ' O ' ' CA ' ' A' ' 325' ' ' GLY . 5.5 pt -96.31 163.0 21.72 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 331' ' ' PRO . . . . . 0.465 ' HD2' ' CB ' ' A' ' 334' ' ' LYS . 18.4 Cg_endo -74.92 160.63 40.15 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.48 1.779 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 332' ' ' ALA . . . . . 0.739 ' HB1' ' CB ' ' A' ' 321' ' ' PHE . . . -58.98 -36.39 74.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.273 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -62.32 -36.99 83.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.443 1.089 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 334' ' ' LYS . . . . . 0.465 ' CB ' ' HD2' ' A' ' 331' ' ' PRO . 0.0 OUTLIER -75.17 -47.92 26.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 335' ' ' ALA . . . . . 0.508 ' HB1' HD22 ' A' ' 324' ' ' LEU . . . -64.62 -31.25 72.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 336' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 332' ' ' ALA . 6.6 tt0 -71.13 -47.11 59.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 14.1 mmtt -65.6 -46.07 80.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 338' ' ' ILE . . . . . 0.618 HD13 HG21 ' A' ' 305' ' ' ILE . 90.4 mt -63.86 -47.51 90.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 339' ' ' ALA . . . . . 0.462 ' HA ' ' CD2' ' A' ' 309' ' ' LEU . . . -56.58 -44.71 81.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.54 -42.55 67.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.007 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -59.81 -40.26 87.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.122 . . . . 0.0 110.285 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 342' ' ' MET . . . . . 0.642 ' CE ' HD21 ' A' ' 310' ' ' LEU . 44.1 mmm -62.89 -49.06 76.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 343' ' ' ILE . . . . . 0.581 HD11 ' HE3' ' A' ' 348' ' ' MET . 79.4 mt -68.01 -42.53 85.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 2.3 m -59.59 -29.61 68.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.401 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -90.99 -9.14 47.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.269 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 346' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 347' ' ' ARG . . . 90.18 -26.22 10.61 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.496 1.122 . . . . 0.0 111.006 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 347' ' ' ARG . . . . . 0.434 ' NH1' ' OE1' ' A' ' 306' ' ' GLU . 27.1 mtt180 -38.84 -34.76 0.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 0.742 . . . . 0.0 110.273 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 348' ' ' MET . . . . . 0.581 ' HE3' HD11 ' A' ' 343' ' ' ILE . 43.6 ttp -123.28 145.94 48.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -106.4 132.5 52.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.263 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 137.75 -174.46 21.83 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.51 1.131 . . . . 0.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 351' ' ' PHE . . . . . 0.43 ' CD1' ' C ' ' A' ' 351' ' ' PHE . 11.7 p90 -142.34 152.04 42.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 0.773 . . . . 0.0 110.979 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 352' ' ' ILE . . . . . 0.427 ' O ' ' NE2' ' A' ' 354' ' ' GLN . 35.8 mt -94.31 122.39 45.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 353' ' ' ASP . . . . . . . . . . . . . 54.5 t0 -84.2 110.06 18.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 109.322 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 354' ' ' GLN . . . . . 0.427 ' NE2' ' O ' ' A' ' 352' ' ' ILE . 0.9 OUTLIER -84.0 -19.44 34.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 110.269 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 9.9 mm -65.91 -40.92 88.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 109.333 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -108.68 -15.01 14.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . 69.29 33.99 74.2 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.496 1.123 . . . . 0.0 111.026 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 358' ' ' ILE . . . . . 0.552 HG12 HG22 ' A' ' 320' ' ' THR . 41.7 mt -118.35 148.05 21.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 0.746 . . . . 0.0 109.29 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 359' ' ' VAL . . . . . . . . . . . . . 40.9 t -87.88 140.0 16.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 360' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -112.35 111.06 21.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.544 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 361' ' ' PHE . . . . . 0.625 ' HZ ' HD11 ' A' ' 324' ' ' LEU . 12.8 m-85 -99.45 146.27 26.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -80.03 133.12 36.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 363' ' ' THR . . . . . . . . . . . . . 4.2 p -111.82 146.33 37.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.367 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 364' ' ' ARG . . . . . 0.498 ' CD ' ' N ' ' A' ' 364' ' ' ARG . 0.0 OUTLIER -120.58 81.32 1.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.281 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 365' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -110.79 169.2 8.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 366' ' ' ALA . . . . . . . . . . . . . . . -137.14 140.91 42.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 5.6 t -88.22 -58.0 2.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.127 . . . . 0.0 109.965 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 368' ' ' GLY . . . . . . . . . . . . . . . -49.37 175.04 0.04 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.564 1.165 . . . . 0.0 110.986 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 369' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 80.88 2.35 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.519 1.8 . . . . 0.0 110.959 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 8.5 t 54.97 169.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.02 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 371' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.43 -58.59 1.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.03 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 372' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.478 1.111 . . . . 0.0 111.057 -179.962 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 290' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 61.85 113.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 0.752 . . . . 0.0 110.0 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 291' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.02 152.02 0.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.043 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 292' ' ' GLY . . . . . . . . . . . . . . . -140.49 172.97 23.32 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.478 1.111 . . . . 0.0 111.045 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 293' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -164.8 -57.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 0.733 . . . . 0.0 109.973 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 294' ' ' SER . . . . . . . . . . . . . 69.1 m -152.08 78.93 1.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.019 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . -140.91 -178.11 16.92 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.555 1.159 . . . . 0.0 111.021 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 296' ' ' GLY . . . . . . . . . . . . . . . -133.53 -103.2 0.81 Allowed Glycine 0 CA--C 1.529 0.965 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 297' ' ' SER . . . . . . . . . . . . . 3.5 m -140.49 126.41 19.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 0.739 . . . . 0.0 110.024 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 298' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 171.54 -178.57 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.014 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 299' ' ' ILE . . . . . 0.468 HG22 ' O ' ' A' ' 299' ' ' ILE . 4.5 mm -103.61 26.29 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -40.73 109.37 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 301' ' ' ASP . . . . . 0.556 ' O ' HG12 ' A' ' 304' ' ' VAL . 4.2 m-20 -75.95 107.53 8.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 302' ' ' ARG . . . . . 0.495 ' HA ' HD12 ' A' ' 305' ' ' ILE . 0.0 OUTLIER -66.83 -26.43 66.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.257 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -63.99 -41.46 97.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 304' ' ' VAL . . . . . 0.556 HG12 ' O ' ' A' ' 301' ' ' ASP . 0.3 OUTLIER -59.36 -42.07 86.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 305' ' ' ILE . . . . . 0.552 ' HA ' HD22 ' A' ' 328' ' ' LEU . 12.3 mt -65.56 -41.94 91.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 306' ' ' GLU . . . . . 0.422 ' OE2' ' CD ' ' A' ' 347' ' ' ARG . 38.1 mt-10 -69.74 -40.58 76.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 110.312 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -65.86 -47.12 75.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.105 . . . . 0.0 109.565 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 308' ' ' ASN . . . . . 0.796 ' OD1' HD11 ' A' ' 327' ' ' LEU . 1.4 m-20 -58.91 -40.99 86.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 309' ' ' LEU . . . . . 0.791 HD21 HD21 ' A' ' 324' ' ' LEU . 0.5 OUTLIER -62.67 -47.54 83.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.107 . . . . 0.0 109.287 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 310' ' ' LEU . . . . . 0.632 HD21 ' O ' ' A' ' 347' ' ' ARG . 31.6 mt -67.81 -37.37 81.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 311' ' ' SER . . . . . 0.503 ' O ' HD12 ' A' ' 315' ' ' LEU . 0.5 OUTLIER -66.91 -40.39 87.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.959 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -71.58 -21.71 61.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 313' ' ' SER . . . . . 0.516 ' HA ' ' CG ' ' A' ' 361' ' ' PHE . 4.0 p -63.78 -35.92 82.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 110.013 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 314' ' ' LYS . . . . . 0.417 ' HG2' ' N ' ' A' ' 315' ' ' LEU . 0.0 OUTLIER -96.72 -33.4 11.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.242 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 315' ' ' LEU . . . . . 0.503 HD12 ' O ' ' A' ' 311' ' ' SER . 2.2 mt -73.26 -70.86 0.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -80.97 145.26 31.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 110.998 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 317' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -89.79 -30.02 18.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.564 1.165 . . . . 0.0 109.344 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -159.17 135.94 9.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 319' ' ' ILE . . . . . 0.88 ' O ' HG22 ' A' ' 359' ' ' VAL . 16.4 tt -146.29 147.17 18.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 320' ' ' THR . . . . . 0.555 HG23 ' H ' ' A' ' 323' ' ' GLU . 10.3 t -91.96 170.31 9.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.382 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 321' ' ' PHE . . . . . 0.494 ' HB3' ' HB1' ' A' ' 332' ' ' ALA . 25.1 m-85 -62.94 -32.14 73.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -68.18 -49.36 61.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 110.302 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 323' ' ' GLU . . . . . 0.555 ' H ' HG23 ' A' ' 320' ' ' THR . 67.8 mt-10 -72.26 -42.33 65.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 110.268 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 324' ' ' LEU . . . . . 0.836 HD22 HG21 ' A' ' 359' ' ' VAL . 12.9 tp -57.36 -42.84 82.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 325' ' ' GLY . . . . . 0.496 ' O ' ' N ' ' A' ' 330' ' ' ILE . . . -74.48 -33.16 56.74 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.535 1.147 . . . . 0.0 110.997 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -67.89 -28.52 67.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 0.743 . . . . 0.0 109.313 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 327' ' ' LEU . . . . . 0.796 HD11 ' OD1' ' A' ' 308' ' ' ASN . 0.8 OUTLIER -75.98 -42.03 49.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 328' ' ' LEU . . . . . 0.561 HD23 ' CB ' ' A' ' 308' ' ' ASN . 0.1 OUTLIER -90.27 3.8 52.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 329' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 325' ' ' GLY . 11.6 mt-10 65.83 7.95 4.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.305 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 330' ' ' ILE . . . . . 0.542 HG23 ' O ' ' A' ' 328' ' ' LEU . 4.6 pt -98.89 164.67 16.43 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 331' ' ' PRO . . . . . 0.469 ' HD2' ' HB ' ' A' ' 330' ' ' ILE . 18.4 Cg_endo -74.95 162.66 36.86 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.505 1.792 . . . . 0.0 111.048 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 332' ' ' ALA . . . . . 0.494 ' HB1' ' HB3' ' A' ' 321' ' ' PHE . . . -58.47 -44.41 89.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.58 1.175 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -55.46 -36.39 66.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 334' ' ' LYS . . . . . 0.523 ' HB3' HD12 ' A' ' 330' ' ' ILE . 0.8 OUTLIER -75.11 -47.58 27.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 335' ' ' ALA . . . . . 0.521 ' O ' ' HB2' ' A' ' 339' ' ' ALA . . . -63.33 -30.78 71.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 336' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 332' ' ' ALA . 7.3 tt0 -71.25 -48.4 51.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 110.314 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -70.53 -45.67 65.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 109.33 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 338' ' ' ILE . . . . . 0.515 ' CG1' ' O ' ' A' ' 334' ' ' LYS . 2.1 mm -60.95 -44.88 98.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.35 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 339' ' ' ALA . . . . . 0.521 ' HB2' ' O ' ' A' ' 335' ' ' ALA . . . -57.23 -45.17 84.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.84 -42.13 74.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 109.984 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.85 -36.53 77.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.255 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 342' ' ' MET . . . . . 0.552 ' HE2' ' HB3' ' A' ' 347' ' ' ARG . 4.7 mtp -66.37 -42.57 87.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 111.001 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 343' ' ' ILE . . . . . . . . . . . . . 53.9 mt -67.58 -45.71 84.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 109.267 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 1.9 m -60.17 -33.1 71.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.386 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -79.88 -8.3 59.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.326 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 86.07 -15.62 47.71 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 347' ' ' ARG . . . . . 0.632 ' O ' HD21 ' A' ' 310' ' ' LEU . 62.8 mtt-85 -48.88 -52.63 23.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 0.751 . . . . 0.0 110.31 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 348' ' ' MET . . . . . 0.447 ' HG2' ' N ' ' A' ' 349' ' ' ASN . 11.1 ttm -103.61 144.2 31.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.993 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 349' ' ' ASN . . . . . 0.447 ' N ' ' HG2' ' A' ' 348' ' ' MET . 0.8 OUTLIER -110.04 130.29 55.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 109.297 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 139.63 -157.49 25.21 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.495 1.122 . . . . 0.0 111.025 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 351' ' ' PHE . . . . . . . . . . . . . 19.7 p90 -146.12 154.22 41.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 0.778 . . . . 0.0 110.995 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 352' ' ' ILE . . . . . 0.786 HG12 HG12 ' A' ' 359' ' ' VAL . 9.8 mt -94.22 121.85 45.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 353' ' ' ASP . . . . . 0.436 ' O ' ' CA ' ' A' ' 357' ' ' GLY . 58.8 t0 -82.07 110.02 16.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -85.08 -18.53 34.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 56.7 mt -68.82 -40.49 81.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -110.93 -14.87 13.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 357' ' ' GLY . . . . . 0.436 ' CA ' ' O ' ' A' ' 353' ' ' ASP . . . 70.56 34.02 67.52 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.539 1.149 . . . . 0.0 111.0 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 358' ' ' ILE . . . . . . . . . . . . . 97.0 mt -117.32 142.35 31.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.481 0.753 . . . . 0.0 109.304 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 359' ' ' VAL . . . . . 0.88 HG22 ' O ' ' A' ' 319' ' ' ILE . 29.4 m -86.16 136.17 23.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 360' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -104.55 117.62 34.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.598 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 361' ' ' PHE . . . . . 0.702 ' CE2' HG22 ' A' ' 319' ' ' ILE . 22.9 m-85 -95.01 154.64 17.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 111.03 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 362' ' ' GLU . . . . . 0.4 ' OE2' ' O ' ' A' ' 363' ' ' THR . 17.4 tp10 -111.91 146.38 37.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.275 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 363' ' ' THR . . . . . 0.4 ' O ' ' OE2' ' A' ' 362' ' ' GLU . 1.3 t -85.94 146.14 26.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 110.358 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 364' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.66 129.35 25.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.311 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 365' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.93 74.28 2.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.276 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 366' ' ' ALA . . . . . . . . . . . . . . . -70.59 -60.05 2.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.16 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 1.6 t -160.99 107.77 1.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.96 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 368' ' ' GLY . . . . . . . . . . . . . . . -175.7 -105.44 0.19 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.483 1.115 . . . . 0.0 111.033 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 369' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 67.84 5.86 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.5 1.789 . . . . 0.0 111.005 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.11 136.04 41.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.031 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 371' ' ' SER . . . . . . . . . . . . . 11.2 p -56.14 160.61 2.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.055 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 372' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.52 1.137 . . . . 0.0 111.001 -179.97 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 290' ' ' SER . . . . . . . . . . . . . 87.2 p -170.8 158.54 5.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 0.758 . . . . 0.0 110.018 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 291' ' ' SER . . . . . . . . . . . . . 14.0 m 58.78 168.22 0.06 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.476 1.11 . . . . 0.0 109.998 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 292' ' ' GLY . . . . . . . . . . . . . . . -171.63 157.03 27.1 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.47 1.106 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 293' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.79 151.8 26.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 0.752 . . . . 0.0 110.001 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 294' ' ' SER . . . . . . . . . . . . . 72.0 p -168.61 141.58 2.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.006 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 174.6 -164.44 35.36 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.454 1.096 . . . . 0.0 110.992 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 296' ' ' GLY . . . . . . . . . . . . . . . -176.0 73.01 0.08 OUTLIER Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 297' ' ' SER . . . . . . . . . . . . . 3.6 t -169.78 88.78 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 0.765 . . . . 0.0 109.981 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 298' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 175.15 -175.54 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.994 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 299' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -122.67 27.77 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -150.39 117.79 6.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 301' ' ' ASP . . . . . 0.554 ' O ' HG12 ' A' ' 304' ' ' VAL . 4.9 m-20 -97.0 107.44 19.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 302' ' ' ARG . . . . . 0.656 ' HA ' HD12 ' A' ' 305' ' ' ILE . 0.9 OUTLIER -76.42 -26.91 56.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -64.68 -34.21 77.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 304' ' ' VAL . . . . . 0.554 HG12 ' O ' ' A' ' 301' ' ' ASP . 0.3 OUTLIER -59.38 -42.21 86.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.577 1.173 . . . . 0.0 109.301 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 305' ' ' ILE . . . . . 0.742 HG23 HD13 ' A' ' 328' ' ' LEU . 6.0 mt -65.47 -39.26 84.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -64.02 -42.08 97.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.293 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -70.85 -48.6 53.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.562 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 308' ' ' ASN . . . . . 0.478 ' HB3' ' CD2' ' A' ' 328' ' ' LEU . 1.4 m-80 -56.55 -39.17 72.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 309' ' ' LEU . . . . . 0.65 HD12 HG22 ' A' ' 305' ' ' ILE . 0.6 OUTLIER -62.83 -37.18 85.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 310' ' ' LEU . . . . . 0.507 HD21 ' O ' ' A' ' 347' ' ' ARG . 27.7 mt -74.08 -36.47 64.29 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 311' ' ' SER . . . . . 0.877 ' O ' HD12 ' A' ' 315' ' ' LEU . 0.5 OUTLIER -71.81 -44.8 63.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.008 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -60.82 -29.72 69.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 313' ' ' SER . . . . . 0.568 ' HA ' ' CD1' ' A' ' 361' ' ' PHE . 12.4 t -61.86 -44.84 96.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 0.0 110.044 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 314' ' ' LYS . . . . . . . . . . . . . 9.6 mtmm -101.44 35.13 2.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.157 . . . . 0.0 109.336 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 315' ' ' LEU . . . . . 0.877 HD12 ' O ' ' A' ' 311' ' ' SER . 4.9 mt -142.29 -67.09 0.39 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -86.24 120.26 27.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 317' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -56.72 -40.45 75.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -161.54 136.0 7.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.337 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 319' ' ' ILE . . . . . 0.411 ' CD1' ' HA ' ' A' ' 324' ' ' LEU . 5.3 tt -145.96 141.54 21.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . 66.8 p -84.07 167.43 16.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 110.393 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 321' ' ' PHE . . . . . 0.795 ' CB ' ' HB1' ' A' ' 332' ' ' ALA . 51.6 m-85 -61.66 -32.25 72.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.132 . . . . 0.0 111.018 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -66.44 -49.53 66.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -71.86 -45.9 59.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.337 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 324' ' ' LEU . . . . . 0.967 ' CD2' HD11 ' A' ' 328' ' ' LEU . 4.5 tt -57.14 -42.82 81.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 325' ' ' GLY . . . . . 0.489 ' O ' ' N ' ' A' ' 330' ' ' ILE . . . -71.38 -32.61 64.88 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.514 1.134 . . . . 0.0 111.018 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -69.45 -26.94 64.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 0.775 . . . . 0.0 109.323 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 327' ' ' LEU . . . . . 0.459 ' O ' HD12 ' A' ' 327' ' ' LEU . 0.6 OUTLIER -75.7 -39.91 56.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 328' ' ' LEU . . . . . 0.967 HD11 ' CD2' ' A' ' 324' ' ' LEU . 0.1 OUTLIER -92.31 4.13 53.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 65.41 9.69 5.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.276 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 330' ' ' ILE . . . . . 0.585 HG23 ' O ' ' A' ' 328' ' ' LEU . 3.7 pt -103.71 162.43 20.0 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 331' ' ' PRO . . . . . 0.452 ' HD2' ' CB ' ' A' ' 334' ' ' LYS . 18.1 Cg_endo -75.05 160.27 40.19 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.488 1.783 . . . . 0.0 110.957 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 332' ' ' ALA . . . . . 0.795 ' HB1' ' CB ' ' A' ' 321' ' ' PHE . . . -58.32 -40.93 83.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.327 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -58.44 -35.21 71.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 334' ' ' LYS . . . . . 0.452 ' CB ' ' HD2' ' A' ' 331' ' ' PRO . 9.6 tptt -75.21 -48.17 24.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 335' ' ' ALA . . . . . 0.509 ' O ' ' CB ' ' A' ' 339' ' ' ALA . . . -63.84 -30.67 71.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 336' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 332' ' ' ALA . 11.4 tt0 -70.77 -47.28 60.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.327 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 7.7 mttt -65.13 -45.48 84.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.275 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 338' ' ' ILE . . . . . 0.508 HG22 ' CD1' ' A' ' 309' ' ' LEU . 66.7 mt -66.34 -45.83 88.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 339' ' ' ALA . . . . . 0.509 ' CB ' ' O ' ' A' ' 335' ' ' ALA . . . -56.89 -45.69 82.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.82 -39.87 69.52 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 110.021 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -63.83 -39.51 94.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.153 . . . . 0.0 110.36 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 342' ' ' MET . . . . . 0.403 ' HG3' HD13 ' A' ' 309' ' ' LEU . 34.1 mmm -62.74 -45.57 92.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 343' ' ' ILE . . . . . 0.535 HG13 ' HE2' ' A' ' 348' ' ' MET . 42.9 mt -68.13 -39.13 80.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 3.8 m -68.03 -26.99 66.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 110.419 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -87.5 -9.22 55.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 110.351 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 89.81 -29.29 6.44 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.451 1.094 . . . . 0.0 110.993 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 347' ' ' ARG . . . . . 0.507 ' O ' HD21 ' A' ' 310' ' ' LEU . 69.6 mtt-85 -39.26 -36.08 0.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 0.754 . . . . 0.0 110.258 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 348' ' ' MET . . . . . 0.535 ' HE2' HG13 ' A' ' 343' ' ' ILE . 23.1 ttp -117.5 160.56 21.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -125.66 132.12 52.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 134.08 -164.15 24.5 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.493 1.12 . . . . 0.0 110.993 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 351' ' ' PHE . . . . . . . . . . . . . 19.7 p90 -144.35 160.29 41.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 0.755 . . . . 0.0 110.981 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 352' ' ' ILE . . . . . 0.44 HD11 ' CB ' ' A' ' 339' ' ' ALA . 11.5 mt -104.08 125.56 58.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.11 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 353' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -86.25 109.88 19.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -88.82 -15.14 35.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 10.5 mt -68.92 -40.31 80.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.421 1.075 . . . . 0.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -107.85 -14.5 14.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . 74.03 30.88 60.51 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 358' ' ' ILE . . . . . . . . . . . . . 80.1 mt -113.15 149.1 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 0.751 . . . . 0.0 109.281 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 359' ' ' VAL . . . . . . . . . . . . . 44.3 t -92.6 116.11 33.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 360' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -83.86 111.38 19.16 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.487 1.117 . . . . 0.0 109.595 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 361' ' ' PHE . . . . . 0.568 ' CD1' ' HA ' ' A' ' 313' ' ' SER . 4.4 m-85 -99.81 152.32 20.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -82.54 137.94 34.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 110.298 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 363' ' ' THR . . . . . . . . . . . . . 1.8 t -111.79 147.09 36.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.413 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 364' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.78 136.78 1.88 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.275 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 365' ' ' GLU . . . . . 0.419 ' O ' ' HB3' ' A' ' 366' ' ' ALA . 13.0 mt-10 -45.86 129.01 9.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 110.249 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 366' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 365' ' ' GLU . . . 67.78 120.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 6.8 p -96.54 150.09 21.03 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.515 1.134 . . . . 0.0 109.992 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 368' ' ' GLY . . . . . . . . . . . . . . . 106.97 -146.83 16.11 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 369' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 88.35 1.24 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.513 1.796 . . . . 0.0 111.019 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 28.9 p -87.35 132.45 33.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.022 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 371' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -156.88 155.35 31.29 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.105 . . . . 0.0 109.974 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 372' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.483 1.114 . . . . 0.0 110.991 179.984 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 290' ' ' SER . . . . . . . . . . . . . 1.9 m 39.61 82.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 0.802 . . . . 0.0 110.031 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 291' ' ' SER . . . . . . . . . . . . . 5.0 t -149.19 124.73 10.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.98 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 292' ' ' GLY . . . . . . . . . . . . . . . 163.9 -100.05 0.17 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.541 1.151 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 293' ' ' SER . . . . . . . . . . . . . 2.0 t -107.66 170.84 7.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 0.76 . . . . 0.0 109.977 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 294' ' ' SER . . . . . . . . . . . . . 11.1 t -122.37 135.95 54.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 110.0 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . -48.16 -94.16 0.01 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.475 1.109 . . . . 0.0 111.006 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 296' ' ' GLY . . . . . . . . . . . . . . . 165.96 67.87 0.03 OUTLIER Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 297' ' ' SER . . . . . 0.513 ' HB2' HD11 ' A' ' 299' ' ' ILE . 71.5 m -84.45 152.7 23.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 0.767 . . . . 0.0 110.003 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 298' ' ' SER . . . . . . . . . . . . . 3.4 m -116.18 80.56 1.47 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 109.97 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 299' ' ' ILE . . . . . 0.513 HD11 ' HB2' ' A' ' 297' ' ' SER . 0.2 OUTLIER -108.84 108.14 24.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 300' ' ' LEU . . . . . 0.65 HD12 ' H ' ' A' ' 301' ' ' ASP . 0.4 OUTLIER 42.27 -164.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 301' ' ' ASP . . . . . 0.65 ' H ' HD12 ' A' ' 300' ' ' LEU . 65.9 t0 -58.6 109.9 0.89 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 302' ' ' ARG . . . . . 0.607 ' HA ' HD12 ' A' ' 305' ' ' ILE . 2.4 tpt180 -74.37 -26.42 60.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.341 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -69.83 -37.49 76.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 304' ' ' VAL . . . . . 0.545 HG12 ' O ' ' A' ' 301' ' ' ASP . 0.3 OUTLIER -59.37 -42.48 87.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 305' ' ' ILE . . . . . 0.607 HD12 ' HA ' ' A' ' 302' ' ' ARG . 5.4 mt -64.81 -41.47 92.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.367 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -66.31 -42.26 88.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 110.316 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -71.13 -46.23 62.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.642 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 308' ' ' ASN . . . . . 0.473 ' HB3' ' CD2' ' A' ' 328' ' ' LEU . 7.1 m-80 -56.37 -32.92 65.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 309' ' ' LEU . . . . . 0.716 HD13 HG22 ' A' ' 338' ' ' ILE . 1.9 mt -69.09 -34.24 74.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 310' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 310' ' ' LEU . 14.1 mt -74.26 -42.1 60.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 311' ' ' SER . . . . . 0.51 ' C ' HD12 ' A' ' 315' ' ' LEU . 0.6 OUTLIER -73.83 -44.42 55.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.044 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 312' ' ' ALA . . . . . 0.424 ' CB ' ' O ' ' A' ' 308' ' ' ASN . . . -59.99 -22.84 63.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 313' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 362' ' ' GLU . 0.9 OUTLIER -69.66 -45.08 69.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 110.034 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 314' ' ' LYS . . . . . . . . . . . . . 7.4 mtmp? -101.13 35.56 2.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 315' ' ' LEU . . . . . 0.51 HD12 ' C ' ' A' ' 311' ' ' SER . 7.4 mt -133.5 -70.23 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -84.13 135.22 34.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 111.006 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 317' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -61.24 -45.02 96.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -163.3 135.99 5.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 319' ' ' ILE . . . . . . . . . . . . . 16.6 tt -146.17 143.98 20.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 320' ' ' THR . . . . . 0.521 HG23 ' H ' ' A' ' 323' ' ' GLU . 10.9 t -83.62 166.98 17.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.433 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 321' ' ' PHE . . . . . 0.776 ' CB ' ' HB1' ' A' ' 332' ' ' ALA . 39.3 m-85 -60.05 -39.13 84.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.992 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -59.67 -50.08 75.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 110.296 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 323' ' ' GLU . . . . . 0.521 ' H ' HG23 ' A' ' 320' ' ' THR . 27.5 mm-40 -72.99 -47.56 44.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 110.289 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 324' ' ' LEU . . . . . 0.708 HD13 HD11 ' A' ' 328' ' ' LEU . 1.1 tm? -56.94 -44.41 82.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.332 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 325' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 330' ' ' ILE . . . -69.84 -32.92 70.3 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -66.95 -29.29 69.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 0.77 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.27 -39.36 59.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 328' ' ' LEU . . . . . 0.708 HD11 HD13 ' A' ' 324' ' ' LEU . 0.2 OUTLIER -87.81 3.16 49.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 65.48 12.13 7.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 330' ' ' ILE . . . . . 0.624 HG23 ' O ' ' A' ' 328' ' ' LEU . 2.9 pt -109.75 162.27 20.95 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 331' ' ' PRO . . . . . 0.455 ' HD2' ' CB ' ' A' ' 334' ' ' LYS . 18.5 Cg_endo -74.95 160.74 39.92 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.487 1.783 . . . . 0.0 111.021 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 332' ' ' ALA . . . . . 0.776 ' HB1' ' CB ' ' A' ' 321' ' ' PHE . . . -59.27 -35.86 74.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -62.73 -37.84 88.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 334' ' ' LYS . . . . . 0.455 ' CB ' ' HD2' ' A' ' 331' ' ' PRO . 0.1 OUTLIER -74.18 -47.78 33.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 335' ' ' ALA . . . . . 0.504 ' O ' ' CB ' ' A' ' 339' ' ' ALA . . . -64.36 -31.12 72.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 336' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 332' ' ' ALA . 11.0 tt0 -69.68 -47.27 63.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.309 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 29.4 mmtt -66.56 -45.68 78.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 109.351 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 338' ' ' ILE . . . . . 0.716 HG22 HD13 ' A' ' 309' ' ' LEU . 67.8 mt -65.16 -46.38 91.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 339' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 335' ' ' ALA . . . -56.82 -44.78 82.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.18 -43.26 67.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.009 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.99 -40.82 90.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 110.307 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 342' ' ' MET . . . . . . . . . . . . . 1.9 mmm -62.9 -48.24 79.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.973 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 343' ' ' ILE . . . . . 0.426 HG13 ' CE ' ' A' ' 348' ' ' MET . 34.7 mt -64.56 -39.71 86.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 2.9 m -70.24 -27.42 64.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.391 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -83.79 -8.94 59.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.264 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 89.8 -29.53 6.3 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.532 1.145 . . . . 0.0 110.999 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 347' ' ' ARG . . . . . . . . . . . . . 72.1 mtt-85 -39.08 -50.95 1.87 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 0.751 . . . . 0.0 110.343 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 348' ' ' MET . . . . . 0.426 ' CE ' HG13 ' A' ' 343' ' ' ILE . 9.6 ttp -98.61 172.51 7.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.537 1.148 . . . . 0.0 110.964 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -137.91 131.87 31.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 133.87 -162.84 24.51 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.511 1.132 . . . . 0.0 110.996 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 351' ' ' PHE . . . . . . . . . . . . . 12.0 p90 -145.28 159.46 42.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 0.771 . . . . 0.0 111.029 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 12.5 mt -102.86 133.47 46.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 353' ' ' ASP . . . . . 0.427 ' HB2' ' CD2' ' A' ' 360' ' ' HIS . 66.1 t0 -95.91 109.76 22.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -85.62 -17.65 35.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.314 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 25.8 mt -66.58 -42.96 90.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -106.03 -11.76 16.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 109.354 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 357' ' ' GLY . . . . . 0.428 ' O ' ' CE2' ' A' ' 321' ' ' PHE . . . 69.09 34.0 75.26 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.513 1.133 . . . . 0.0 110.973 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 358' ' ' ILE . . . . . . . . . . . . . 61.1 mt -116.24 146.05 21.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.484 0.755 . . . . 0.0 109.318 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 359' ' ' VAL . . . . . 0.638 ' CG2' ' CE1' ' A' ' 321' ' ' PHE . 48.7 t -94.15 114.22 30.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 360' ' ' HIS . . . . . 0.427 ' CD2' ' HB2' ' A' ' 353' ' ' ASP . 25.6 m-70 -84.41 110.83 18.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.622 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 361' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -100.51 146.93 26.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 110.987 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 362' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 313' ' ' SER . 4.3 pt-20 -80.21 147.82 31.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.326 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 363' ' ' THR . . . . . . . . . . . . . 4.0 t -100.81 147.57 25.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.433 1.083 . . . . 0.0 110.416 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 364' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.05 158.4 11.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 110.247 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 365' ' ' GLU . . . . . 0.5 ' O ' ' HB3' ' A' ' 366' ' ' ALA . 15.3 mt-10 -119.15 88.67 2.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.347 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 366' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 365' ' ' GLU . . . 71.87 75.77 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -144.57 165.09 28.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 110.002 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 368' ' ' GLY . . . . . . . . . . . . . . . -101.33 155.97 19.03 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.505 1.128 . . . . 0.0 110.975 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 369' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 161.97 37.62 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.458 1.768 . . . . 0.0 110.982 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 74.2 m -168.93 95.78 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.988 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 371' ' ' SER . . . . . . . . . . . . . 2.4 t 53.88 98.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.951 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 372' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.481 1.113 . . . . 0.0 111.018 179.968 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 302' ' ' ARG . . . . . 0.583 ' HA ' HD12 ' A' ' 305' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -65.69 -36.46 83.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.247 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 304' ' ' VAL . . . . . . . . . . . . . 70.4 t -63.12 -46.23 96.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.334 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 305' ' ' ILE . . . . . 0.583 HD12 ' HA ' ' A' ' 302' ' ' ARG . 5.3 mt -60.18 -44.65 95.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -57.79 -48.41 79.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.361 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 25.8 t60 -69.66 -45.4 68.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.614 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 308' ' ' ASN . . . . . 0.507 ' CB ' ' CD2' ' A' ' 328' ' ' LEU . 6.9 m-20 -54.94 -39.01 68.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 309' ' ' LEU . . . . . 0.493 HD21 ' HA ' ' A' ' 339' ' ' ALA . 1.3 tp -62.83 -40.02 96.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.419 1.075 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 310' ' ' LEU . . . . . 0.56 HD21 ' O ' ' A' ' 347' ' ' ARG . 18.9 mt -74.15 -37.7 63.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 311' ' ' SER . . . . . 0.434 ' C ' HD12 ' A' ' 315' ' ' LEU . 0.3 OUTLIER -65.05 -45.1 86.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.995 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -66.26 -35.54 80.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 313' ' ' SER . . . . . 0.405 ' HA ' ' CG ' ' A' ' 361' ' ' PHE . 25.8 p -62.67 -25.25 68.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.568 1.168 . . . . 0.0 110.046 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 314' ' ' LYS . . . . . . . . . . . . . 35.6 mtmt -100.17 -13.11 19.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 315' ' ' LEU . . . . . 0.434 HD12 ' C ' ' A' ' 311' ' ' SER . 7.4 mt -101.56 -82.19 0.47 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -70.25 118.25 12.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.973 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 317' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.1 -41.4 78.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.35 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -152.92 135.85 15.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.272 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 319' ' ' ILE . . . . . 0.587 HG21 HD13 ' A' ' 324' ' ' LEU . 20.2 tt -146.23 147.06 18.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.275 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 320' ' ' THR . . . . . 0.784 HG22 HG12 ' A' ' 358' ' ' ILE . 70.6 p -85.12 163.26 18.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 110.424 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 321' ' ' PHE . . . . . 0.675 ' CB ' ' HB1' ' A' ' 332' ' ' ALA . 48.1 m-85 -58.93 -36.36 74.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -62.42 -49.21 76.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 110.306 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 323' ' ' GLU . . . . . 0.417 ' HB3' HD11 ' A' ' 319' ' ' ILE . 12.8 mm-40 -72.23 -44.73 62.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.163 . . . . 0.0 110.327 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 324' ' ' LEU . . . . . 0.587 HD13 HG21 ' A' ' 319' ' ' ILE . 21.3 tp -57.3 -41.96 80.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 325' ' ' GLY . . . . . 0.468 ' O ' ' N ' ' A' ' 330' ' ' ILE . . . -69.82 -32.3 70.28 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -70.11 -28.19 65.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 0.754 . . . . 0.0 109.266 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 327' ' ' LEU . . . . . 0.47 HD12 ' O ' ' A' ' 327' ' ' LEU . 0.4 OUTLIER -75.57 -39.9 57.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 328' ' ' LEU . . . . . 0.617 ' O ' HG23 ' A' ' 330' ' ' ILE . 0.1 OUTLIER -92.1 2.54 56.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.079 . . . . 0.0 109.329 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 64.99 10.1 5.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.328 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 330' ' ' ILE . . . . . 0.617 HG23 ' O ' ' A' ' 328' ' ' LEU . 2.9 pt -104.19 164.22 15.74 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 331' ' ' PRO . . . . . 0.444 ' HD2' ' HB ' ' A' ' 330' ' ' ILE . 18.4 Cg_endo -74.98 157.89 42.59 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.511 1.795 . . . . 0.0 111.034 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 332' ' ' ALA . . . . . 0.675 ' HB1' ' CB ' ' A' ' 321' ' ' PHE . . . -58.72 -32.8 69.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -63.24 -42.99 99.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 334' ' ' LYS . . . . . 0.49 ' O ' ' CG1' ' A' ' 338' ' ' ILE . 8.3 tttt -72.03 -47.4 52.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 335' ' ' ALA . . . . . . . . . . . . . . . -63.83 -31.01 72.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 332' ' ' ALA . 9.0 tt0 -71.05 -47.43 58.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.286 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 3.5 mmtp -69.35 -45.27 69.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 338' ' ' ILE . . . . . 0.49 ' CG1' ' O ' ' A' ' 334' ' ' LYS . 2.0 mm -60.46 -47.68 91.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 109.285 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 339' ' ' ALA . . . . . 0.493 ' HA ' HD21 ' A' ' 309' ' ' LEU . . . -58.06 -45.17 87.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.35 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.74 -42.28 82.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.009 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -63.11 -37.6 87.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.297 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 342' ' ' MET . . . . . 0.483 ' HG3' HD23 ' A' ' 309' ' ' LEU . 37.5 mmm -63.49 -41.63 98.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.996 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 343' ' ' ILE . . . . . . . . . . . . . 29.7 mt -65.19 -42.61 94.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 2.9 m -67.78 -32.64 73.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 110.394 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -79.89 -6.05 56.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 110.297 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 81.92 -7.6 62.45 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.536 1.148 . . . . 0.0 111.007 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 347' ' ' ARG . . . . . 0.56 ' O ' HD21 ' A' ' 310' ' ' LEU . 10.3 mtp180 -56.26 -45.17 80.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 0.776 . . . . 0.0 110.316 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 348' ' ' MET . . . . . 0.433 ' HG2' ' N ' ' A' ' 349' ' ' ASN . 13.3 ttm -112.55 142.59 44.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 111.038 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 349' ' ' ASN . . . . . 0.433 ' N ' ' HG2' ' A' ' 348' ' ' MET . 0.7 OUTLIER -106.29 131.03 54.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 134.72 -156.66 22.59 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 351' ' ' PHE . . . . . . . . . . . . . 36.4 p90 -146.03 164.98 30.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 0.754 . . . . 0.0 111.009 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 13.2 mt -104.18 127.85 58.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 0.0 109.345 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 353' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -89.88 109.99 20.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -88.24 -14.36 38.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.312 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 10.0 mt -70.31 -42.36 78.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.329 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -107.39 -13.12 15.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 357' ' ' GLY . . . . . 0.417 ' O ' ' CE2' ' A' ' 321' ' ' PHE . . . 71.3 30.23 67.4 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.527 1.142 . . . . 0.0 110.963 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 358' ' ' ILE . . . . . 0.784 HG12 HG22 ' A' ' 320' ' ' THR . 48.3 mt -112.89 146.57 17.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.55 0.794 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 359' ' ' VAL . . . . . . . . . . . . . 50.0 t -90.5 119.72 38.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 360' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -87.43 110.85 20.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.593 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 361' ' ' PHE . . . . . 0.405 ' CG ' ' HA ' ' A' ' 313' ' ' SER . 12.3 m-85 -101.44 152.25 20.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.959 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 110.3 179.968 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 302' ' ' ARG . . . . . 0.47 ' HD2' ' CD1' ' A' ' 338' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -67.85 -36.31 80.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 304' ' ' VAL . . . . . . . . . . . . . 70.1 t -69.39 -46.37 76.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 305' ' ' ILE . . . . . 0.524 HG22 HG21 ' A' ' 338' ' ' ILE . 10.3 mt -60.45 -38.85 79.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -57.65 -48.62 78.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.318 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 21.2 t60 -70.87 -42.98 69.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.551 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 308' ' ' ASN . . . . . 0.488 ' CB ' HD23 ' A' ' 328' ' ' LEU . 9.0 m-20 -57.96 -38.99 77.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 309' ' ' LEU . . . . . 0.471 ' CD2' ' HA ' ' A' ' 339' ' ' ALA . 1.3 mp -62.76 -39.34 93.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 310' ' ' LEU . . . . . . . . . . . . . 23.5 mt -72.3 -41.47 66.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 311' ' ' SER . . . . . 0.572 ' O ' HD12 ' A' ' 315' ' ' LEU . 16.5 m -63.49 -45.06 92.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.975 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -69.37 -39.49 78.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 313' ' ' SER . . . . . 0.458 ' HA ' ' CG ' ' A' ' 361' ' ' PHE . 17.1 t -61.14 -26.56 67.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.985 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 314' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -94.91 -17.67 21.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 315' ' ' LEU . . . . . 0.572 HD12 ' O ' ' A' ' 311' ' ' SER . 6.5 mt -93.34 -87.85 0.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -59.15 153.85 17.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 110.978 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 317' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -85.79 -44.33 12.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.274 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -154.25 136.77 15.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 319' ' ' ILE . . . . . . . . . . . . . 18.1 tt -146.26 142.0 21.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 320' ' ' THR . . . . . 0.436 HG22 HG12 ' A' ' 358' ' ' ILE . 1.6 p -79.12 162.74 25.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.409 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 321' ' ' PHE . . . . . 0.743 ' HB3' ' HB1' ' A' ' 332' ' ' ALA . 71.7 m-85 -56.47 -39.01 72.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 111.003 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -61.16 -49.18 78.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.566 1.166 . . . . 0.0 110.308 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -72.01 -44.08 64.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.317 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 324' ' ' LEU . . . . . 0.567 ' O ' HD12 ' A' ' 328' ' ' LEU . 23.9 tp -57.32 -42.47 81.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 325' ' ' GLY . . . . . 0.469 ' O ' ' N ' ' A' ' 330' ' ' ILE . . . -74.1 -32.74 58.13 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.483 1.115 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -66.93 -29.1 68.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 0.773 . . . . 0.0 109.333 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 327' ' ' LEU . . . . . 0.487 HD12 ' O ' ' A' ' 327' ' ' LEU . 0.3 OUTLIER -75.72 -41.94 52.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.157 . . . . 0.0 109.261 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 328' ' ' LEU . . . . . 0.625 ' O ' HG23 ' A' ' 330' ' ' ILE . 0.1 OUTLIER -87.59 3.68 46.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.153 . . . . 0.0 109.293 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 64.9 10.02 5.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.288 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 330' ' ' ILE . . . . . 0.625 HG23 ' O ' ' A' ' 328' ' ' LEU . 2.6 pt -105.46 162.72 18.88 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 331' ' ' PRO . . . . . 0.478 ' HD2' ' CB ' ' A' ' 334' ' ' LYS . 18.3 Cg_endo -75.03 159.66 40.99 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.492 1.785 . . . . 0.0 110.999 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 332' ' ' ALA . . . . . 0.743 ' HB1' ' HB3' ' A' ' 321' ' ' PHE . . . -58.32 -36.94 74.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -61.83 -35.93 79.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 334' ' ' LYS . . . . . 0.478 ' CB ' ' HD2' ' A' ' 331' ' ' PRO . 0.0 OUTLIER -75.19 -47.97 25.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 335' ' ' ALA . . . . . 0.5 ' O ' ' CB ' ' A' ' 339' ' ' ALA . . . -64.33 -30.76 71.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -71.12 -47.11 59.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.341 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 28.5 tptt -66.3 -45.88 78.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 338' ' ' ILE . . . . . 0.524 HG21 HG22 ' A' ' 305' ' ' ILE . 90.1 mt -64.65 -47.3 89.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 339' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 335' ' ' ALA . . . -56.31 -43.79 79.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.78 -44.87 65.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 110.001 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.9 -35.64 75.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.328 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 342' ' ' MET . . . . . . . . . . . . . 9.2 mtp -62.61 -50.04 72.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 343' ' ' ILE . . . . . . . . . . . . . 35.7 mt -67.82 -37.49 78.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 1.8 m -62.19 -40.0 94.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.407 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -81.21 -7.26 59.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 110.337 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 84.85 -11.87 58.7 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.544 1.153 . . . . 0.0 110.958 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 347' ' ' ARG . . . . . . . . . . . . . 14.7 mtt-85 -48.19 -48.8 34.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 0.753 . . . . 0.0 110.276 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 39.7 ttp -106.25 152.43 23.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 111.014 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -110.1 133.5 53.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 130.73 -165.84 22.72 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.528 1.142 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 351' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -146.19 158.15 43.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 0.741 . . . . 0.0 110.979 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 28.1 mt -97.83 126.4 50.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 353' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -89.53 109.91 20.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -84.72 -20.39 31.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.446 1.091 . . . . 0.0 110.299 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 34.6 mt -66.85 -40.77 86.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.27 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -106.57 -14.74 14.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . 68.35 33.37 77.4 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.462 1.101 . . . . 0.0 111.016 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 358' ' ' ILE . . . . . 0.436 HG12 HG22 ' A' ' 320' ' ' THR . 58.9 mt -116.85 144.38 24.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.547 0.792 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 359' ' ' VAL . . . . . . . . . . . . . 69.0 t -90.09 122.48 41.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.33 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 360' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -93.86 111.02 22.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.572 1.17 . . . . 0.0 109.558 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 361' ' ' PHE . . . . . 0.458 ' CG ' ' HA ' ' A' ' 313' ' ' SER . 12.2 m-85 -99.66 156.46 17.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 0.0 110.319 179.975 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 302' ' ' ARG . . . . . . . . . . . . . 5.9 tpp85 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.35 -0.241 . . . . 0.0 110.35 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -68.84 -32.0 71.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.252 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 304' ' ' VAL . . . . . . . . . . . . . 50.3 t -71.91 -46.42 60.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 109.344 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 305' ' ' ILE . . . . . 0.817 HG23 HD13 ' A' ' 328' ' ' LEU . 4.7 mt -60.05 -43.09 91.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 306' ' ' GLU . . . . . 0.457 ' O ' ' HE3' ' A' ' 342' ' ' MET . 0.9 OUTLIER -61.95 -44.48 96.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 110.323 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 26.8 t60 -69.02 -48.77 62.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.622 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 308' ' ' ASN . . . . . 0.473 ' HB3' ' CD2' ' A' ' 328' ' ' LEU . 1.2 m-80 -54.83 -38.49 67.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 309' ' ' LEU . . . . . 0.704 HD13 HG22 ' A' ' 338' ' ' ILE . 0.9 OUTLIER -62.76 -38.63 91.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 310' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 310' ' ' LEU . 22.3 mt -73.35 -38.16 65.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 311' ' ' SER . . . . . 0.837 ' O ' HD12 ' A' ' 315' ' ' LEU . 0.8 OUTLIER -68.37 -45.06 73.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.054 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -65.91 -24.43 66.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 313' ' ' SER . . . . . 0.484 ' HA ' ' CG ' ' A' ' 361' ' ' PHE . 11.7 t -67.77 -43.03 80.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.034 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 314' ' ' LYS . . . . . . . . . . . . . 28.1 mtmt -101.92 35.23 2.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.26 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 315' ' ' LEU . . . . . 0.837 HD12 ' O ' ' A' ' 311' ' ' SER . 6.3 mt -137.29 -69.42 0.46 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.12 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -79.61 154.34 28.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.15 . . . . 0.0 110.985 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 317' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -82.52 -38.82 23.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.247 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -166.42 135.71 3.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 319' ' ' ILE . . . . . 0.496 HD11 ' N ' ' A' ' 324' ' ' LEU . 1.4 tt -146.55 143.24 20.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 320' ' ' THR . . . . . 0.565 HG23 ' H ' ' A' ' 323' ' ' GLU . 5.4 t -86.31 168.98 13.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 110.418 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 321' ' ' PHE . . . . . 0.879 ' CB ' ' HB1' ' A' ' 332' ' ' ALA . 29.8 m-85 -61.31 -39.12 89.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 111.027 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -59.4 -49.05 79.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.317 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 323' ' ' GLU . . . . . 0.565 ' H ' HG23 ' A' ' 320' ' ' THR . 71.6 mm-40 -70.94 -48.19 54.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.309 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 324' ' ' LEU . . . . . 0.949 ' CD2' HD11 ' A' ' 328' ' ' LEU . 4.1 tt -57.21 -42.51 81.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 325' ' ' GLY . . . . . 0.485 ' O ' ' N ' ' A' ' 330' ' ' ILE . . . -68.37 -32.32 75.45 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.514 1.134 . . . . 0.0 110.976 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -71.34 -26.19 62.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 0.792 . . . . 0.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 327' ' ' LEU . . . . . 0.453 HD12 ' O ' ' A' ' 327' ' ' LEU . 0.6 OUTLIER -75.62 -38.59 58.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 328' ' ' LEU . . . . . 0.949 HD11 ' CD2' ' A' ' 324' ' ' LEU . 0.1 OUTLIER -95.09 3.92 54.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 65.55 9.05 5.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 110.293 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 330' ' ' ILE . . . . . 0.594 HG23 ' O ' ' A' ' 328' ' ' LEU . 3.8 pt -102.97 163.41 17.59 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 109.352 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 331' ' ' PRO . . . . . 0.48 ' HD2' ' CB ' ' A' ' 334' ' ' LYS . 18.3 Cg_endo -75.02 160.08 40.51 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.485 1.782 . . . . 0.0 110.954 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 332' ' ' ALA . . . . . 0.879 ' HB1' ' CB ' ' A' ' 321' ' ' PHE . . . -58.45 -37.79 76.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.265 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -61.12 -35.57 77.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.335 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 334' ' ' LYS . . . . . 0.48 ' CB ' ' HD2' ' A' ' 331' ' ' PRO . 0.0 OUTLIER -75.47 -47.93 24.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 335' ' ' ALA . . . . . 0.532 ' HB1' HD22 ' A' ' 324' ' ' LEU . . . -64.44 -32.36 73.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 332' ' ' ALA . 5.0 tt0 -70.57 -47.1 61.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.304 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 6.2 mmtm -61.84 -45.52 93.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.361 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 338' ' ' ILE . . . . . 0.704 HG22 HD13 ' A' ' 309' ' ' LEU . 58.2 mt -69.51 -43.48 80.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 339' ' ' ALA . . . . . 0.512 ' HB2' ' O ' ' A' ' 335' ' ' ALA . . . -57.26 -43.64 83.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.28 -43.42 70.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 110.013 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.47 -38.15 80.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.264 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 342' ' ' MET . . . . . 0.457 ' HE3' ' O ' ' A' ' 306' ' ' GLU . 0.0 OUTLIER -63.21 -43.1 99.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 111.0 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 343' ' ' ILE . . . . . . . . . . . . . 51.7 mt -68.25 -41.96 84.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 1.2 m -70.47 -29.18 65.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.416 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -79.89 -9.41 59.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.336 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 83.98 -12.76 52.42 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.499 1.125 . . . . 0.0 111.035 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 347' ' ' ARG . . . . . . . . . . . . . 36.3 mtt-85 -54.69 -44.52 73.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 0.776 . . . . 0.0 110.299 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 348' ' ' MET . . . . . 0.457 ' HG2' ' N ' ' A' ' 349' ' ' ASN . 6.2 ttm -112.92 144.07 43.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 111.025 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 349' ' ' ASN . . . . . 0.457 ' N ' ' HG2' ' A' ' 348' ' ' MET . 0.6 OUTLIER -108.59 129.43 55.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 142.34 -161.33 27.31 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.484 1.115 . . . . 0.0 111.006 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 351' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -146.13 162.6 37.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 0.735 . . . . 0.0 111.025 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 12.0 mt -104.05 121.08 55.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 353' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -84.51 109.88 18.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.29 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -86.03 -15.04 42.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.298 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 10.7 mm -69.47 -40.81 80.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.33 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -108.93 -15.01 14.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . 71.71 31.1 65.38 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.523 1.139 . . . . 0.0 110.998 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 358' ' ' ILE . . . . . . . . . . . . . 64.6 mt -114.46 140.6 34.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.47 0.747 . . . . 0.0 109.35 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 359' ' ' VAL . . . . . . . . . . . . . 69.3 t -83.31 121.23 35.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.336 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 360' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -88.79 110.94 21.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.612 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 361' ' ' PHE . . . . . 0.484 ' CG ' ' HA ' ' A' ' 313' ' ' SER . 10.1 m-85 -101.63 151.39 22.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.299 -179.969 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 302' ' ' ARG . . . . . . . . . . . . . 9.6 tpp85 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -58.87 -34.23 71.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 109.294 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 304' ' ' VAL . . . . . . . . . . . . . 30.1 t -72.01 -42.52 68.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 305' ' ' ILE . . . . . 0.573 HG21 ' CD1' ' A' ' 338' ' ' ILE . 1.7 mp -66.36 -40.05 85.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.252 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -66.54 -50.48 63.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.288 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 65.0 t60 -59.4 -48.36 81.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.661 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 308' ' ' ASN . . . . . 0.73 HD22 HD23 ' A' ' 328' ' ' LEU . 26.4 m-20 -54.83 -38.54 67.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.276 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 309' ' ' LEU . . . . . 0.735 HD22 HG22 ' A' ' 338' ' ' ILE . 1.5 tp -62.92 -39.66 95.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 109.345 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 310' ' ' LEU . . . . . 0.555 HD21 ' O ' ' A' ' 347' ' ' ARG . 22.1 mt -74.09 -42.13 60.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 29.2 m -66.19 -40.98 90.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.014 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -64.24 -26.46 68.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 313' ' ' SER . . . . . 0.53 ' HA ' ' CG ' ' A' ' 361' ' ' PHE . 19.1 t -63.74 -31.2 72.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.028 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 314' ' ' LYS . . . . . . . . . . . . . 5.7 mtmt -107.03 36.6 2.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 12.2 mt -139.65 -63.17 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -100.16 136.86 39.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 317' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -71.76 -39.09 70.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -151.33 135.52 16.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 319' ' ' ILE . . . . . 0.922 ' O ' HG22 ' A' ' 359' ' ' VAL . 18.4 tt -146.49 147.16 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.337 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 320' ' ' THR . . . . . 0.487 HG23 ' H ' ' A' ' 323' ' ' GLU . 15.2 t -91.57 161.87 14.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.416 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 321' ' ' PHE . . . . . 0.62 ' HB2' ' HB1' ' A' ' 332' ' ' ALA . 22.3 m-85 -57.61 -35.11 70.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.995 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -62.78 -49.2 75.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 323' ' ' GLU . . . . . 0.487 ' H ' HG23 ' A' ' 320' ' ' THR . 6.5 mm-40 -71.21 -47.56 56.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.309 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 324' ' ' LEU . . . . . 0.746 HD22 HG21 ' A' ' 359' ' ' VAL . 17.7 tp -57.21 -41.83 80.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 325' ' ' GLY . . . . . 0.511 ' O ' ' N ' ' A' ' 330' ' ' ILE . . . -74.88 -33.09 56.04 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.468 1.105 . . . . 0.0 111.037 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -70.56 -26.52 63.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 0.758 . . . . 0.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 327' ' ' LEU . . . . . 0.505 HD12 ' O ' ' A' ' 327' ' ' LEU . 0.4 OUTLIER -76.17 -40.3 52.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 328' ' ' LEU . . . . . 0.73 HD23 HD22 ' A' ' 308' ' ' ASN . 0.1 OUTLIER -93.31 3.18 56.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.137 . . . . 0.0 109.304 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 329' ' ' GLU . . . . . 0.431 ' HB2' ' O ' ' A' ' 328' ' ' LEU . 3.3 mm-40 67.89 6.79 5.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 110.272 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 330' ' ' ILE . . . . . 0.511 ' N ' ' O ' ' A' ' 325' ' ' GLY . 11.2 pt -96.47 159.71 31.25 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.361 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 331' ' ' PRO . . . . . 0.467 ' HD2' ' CB ' ' A' ' 334' ' ' LYS . 18.2 Cg_endo -75.05 159.04 41.63 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.458 1.768 . . . . 0.0 110.987 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 332' ' ' ALA . . . . . 0.62 ' HB1' ' HB2' ' A' ' 321' ' ' PHE . . . -58.11 -35.44 71.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.156 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -63.29 -36.13 82.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 334' ' ' LYS . . . . . 0.467 ' CB ' ' HD2' ' A' ' 331' ' ' PRO . 0.0 OUTLIER -75.41 -48.56 22.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 335' ' ' ALA . . . . . 0.517 ' O ' ' CB ' ' A' ' 339' ' ' ALA . . . -64.51 -32.16 73.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 332' ' ' ALA . 4.7 tt0 -71.2 -47.16 59.09 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.135 . . . . 0.0 110.295 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.69 -45.88 81.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 338' ' ' ILE . . . . . 0.735 HG22 HD22 ' A' ' 309' ' ' LEU . 79.8 mt -65.63 -46.73 88.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 339' ' ' ALA . . . . . 0.612 ' HB3' HD11 ' A' ' 352' ' ' ILE . . . -56.2 -45.01 79.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.355 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.41 -43.49 66.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.098 . . . . 0.0 109.98 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -60.07 -41.53 92.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.581 1.176 . . . . 0.0 110.321 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 342' ' ' MET . . . . . 0.535 ' HG3' HD23 ' A' ' 309' ' ' LEU . 25.9 mmm -62.85 -46.88 85.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.981 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 343' ' ' ILE . . . . . 0.472 HG13 ' HE2' ' A' ' 348' ' ' MET . 65.5 mt -66.33 -40.82 87.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.552 1.158 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 6.7 m -68.58 -28.86 67.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.371 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 345' ' ' GLU . . . . . 0.433 ' OE2' ' NH2' ' A' ' 347' ' ' ARG . 4.1 mt-10 -86.15 -8.12 58.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.301 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 88.49 -19.86 34.03 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 347' ' ' ARG . . . . . 0.555 ' O ' HD21 ' A' ' 310' ' ' LEU . 80.1 mtt180 -45.77 -50.56 13.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 0.724 . . . . 0.0 110.297 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 348' ' ' MET . . . . . 0.472 ' HE2' HG13 ' A' ' 343' ' ' ILE . 37.1 ttp -106.33 151.19 25.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 111.028 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -110.37 132.0 54.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.138 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 133.56 -164.2 24.34 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.476 1.11 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 351' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -145.99 154.65 42.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 0.771 . . . . 0.0 110.98 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 352' ' ' ILE . . . . . 0.746 HG12 HG12 ' A' ' 359' ' ' VAL . 11.0 mt -95.2 118.42 41.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 353' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 357' ' ' GLY . 58.8 t0 -82.34 112.22 19.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -82.94 -15.55 50.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.332 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 35.2 mt -71.78 -40.77 69.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.329 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -109.75 -14.97 14.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 357' ' ' GLY . . . . . 0.541 ' O ' ' CE2' ' A' ' 321' ' ' PHE . . . 66.53 34.01 86.35 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.502 1.126 . . . . 0.0 111.028 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 358' ' ' ILE . . . . . . . . . . . . . 92.1 mt -118.07 140.33 41.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 0.775 . . . . 0.0 109.325 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 359' ' ' VAL . . . . . 0.922 HG22 ' O ' ' A' ' 319' ' ' ILE . 31.0 m -83.53 137.81 20.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 360' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -111.86 122.06 46.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.583 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 361' ' ' PHE . . . . . 0.53 ' CG ' ' HA ' ' A' ' 313' ' ' SER . 22.7 m-85 -103.44 156.33 17.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.971 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 110.307 179.978 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 302' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -60.95 -39.83 91.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.341 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 304' ' ' VAL . . . . . . . . . . . . . 45.7 t -65.13 -46.48 90.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 305' ' ' ILE . . . . . 0.632 HG23 HD13 ' A' ' 328' ' ' LEU . 11.7 mt -59.9 -43.13 91.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -66.76 -46.29 75.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.327 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 18.2 t60 -62.65 -48.95 77.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.662 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 308' ' ' ASN . . . . . 0.429 ' HB3' ' CD2' ' A' ' 328' ' ' LEU . 2.0 m-20 -54.94 -36.88 65.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 309' ' ' LEU . . . . . 0.88 HD21 HD21 ' A' ' 324' ' ' LEU . 0.6 OUTLIER -64.5 -40.38 95.53 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 310' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 310' ' ' LEU . 20.0 mt -73.92 -41.91 61.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 311' ' ' SER . . . . . 0.724 ' O ' HD12 ' A' ' 315' ' ' LEU . 0.3 OUTLIER -68.15 -37.46 81.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.015 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -76.03 -27.77 57.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.341 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 313' ' ' SER . . . . . 0.551 ' HA ' ' CG ' ' A' ' 361' ' ' PHE . 5.2 t -68.27 -21.48 64.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.985 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 314' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.21 -9.09 24.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 315' ' ' LEU . . . . . 0.724 HD12 ' O ' ' A' ' 311' ' ' SER . 2.8 mt -102.11 -79.47 0.52 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -66.24 138.27 57.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 111.013 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 317' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -79.13 -38.04 37.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -151.57 135.37 16.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.442 1.089 . . . . 0.0 109.347 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 319' ' ' ILE . . . . . 1.006 ' O ' HG22 ' A' ' 359' ' ' VAL . 16.0 tt -146.66 147.44 17.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.359 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 320' ' ' THR . . . . . 0.445 HG23 ' H ' ' A' ' 323' ' ' GLU . 12.7 t -95.17 163.93 13.07 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.135 . . . . 0.0 110.402 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 321' ' ' PHE . . . . . 0.729 ' CB ' ' HB1' ' A' ' 332' ' ' ALA . 19.1 m-85 -55.86 -38.72 70.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 111.034 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -60.36 -49.35 77.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 110.285 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 323' ' ' GLU . . . . . 0.445 ' H ' HG23 ' A' ' 320' ' ' THR . 41.2 mt-10 -71.98 -46.03 58.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 110.33 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 324' ' ' LEU . . . . . 0.88 HD21 HD21 ' A' ' 309' ' ' LEU . 15.5 tp -57.39 -41.44 80.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 325' ' ' GLY . . . . . 0.492 ' O ' ' N ' ' A' ' 330' ' ' ILE . . . -73.52 -32.53 59.56 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.573 1.171 . . . . 0.0 111.011 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -70.82 -26.95 63.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 0.772 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -76.03 -39.98 54.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 328' ' ' LEU . . . . . 0.632 HD13 HG23 ' A' ' 305' ' ' ILE . 0.1 OUTLIER -94.26 3.16 55.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 66.17 8.27 5.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 110.297 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 330' ' ' ILE . . . . . 0.522 HG23 ' O ' ' A' ' 328' ' ' LEU . 7.3 pt -98.16 164.04 18.06 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 331' ' ' PRO . . . . . 0.489 ' HD2' ' HB ' ' A' ' 330' ' ' ILE . 18.3 Cg_endo -74.99 156.48 43.03 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.478 1.778 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 332' ' ' ALA . . . . . 0.729 ' HB1' ' CB ' ' A' ' 321' ' ' PHE . . . -58.54 -31.7 68.18 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -65.26 -39.28 92.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.271 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 334' ' ' LYS . . . . . 0.403 ' O ' HG13 ' A' ' 338' ' ' ILE . 5.3 tptt -74.66 -48.24 27.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 335' ' ' ALA . . . . . 0.505 ' O ' ' CB ' ' A' ' 339' ' ' ALA . . . -65.34 -30.29 71.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . 0.502 ' CB ' ' O ' ' A' ' 332' ' ' ALA . 33.0 tt0 -69.05 -47.43 65.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.571 1.169 . . . . 0.0 110.315 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 37.2 tptt -69.79 -46.17 66.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 338' ' ' ILE . . . . . 0.595 HG22 HD13 ' A' ' 309' ' ' LEU . 94.9 mt -61.97 -47.3 93.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.344 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 339' ' ' ALA . . . . . 0.505 ' CB ' ' O ' ' A' ' 335' ' ' ALA . . . -55.99 -44.2 78.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.52 -43.69 66.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.953 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -60.29 -38.0 82.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.288 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 342' ' ' MET . . . . . 0.403 ' HE2' ' HB3' ' A' ' 347' ' ' ARG . 4.1 mtp -62.66 -46.61 87.38 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 0.0 110.946 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 343' ' ' ILE . . . . . 0.405 ' CG1' ' HB3' ' A' ' 348' ' ' MET . 43.1 mt -65.84 -38.04 81.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 3.0 m -72.72 -26.84 61.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 110.422 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -80.9 -9.01 59.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 90.17 -26.74 9.41 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.469 1.106 . . . . 0.0 111.017 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 347' ' ' ARG . . . . . 0.403 ' HB3' ' HE2' ' A' ' 342' ' ' MET . 53.2 mtt-85 -42.9 -55.85 3.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 0.739 . . . . 0.0 110.31 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 348' ' ' MET . . . . . 0.405 ' HB3' ' CG1' ' A' ' 343' ' ' ILE . 1.7 ttp -91.11 -175.57 4.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.969 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -153.2 129.26 10.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 136.51 -157.47 23.61 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.521 1.138 . . . . 0.0 111.006 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 351' ' ' PHE . . . . . 0.733 ' CE2' ' CG ' ' A' ' 360' ' ' HIS . 1.9 p90 -136.32 155.33 50.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 0.78 . . . . 0.0 110.956 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 352' ' ' ILE . . . . . 0.782 HG12 HG12 ' A' ' 359' ' ' VAL . 3.9 mt -105.93 108.78 25.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 109.261 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 353' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 357' ' ' GLY . 3.0 t0 -71.96 111.87 7.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -84.79 -33.94 22.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 0.0 110.334 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 61.9 mt -62.13 -31.87 52.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -110.84 -15.05 13.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.424 1.078 . . . . 0.0 109.293 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 357' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 353' ' ' ASP . . . 65.95 34.14 87.66 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.456 1.098 . . . . 0.0 110.988 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 358' ' ' ILE . . . . . . . . . . . . . 15.3 mt -115.36 160.14 14.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.535 0.785 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 359' ' ' VAL . . . . . 1.006 HG22 ' O ' ' A' ' 319' ' ' ILE . 27.0 m -109.2 135.78 47.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.085 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 360' ' ' HIS . . . . . 0.733 ' CG ' ' CE2' ' A' ' 351' ' ' PHE . 11.8 m-70 -104.35 112.42 25.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.594 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 361' ' ' PHE . . . . . 0.551 ' CG ' ' HA ' ' A' ' 313' ' ' SER . 17.5 m-85 -96.25 150.19 20.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.343 179.989 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 302' ' ' ARG . . . . . 0.64 ' HA ' HD12 ' A' ' 305' ' ' ILE . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -62.16 -35.06 77.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 304' ' ' VAL . . . . . . . . . . . . . 40.1 t -62.98 -46.38 96.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 305' ' ' ILE . . . . . 0.79 ' HA ' HD22 ' A' ' 328' ' ' LEU . 3.3 mt -61.62 -47.22 94.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.341 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -57.78 -47.0 83.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 110.325 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 28.0 t60 -66.56 -48.81 68.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.674 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 308' ' ' ASN . . . . . 0.469 ' HB2' ' CD2' ' A' ' 328' ' ' LEU . 34.6 m-20 -55.46 -38.28 68.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 309' ' ' LEU . . . . . 0.632 HD22 HG22 ' A' ' 338' ' ' ILE . 1.1 mp -62.91 -38.2 90.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 310' ' ' LEU . . . . . 0.584 HD21 ' O ' ' A' ' 347' ' ' ARG . 20.2 mt -74.16 -42.1 60.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 5.1 m -65.72 -45.23 83.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.979 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -67.54 -21.87 65.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.107 . . . . 0.0 109.32 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 313' ' ' SER . . . . . 0.535 ' HA ' ' CG ' ' A' ' 361' ' ' PHE . 27.8 t -74.2 -27.01 60.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.969 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 314' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.37 -7.26 22.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.593 1.183 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 1.5 mt -101.57 -79.14 0.52 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -73.51 135.73 44.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 317' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -74.15 -40.27 62.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -148.13 135.41 20.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 319' ' ' ILE . . . . . 0.927 ' O ' HG22 ' A' ' 359' ' ' VAL . 14.0 tt -146.61 147.62 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 320' ' ' THR . . . . . 0.441 HG23 ' H ' ' A' ' 323' ' ' GLU . 12.6 t -94.92 166.84 11.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 110.405 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 321' ' ' PHE . . . . . 0.814 ' CB ' ' HB1' ' A' ' 332' ' ' ALA . 22.5 m-85 -58.33 -37.28 74.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 110.989 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -61.79 -50.09 73.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.293 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 323' ' ' GLU . . . . . 0.441 ' H ' HG23 ' A' ' 320' ' ' THR . 6.0 mm-40 -72.78 -45.19 59.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.279 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 324' ' ' LEU . . . . . 0.892 HD22 HG21 ' A' ' 359' ' ' VAL . 11.5 tp -57.4 -42.36 82.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.243 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 325' ' ' GLY . . . . . 0.494 ' O ' ' N ' ' A' ' 330' ' ' ILE . . . -74.96 -33.29 55.4 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.456 1.097 . . . . 0.0 111.039 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -64.3 -31.55 72.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 0.766 . . . . 0.0 109.334 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 327' ' ' LEU . . . . . 0.51 HD12 ' O ' ' A' ' 327' ' ' LEU . 0.4 OUTLIER -75.73 -40.32 55.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 328' ' ' LEU . . . . . 0.881 ' O ' HG23 ' A' ' 330' ' ' ILE . 0.1 OUTLIER -87.58 10.57 17.49 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.464 1.102 . . . . 0.0 109.336 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 56.64 17.13 2.94 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 110.314 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 330' ' ' ILE . . . . . 0.881 HG23 ' O ' ' A' ' 328' ' ' LEU . 2.2 pt -112.55 165.58 12.77 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 331' ' ' PRO . . . . . 0.492 ' HD2' ' CB ' ' A' ' 334' ' ' LYS . 18.1 Cg_endo -75.05 161.23 38.97 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.49 1.784 . . . . 0.0 110.978 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 332' ' ' ALA . . . . . 0.814 ' HB1' ' CB ' ' A' ' 321' ' ' PHE . . . -58.56 -39.15 79.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -60.01 -37.61 80.23 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.454 1.096 . . . . 0.0 109.331 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 334' ' ' LYS . . . . . 0.492 ' CB ' ' HD2' ' A' ' 331' ' ' PRO . 3.3 tptt -73.27 -47.93 38.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 335' ' ' ALA . . . . . 0.407 ' O ' ' CB ' ' A' ' 339' ' ' ALA . . . -64.82 -30.5 71.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 332' ' ' ALA . 29.0 tt0 -70.54 -44.36 67.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.303 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 35.0 tptt -68.47 -46.19 70.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 338' ' ' ILE . . . . . 0.632 HG21 HG22 ' A' ' 305' ' ' ILE . 85.3 mt -63.19 -47.13 93.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 339' ' ' ALA . . . . . 0.563 ' HB3' HD11 ' A' ' 352' ' ' ILE . . . -56.71 -42.1 78.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.4 -50.45 31.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.984 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.91 -35.61 75.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 110.307 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 342' ' ' MET . . . . . . . . . . . . . 18.7 mmm -62.54 -47.07 85.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 110.966 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 343' ' ' ILE . . . . . . . . . . . . . 62.8 mt -68.1 -36.87 77.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.477 1.11 . . . . 0.0 109.322 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 6.9 m -66.25 -32.86 74.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.419 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -80.07 -8.69 59.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.275 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 85.68 -12.86 58.23 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.501 1.126 . . . . 0.0 111.016 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 347' ' ' ARG . . . . . 0.584 ' O ' HD21 ' A' ' 310' ' ' LEU . 9.9 mtp180 -53.64 -47.53 70.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 0.771 . . . . 0.0 110.304 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 33.4 ttp -106.91 147.47 29.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.989 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -110.51 132.12 54.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 137.54 -162.23 25.43 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.449 1.093 . . . . 0.0 110.987 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 351' ' ' PHE . . . . . . . . . . . . . 9.6 p90 -146.11 151.69 38.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 0.776 . . . . 0.0 110.967 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 352' ' ' ILE . . . . . 0.679 HG12 HG12 ' A' ' 359' ' ' VAL . 10.4 mt -94.99 126.97 47.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 353' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 357' ' ' GLY . 59.5 t0 -91.47 110.04 21.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -81.82 -14.81 55.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 110.335 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 24.9 mt -70.17 -42.0 79.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.245 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -110.76 -14.32 14.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 357' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 353' ' ' ASP . . . 69.14 34.12 75.2 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.514 1.134 . . . . 0.0 111.026 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 358' ' ' ILE . . . . . . . . . . . . . 74.1 mt -117.76 140.41 41.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.54 0.788 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 359' ' ' VAL . . . . . 0.927 HG22 ' O ' ' A' ' 319' ' ' ILE . 30.7 m -81.25 136.18 23.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 360' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -108.76 111.35 23.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.645 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 361' ' ' PHE . . . . . 0.535 ' CG ' ' HA ' ' A' ' 313' ' ' SER . 21.4 m-85 -93.08 155.89 17.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.248 -179.961 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 302' ' ' ARG . . . . . 0.423 ' NH1' ' HE2' ' A' ' 334' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -71.23 -36.46 71.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 304' ' ' VAL . . . . . . . . . . . . . 47.8 t -66.47 -46.69 85.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 305' ' ' ILE . . . . . 0.697 HG23 HD13 ' A' ' 328' ' ' LEU . 7.6 mt -60.13 -43.37 92.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 306' ' ' GLU . . . . . 0.445 ' OE2' ' NH1' ' A' ' 347' ' ' ARG . 1.7 mt-10 -59.83 -48.54 81.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.34 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 23.5 t60 -66.72 -49.89 64.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.637 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 308' ' ' ASN . . . . . 0.504 ' HB3' HD21 ' A' ' 328' ' ' LEU . 3.9 m-80 -55.3 -36.75 66.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 309' ' ' LEU . . . . . 0.786 HD21 HD21 ' A' ' 324' ' ' LEU . 1.3 mt -65.19 -40.93 94.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.082 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 310' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 310' ' ' LEU . 20.4 mt -74.07 -42.04 60.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 311' ' ' SER . . . . . 0.519 ' O ' HD12 ' A' ' 315' ' ' LEU . 0.5 OUTLIER -67.51 -42.42 82.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.028 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -67.09 -22.1 65.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 313' ' ' SER . . . . . 0.545 ' HA ' ' CG ' ' A' ' 361' ' ' PHE . 28.7 t -73.94 -33.39 63.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.997 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 314' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -90.41 -8.85 49.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 315' ' ' LEU . . . . . 0.519 HD12 ' O ' ' A' ' 311' ' ' SER . 4.3 mt -99.15 -77.99 0.51 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -74.94 134.97 41.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 317' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -70.62 -43.08 70.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.086 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -150.88 135.33 17.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 319' ' ' ILE . . . . . 0.554 HG22 ' CE2' ' A' ' 361' ' ' PHE . 16.4 tt -146.74 147.21 18.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 320' ' ' THR . . . . . 0.491 HG23 ' H ' ' A' ' 323' ' ' GLU . 12.3 t -89.21 167.08 13.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.367 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 321' ' ' PHE . . . . . 0.838 ' CB ' ' HB1' ' A' ' 332' ' ' ALA . 36.3 m-85 -61.72 -35.36 77.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.956 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -62.14 -49.16 76.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.277 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 323' ' ' GLU . . . . . 0.491 ' H ' HG23 ' A' ' 320' ' ' THR . 16.8 mm-40 -71.62 -47.0 57.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 110.29 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 324' ' ' LEU . . . . . 0.786 HD21 HD21 ' A' ' 309' ' ' LEU . 21.0 tp -57.2 -41.9 80.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 325' ' ' GLY . . . . . 0.488 ' O ' ' N ' ' A' ' 330' ' ' ILE . . . -73.09 -32.59 60.34 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.514 1.134 . . . . 0.0 111.028 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -68.52 -28.6 67.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 0.791 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.0 -41.83 49.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 328' ' ' LEU . . . . . 0.697 HD13 HG23 ' A' ' 305' ' ' ILE . 0.2 OUTLIER -89.34 3.27 52.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 109.312 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 64.74 10.56 6.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 330' ' ' ILE . . . . . 0.602 HG23 ' O ' ' A' ' 328' ' ' LEU . 3.4 pt -103.56 163.14 18.03 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 331' ' ' PRO . . . . . 0.419 ' HD2' ' HB ' ' A' ' 330' ' ' ILE . 18.3 Cg_endo -74.98 158.32 42.33 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.487 1.783 . . . . 0.0 110.985 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 332' ' ' ALA . . . . . 0.838 ' HB1' ' CB ' ' A' ' 321' ' ' PHE . . . -58.53 -40.6 83.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.36 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -58.21 -35.07 71.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 334' ' ' LYS . . . . . 0.47 ' CG ' HD12 ' A' ' 330' ' ' ILE . 9.7 tptm -75.33 -48.01 25.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 335' ' ' ALA . . . . . 0.516 ' O ' ' CB ' ' A' ' 339' ' ' ALA . . . -63.97 -32.59 74.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 332' ' ' ALA . 12.1 tt0 -68.28 -47.28 68.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.309 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 6.1 tppt? -63.52 -45.3 91.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.348 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 338' ' ' ILE . . . . . 0.597 HG22 ' CD1' ' A' ' 309' ' ' LEU . 70.0 mt -68.83 -44.61 81.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 339' ' ' ALA . . . . . 0.516 ' CB ' ' O ' ' A' ' 335' ' ' ALA . . . -56.67 -44.86 81.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.07 -40.77 71.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.026 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -61.65 -37.86 85.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.331 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 342' ' ' MET . . . . . . . . . . . . . 8.4 mtp -62.88 -46.93 85.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 111.028 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 343' ' ' ILE . . . . . . . . . . . . . 55.0 mt -68.04 -34.27 65.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.107 . . . . 0.0 109.28 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -71.17 -31.52 67.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.434 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -83.6 -8.96 59.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.322 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 88.18 -19.98 32.15 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.514 1.134 . . . . 0.0 111.0 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 347' ' ' ARG . . . . . 0.445 ' NH1' ' OE2' ' A' ' 306' ' ' GLU . 78.2 mtt180 -44.46 -51.06 9.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 0.771 . . . . 0.0 110.338 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 29.8 ttp -103.44 151.05 23.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.974 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -113.78 132.01 56.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.267 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 134.86 -159.94 24.11 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.498 1.124 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 351' ' ' PHE . . . . . . . . . . . . . 9.6 p90 -146.14 164.74 31.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 0.733 . . . . 0.0 111.006 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 17.7 mt -104.29 125.03 59.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.336 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 353' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -88.67 110.03 20.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.125 . . . . 0.0 109.252 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -83.01 -16.45 47.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 14.4 mt -69.99 -41.67 79.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.27 -13.3 14.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 357' ' ' GLY . . . . . 0.423 ' O ' ' CE2' ' A' ' 321' ' ' PHE . . . 67.45 29.65 74.33 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.563 1.164 . . . . 0.0 111.019 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 358' ' ' ILE . . . . . . . . . . . . . 70.9 mt -112.64 145.32 18.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.499 0.764 . . . . 0.0 109.275 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 359' ' ' VAL . . . . . . . . . . . . . 71.2 t -87.72 128.56 40.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 360' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -98.06 110.96 23.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.574 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 361' ' ' PHE . . . . . 0.554 ' CE2' HG22 ' A' ' 319' ' ' ILE . 16.4 m-85 -94.11 150.21 20.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 111.017 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 110.284 -179.999 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 302' ' ' ARG . . . . . . . . . . . . . 13.8 tpp180 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -58.81 -34.02 71.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 304' ' ' VAL . . . . . 0.406 HG12 ' ND2' ' A' ' 308' ' ' ASN . 25.0 t -71.19 -43.65 74.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 305' ' ' ILE . . . . . 0.531 HD12 ' N ' ' A' ' 305' ' ' ILE . 1.6 mp -63.76 -40.06 87.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -69.56 -50.74 41.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 110.285 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 60.8 t60 -59.16 -48.6 81.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 109.584 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 308' ' ' ASN . . . . . 0.453 ' HB3' HD23 ' A' ' 328' ' ' LEU . 99.0 m-20 -55.13 -39.88 69.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 309' ' ' LEU . . . . . 0.473 HD22 HG22 ' A' ' 338' ' ' ILE . 1.1 tp -62.78 -42.19 99.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 310' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 310' ' ' LEU . 18.8 mt -71.8 -35.37 69.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 311' ' ' SER . . . . . 0.716 ' O ' HD12 ' A' ' 315' ' ' LEU . 0.1 OUTLIER -71.92 -44.82 63.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.998 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -61.58 -27.9 68.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 313' ' ' SER . . . . . 0.571 ' HA ' ' CD1' ' A' ' 361' ' ' PHE . 43.2 t -65.11 -45.0 86.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.02 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 314' ' ' LYS . . . . . . . . . . . . . 4.8 mttp -101.58 36.67 1.98 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.256 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 315' ' ' LEU . . . . . 0.716 HD12 ' O ' ' A' ' 311' ' ' SER . 9.0 mt -138.63 -62.95 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -93.5 153.23 18.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 110.982 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 317' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -88.28 -41.22 13.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -153.45 135.69 14.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 319' ' ' ILE . . . . . 0.782 HG23 HD12 ' A' ' 324' ' ' LEU . 17.7 tt -146.52 144.37 20.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 320' ' ' THR . . . . . . . . . . . . . 81.1 p -88.45 160.67 17.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.43 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 321' ' ' PHE . . . . . 0.681 ' HB3' ' HB1' ' A' ' 332' ' ' ALA . 52.8 m-85 -55.81 -35.01 65.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 111.016 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -66.31 -49.08 68.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 110.274 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -70.73 -43.81 68.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.34 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 324' ' ' LEU . . . . . 0.782 HD12 HG23 ' A' ' 319' ' ' ILE . 1.1 tt -57.15 -44.14 83.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 325' ' ' GLY . . . . . 0.493 ' O ' ' N ' ' A' ' 330' ' ' ILE . . . -68.62 -32.48 74.74 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.514 1.134 . . . . 0.0 110.996 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -71.39 -25.86 62.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 0.78 . . . . 0.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 1.2 tp -75.94 -38.25 57.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.16 . . . . 0.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 328' ' ' LEU . . . . . 0.718 HD11 HD23 ' A' ' 324' ' ' LEU . 0.1 OUTLIER -95.78 4.46 52.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 65.36 9.19 5.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.283 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 330' ' ' ILE . . . . . 0.608 HG23 ' O ' ' A' ' 328' ' ' LEU . 4.0 pt -103.24 164.5 15.35 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.261 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 331' ' ' PRO . . . . . 0.455 ' HD2' ' HB ' ' A' ' 330' ' ' ILE . 18.3 Cg_endo -74.95 160.35 40.4 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.479 1.778 . . . . 0.0 111.049 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 332' ' ' ALA . . . . . 0.681 ' HB1' ' HB3' ' A' ' 321' ' ' PHE . . . -58.35 -39.34 79.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -59.39 -36.77 76.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 334' ' ' LYS . . . . . 0.527 ' O ' ' CG1' ' A' ' 338' ' ' ILE . 2.1 tptt -74.52 -48.1 29.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 335' ' ' ALA . . . . . 0.453 ' O ' ' CB ' ' A' ' 339' ' ' ALA . . . -63.21 -32.07 73.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 332' ' ' ALA . 6.5 tt0 -71.69 -47.24 55.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.286 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.78 -45.59 67.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 338' ' ' ILE . . . . . 0.527 ' CG1' ' O ' ' A' ' 334' ' ' LYS . 1.7 mm -61.27 -47.75 92.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 339' ' ' ALA . . . . . 0.453 ' CB ' ' O ' ' A' ' 335' ' ' ALA . . . -57.68 -44.32 85.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.62 -40.67 73.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.975 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.29 -41.01 96.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.32 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 342' ' ' MET . . . . . 0.462 ' HG3' ' CD2' ' A' ' 309' ' ' LEU . 46.7 mmm -63.94 -48.92 74.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 111.004 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 343' ' ' ILE . . . . . . . . . . . . . 45.8 mt -63.54 -39.57 85.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 2.2 m -66.47 -26.99 67.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.388 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -87.73 -8.91 55.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 110.297 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 90.55 -29.31 6.82 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.521 1.138 . . . . 0.0 110.996 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 347' ' ' ARG . . . . . . . . . . . . . 13.4 mtp180 -39.1 -44.2 1.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 0.758 . . . . 0.0 110.27 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 23.1 ttp -110.35 154.33 23.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.979 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -121.08 132.07 54.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.265 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 139.65 -164.8 25.97 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.535 1.147 . . . . 0.0 110.982 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 351' ' ' PHE . . . . . . . . . . . . . 26.7 p90 -146.12 164.04 33.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 0.769 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 22.5 mt -107.06 121.6 60.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 353' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -85.86 109.84 18.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -84.46 -19.87 32.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.287 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 5.7 mm -64.54 -42.22 94.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.342 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -108.01 -14.97 14.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . 70.9 33.52 65.85 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.513 1.133 . . . . 0.0 111.012 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 358' ' ' ILE . . . . . . . . . . . . . 86.1 mt -114.11 149.06 16.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 0.742 . . . . 0.0 109.321 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 359' ' ' VAL . . . . . . . . . . . . . 51.1 t -92.43 119.54 40.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 360' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -85.52 110.94 19.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.573 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 361' ' ' PHE . . . . . 0.571 ' CD1' ' HA ' ' A' ' 313' ' ' SER . 4.7 m-85 -99.84 146.57 26.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.274 -179.949 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 302' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -69.78 -44.06 70.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 304' ' ' VAL . . . . . . . . . . . . . 97.6 t -62.85 -46.37 96.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 305' ' ' ILE . . . . . 0.593 ' HA ' HD22 ' A' ' 328' ' ' LEU . 5.1 mt -65.49 -42.24 92.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.256 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -63.91 -42.71 97.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.31 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 14.5 t60 -71.19 -49.6 42.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.574 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 308' ' ' ASN . . . . . 0.564 ' CB ' HD23 ' A' ' 328' ' ' LEU . 7.1 m-80 -54.82 -34.86 63.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 109.33 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 309' ' ' LEU . . . . . 0.659 HD13 HG22 ' A' ' 338' ' ' ILE . 2.2 mt -67.25 -41.35 85.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 310' ' ' LEU . . . . . 0.475 HD23 ' HA ' ' A' ' 310' ' ' LEU . 16.1 mt -73.97 -40.93 62.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 311' ' ' SER . . . . . 0.428 ' O ' HD12 ' A' ' 315' ' ' LEU . 0.4 OUTLIER -69.52 -40.95 76.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.583 1.177 . . . . 0.0 110.033 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 312' ' ' ALA . . . . . 0.426 ' CB ' ' O ' ' A' ' 308' ' ' ASN . . . -61.12 -31.87 71.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 313' ' ' SER . . . . . . . . . . . . . 30.6 t -61.07 -38.81 87.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.998 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 314' ' ' LYS . . . . . . . . . . . . . 34.2 mtmt -100.16 35.32 2.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.082 . . . . 0.0 109.315 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 315' ' ' LEU . . . . . 0.428 HD12 ' O ' ' A' ' 311' ' ' SER . 8.8 mt -140.96 -49.08 0.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 316' ' ' TYR . . . . . 0.427 ' CD1' ' N ' ' A' ' 316' ' ' TYR . 8.9 m-85 -109.72 151.63 26.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.972 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 317' ' ' ASN . . . . . 0.404 ' O ' ' ND2' ' A' ' 318' ' ' ASN . 15.5 m-20 -84.79 -46.46 11.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 318' ' ' ASN . . . . . 0.404 ' ND2' ' O ' ' A' ' 317' ' ' ASN . 0.4 OUTLIER -149.76 135.79 18.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.137 . . . . 0.0 109.315 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 319' ' ' ILE . . . . . . . . . . . . . 19.7 tt -146.3 145.79 19.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.29 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 320' ' ' THR . . . . . 0.583 HG23 ' H ' ' A' ' 323' ' ' GLU . 9.7 t -88.12 164.32 15.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.41 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 321' ' ' PHE . . . . . 0.744 ' CB ' ' HB1' ' A' ' 332' ' ' ALA . 52.1 m-85 -58.23 -38.45 76.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.979 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -60.44 -49.35 77.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.272 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 323' ' ' GLU . . . . . 0.583 ' H ' HG23 ' A' ' 320' ' ' THR . 21.4 mm-40 -72.22 -43.36 64.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 110.32 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 324' ' ' LEU . . . . . 0.531 ' O ' HD12 ' A' ' 328' ' ' LEU . 12.3 tp -57.46 -42.46 82.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.254 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 325' ' ' GLY . . . . . 0.477 ' O ' ' N ' ' A' ' 330' ' ' ILE . . . -74.26 -32.73 57.82 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.507 1.129 . . . . 0.0 111.015 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -66.51 -30.34 70.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 0.756 . . . . 0.0 109.314 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 327' ' ' LEU . . . . . 0.487 HD12 ' O ' ' A' ' 327' ' ' LEU . 0.3 OUTLIER -75.49 -41.47 55.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 328' ' ' LEU . . . . . 0.678 ' O ' HG23 ' A' ' 330' ' ' ILE . 0.1 OUTLIER -87.75 3.82 46.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 63.37 11.99 5.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 110.283 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 330' ' ' ILE . . . . . 0.678 HG23 ' O ' ' A' ' 328' ' ' LEU . 2.0 pt -107.65 165.03 13.51 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 331' ' ' PRO . . . . . 0.44 ' HD2' ' HB ' ' A' ' 330' ' ' ILE . 18.5 Cg_endo -74.93 158.61 42.35 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.514 1.797 . . . . 0.0 111.017 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 332' ' ' ALA . . . . . 0.744 ' HB1' ' CB ' ' A' ' 321' ' ' PHE . . . -58.7 -35.57 72.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -62.27 -37.77 86.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.341 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 334' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.86 -48.2 26.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 335' ' ' ALA . . . . . 0.508 ' O ' ' CB ' ' A' ' 339' ' ' ALA . . . -63.95 -30.7 71.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -70.9 -47.23 60.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.272 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 9.0 tptt -66.44 -45.87 78.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 338' ' ' ILE . . . . . 0.659 HG22 HD13 ' A' ' 309' ' ' LEU . 87.1 mt -64.7 -46.72 91.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 339' ' ' ALA . . . . . 0.508 ' CB ' ' O ' ' A' ' 335' ' ' ALA . . . -56.88 -43.78 81.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.341 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.33 -43.72 66.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.016 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -59.74 -37.87 80.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.278 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 342' ' ' MET . . . . . 0.455 ' HB2' ' HE3' ' A' ' 348' ' ' MET . 2.8 mmm -65.59 -37.64 87.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 111.024 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 343' ' ' ILE . . . . . . . . . . . . . 34.3 mt -68.14 -49.13 70.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 1.2 m -62.35 -30.56 71.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 110.356 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -79.88 -9.4 59.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 110.281 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 89.18 -27.75 7.29 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.518 1.136 . . . . 0.0 110.985 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 347' ' ' ARG . . . . . . . . . . . . . 24.0 mtt85 -38.71 -56.92 1.27 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.508 0.769 . . . . 0.0 110.279 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 348' ' ' MET . . . . . 0.455 ' HE3' ' HB2' ' A' ' 342' ' ' MET . 12.7 ttm -100.39 143.91 30.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 111.006 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 349' ' ' ASN . . . . . 0.429 ' N ' ' HG2' ' A' ' 348' ' ' MET . 1.4 t30 -113.13 131.22 55.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 142.24 -160.43 27.21 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 351' ' ' PHE . . . . . . . . . . . . . 20.3 p90 -146.11 149.21 33.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 0.745 . . . . 0.0 111.031 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 10.1 mt -94.64 117.5 38.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.37 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 353' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -80.4 110.03 15.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -82.69 -18.34 41.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 6.2 mm -67.64 -40.43 84.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -108.92 -15.02 14.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.285 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 357' ' ' GLY . . . . . 0.454 ' O ' ' CE2' ' A' ' 321' ' ' PHE . . . 68.97 33.05 73.91 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.49 1.119 . . . . 0.0 111.011 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 358' ' ' ILE . . . . . . . . . . . . . 94.8 mt -113.65 148.07 16.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 0.77 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 359' ' ' VAL . . . . . . . . . . . . . 58.0 t -92.86 133.18 34.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.337 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 360' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -108.83 110.85 22.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 109.599 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 361' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -95.16 153.83 17.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 110.979 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 110.281 -179.999 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 302' ' ' ARG . . . . . 0.403 ' NH1' ' HE3' ' A' ' 334' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.324 -0.251 . . . . 0.0 110.324 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -65.0 -35.09 80.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 304' ' ' VAL . . . . . 0.465 HG12 HD21 ' A' ' 308' ' ' ASN . 41.4 t -65.53 -46.44 89.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 305' ' ' ILE . . . . . 0.746 HG23 HD13 ' A' ' 328' ' ' LEU . 4.8 mt -65.8 -42.99 93.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 306' ' ' GLU . . . . . 0.428 ' O ' ' HE2' ' A' ' 342' ' ' MET . 10.3 mt-10 -57.76 -42.95 85.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.281 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 45.7 t60 -71.04 -42.58 69.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.586 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 308' ' ' ASN . . . . . 0.474 ' HB2' ' CD2' ' A' ' 328' ' ' LEU . 84.3 m-20 -54.98 -41.44 71.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.297 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 309' ' ' LEU . . . . . 0.468 ' CD2' ' HA ' ' A' ' 339' ' ' ALA . 1.8 mp -62.96 -37.5 87.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 310' ' ' LEU . . . . . 0.466 HD21 ' O ' ' A' ' 347' ' ' ARG . 34.8 mt -69.61 -38.48 77.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 311' ' ' SER . . . . . 0.519 ' O ' HD12 ' A' ' 315' ' ' LEU . 0.4 OUTLIER -74.13 -44.9 52.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.0 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -62.03 -22.9 66.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 109.268 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 313' ' ' SER . . . . . 0.451 ' CB ' ' CD1' ' A' ' 361' ' ' PHE . 20.3 t -72.18 -44.57 62.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.012 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 314' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.72 -7.79 59.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 315' ' ' LEU . . . . . 0.519 HD12 ' O ' ' A' ' 311' ' ' SER . 2.9 mt -102.13 -84.43 0.45 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.328 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -66.77 146.58 54.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 317' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -85.45 -38.92 18.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -157.45 135.77 11.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 319' ' ' ILE . . . . . 0.479 HG23 HD12 ' A' ' 324' ' ' LEU . 4.5 tt -146.51 146.66 18.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.086 . . . . 0.0 109.3 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 320' ' ' THR . . . . . . . . . . . . . 60.0 p -88.08 162.77 16.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.409 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 321' ' ' PHE . . . . . 0.672 ' HB3' ' HB1' ' A' ' 332' ' ' ALA . 51.2 m-85 -56.6 -39.18 73.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 111.008 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -61.68 -48.88 78.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.302 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -71.41 -45.12 63.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.308 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 324' ' ' LEU . . . . . 0.924 ' CD2' HD11 ' A' ' 328' ' ' LEU . 3.0 tt -57.19 -43.44 82.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 325' ' ' GLY . . . . . 0.468 ' CA ' ' O ' ' A' ' 330' ' ' ILE . . . -69.17 -32.35 72.58 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.536 1.147 . . . . 0.0 110.995 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -71.31 -26.64 62.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 0.772 . . . . 0.0 109.34 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 327' ' ' LEU . . . . . 0.428 HD12 ' O ' ' A' ' 327' ' ' LEU . 0.8 OUTLIER -75.45 -38.64 59.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 109.334 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 328' ' ' LEU . . . . . 0.924 HD11 ' CD2' ' A' ' 324' ' ' LEU . 0.1 OUTLIER -93.49 -0.72 56.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 71.31 4.7 5.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.575 1.172 . . . . 0.0 110.297 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 330' ' ' ILE . . . . . 0.468 ' O ' ' CA ' ' A' ' 325' ' ' GLY . 4.1 pt -99.87 163.45 18.39 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 331' ' ' PRO . . . . . 0.444 ' HD2' ' HB ' ' A' ' 330' ' ' ILE . 18.5 Cg_endo -74.97 159.48 41.41 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.544 1.813 . . . . 0.0 111.041 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 332' ' ' ALA . . . . . 0.672 ' HB1' ' HB3' ' A' ' 321' ' ' PHE . . . -58.78 -34.28 71.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -63.61 -38.25 90.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 334' ' ' LYS . . . . . 0.435 ' CB ' ' HD2' ' A' ' 331' ' ' PRO . 12.7 tptt -74.59 -47.77 30.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 335' ' ' ALA . . . . . 0.403 ' O ' ' CB ' ' A' ' 339' ' ' ALA . . . -64.1 -32.72 74.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -69.04 -45.5 70.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.31 -46.01 74.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 338' ' ' ILE . . . . . 0.425 HD12 ' CD1' ' A' ' 330' ' ' ILE . 90.4 mt -63.51 -47.43 91.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.36 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 339' ' ' ALA . . . . . 0.468 ' HA ' ' CD2' ' A' ' 309' ' ' LEU . . . -56.87 -43.0 80.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.46 -46.73 59.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.941 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.81 -36.78 77.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 110.319 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 342' ' ' MET . . . . . 0.428 ' HE2' ' O ' ' A' ' 306' ' ' GLU . 28.4 mmm -62.76 -49.01 76.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 111.04 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 343' ' ' ILE . . . . . 0.59 HD11 ' HE3' ' A' ' 348' ' ' MET . 69.2 mt -68.15 -32.96 58.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 1.1 m -69.6 -31.61 69.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.395 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -86.79 -9.02 56.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 0.0 110.309 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 89.09 -22.6 21.9 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.507 1.13 . . . . 0.0 111.028 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 347' ' ' ARG . . . . . 0.466 ' O ' HD21 ' A' ' 310' ' ' LEU . 79.3 mtt-85 -42.95 -37.59 1.93 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 0.781 . . . . 0.0 110.309 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 348' ' ' MET . . . . . 0.59 ' HE3' HD11 ' A' ' 343' ' ' ILE . 41.1 ttp -118.83 143.68 46.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.957 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -106.14 132.95 51.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 133.38 -165.72 24.01 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.519 1.137 . . . . 0.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 351' ' ' PHE . . . . . . . . . . . . . 23.9 p90 -146.08 162.61 37.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 0.751 . . . . 0.0 111.026 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 29.7 mt -101.03 117.84 46.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 353' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -80.83 109.8 15.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.128 . . . . 0.0 109.323 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -87.71 -15.73 36.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.308 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 14.3 mt -69.54 -39.31 78.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 356' ' ' ASP . . . . . 0.426 ' HB3' HD12 ' A' ' 358' ' ' ILE . 0.8 OUTLIER -108.67 -14.58 14.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.282 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . 71.2 31.42 66.34 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.495 1.122 . . . . 0.0 111.046 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 358' ' ' ILE . . . . . 0.426 HD12 ' HB3' ' A' ' 356' ' ' ASP . 27.9 mt -115.92 147.89 19.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.476 0.751 . . . . 0.0 109.249 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 359' ' ' VAL . . . . . . . . . . . . . 53.5 t -89.56 125.36 42.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.546 1.154 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 360' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -93.13 110.97 22.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.622 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 361' ' ' PHE . . . . . 0.451 ' CD1' ' CB ' ' A' ' 313' ' ' SER . 9.3 m-85 -97.6 151.97 19.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 111.029 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 362' ' ' GLU . . . . . 0.433 ' HA ' ' OE1' ' A' ' 362' ' ' GLU . 4.1 tp10 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 302' ' ' ARG . . . . . 0.467 ' CZ ' HG12 ' A' ' 338' ' ' ILE . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.31 -0.255 . . . . 0.0 110.31 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -59.0 -33.6 70.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 304' ' ' VAL . . . . . . . . . . . . . 46.1 t -69.79 -45.63 76.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 305' ' ' ILE . . . . . 0.633 ' O ' HD12 ' A' ' 309' ' ' LEU . 1.4 mp -59.51 -40.08 80.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -69.68 -48.4 59.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.283 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -58.94 -49.19 78.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.143 . . . . 0.0 109.607 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 308' ' ' ASN . . . . . 0.493 ' HB3' ' CD2' ' A' ' 328' ' ' LEU . 0.7 OUTLIER -54.91 -40.32 69.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.267 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 309' ' ' LEU . . . . . 0.633 HD12 ' O ' ' A' ' 305' ' ' ILE . 0.4 OUTLIER -62.65 -35.79 80.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 310' ' ' LEU . . . . . . . . . . . . . 49.6 mt -72.17 -38.08 69.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 311' ' ' SER . . . . . 0.42 ' C ' HD12 ' A' ' 315' ' ' LEU . 52.7 m -74.12 -42.83 59.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.983 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -59.8 -22.54 62.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 313' ' ' SER . . . . . 0.468 ' HA ' ' CG ' ' A' ' 361' ' ' PHE . 4.5 p -70.26 -35.17 73.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 110.025 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 314' ' ' LYS . . . . . . . . . . . . . 12.6 mtmm -107.25 35.14 3.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 315' ' ' LEU . . . . . 0.42 HD12 ' C ' ' A' ' 311' ' ' SER . 11.1 mt -137.17 -75.61 0.41 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -80.82 149.84 29.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 111.007 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 317' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -82.27 -43.39 17.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.272 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -155.36 135.9 13.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.338 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 319' ' ' ILE . . . . . 0.404 ' CD1' ' HA ' ' A' ' 324' ' ' LEU . 3.4 tt -146.3 145.58 19.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 320' ' ' THR . . . . . 0.56 HG23 ' H ' ' A' ' 323' ' ' GLU . 12.6 t -88.48 162.42 16.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.365 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 321' ' ' PHE . . . . . 0.701 ' HB3' ' HB1' ' A' ' 332' ' ' ALA . 63.7 m-85 -56.52 -39.27 73.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.975 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -61.53 -47.14 86.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 323' ' ' GLU . . . . . 0.56 ' H ' HG23 ' A' ' 320' ' ' THR . 56.6 mm-40 -71.96 -47.21 53.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.329 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 324' ' ' LEU . . . . . 0.957 ' CD2' HD11 ' A' ' 328' ' ' LEU . 4.5 tt -57.13 -42.79 81.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 325' ' ' GLY . . . . . 0.499 ' O ' ' N ' ' A' ' 330' ' ' ILE . . . -70.94 -32.68 66.1 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.465 1.103 . . . . 0.0 111.004 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -70.66 -26.12 63.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 0.754 . . . . 0.0 109.295 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.82 -39.13 57.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.258 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 328' ' ' LEU . . . . . 0.957 HD11 ' CD2' ' A' ' 324' ' ' LEU . 0.1 OUTLIER -94.84 4.33 53.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 65.61 8.95 5.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.278 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 330' ' ' ILE . . . . . 0.575 HG23 ' O ' ' A' ' 328' ' ' LEU . 4.9 pt -101.17 162.62 19.97 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 331' ' ' PRO . . . . . 0.485 ' HD2' ' CB ' ' A' ' 334' ' ' LYS . 18.3 Cg_endo -75.04 161.38 38.75 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.464 1.771 . . . . 0.0 110.946 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 332' ' ' ALA . . . . . 0.701 ' HB1' ' HB3' ' A' ' 321' ' ' PHE . . . -58.53 -42.39 87.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -57.54 -34.5 69.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 334' ' ' LYS . . . . . 0.485 ' CB ' ' HD2' ' A' ' 331' ' ' PRO . 9.8 tptm -75.25 -48.82 21.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 335' ' ' ALA . . . . . 0.543 ' O ' ' CB ' ' A' ' 339' ' ' ALA . . . -63.48 -34.88 78.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . 0.442 ' HB2' ' CD1' ' A' ' 321' ' ' PHE . 3.5 tt0 -71.78 -47.35 54.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 0.0 110.296 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 25.7 tttp -66.5 -46.36 76.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.287 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 338' ' ' ILE . . . . . 0.605 HG22 HD13 ' A' ' 309' ' ' LEU . 61.2 mt -64.61 -46.74 91.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.135 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 339' ' ' ALA . . . . . 0.543 ' CB ' ' O ' ' A' ' 335' ' ' ALA . . . -55.75 -42.54 75.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.48 -40.82 70.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 109.954 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -39.53 93.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.303 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 342' ' ' MET . . . . . . . . . . . . . 9.7 mtp -62.7 -45.97 90.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.979 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 343' ' ' ILE . . . . . . . . . . . . . 40.2 mt -66.94 -37.26 79.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 6.9 m -67.55 -27.0 66.58 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.493 1.12 . . . . 0.0 110.427 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -88.79 -9.42 51.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.095 . . . . 0.0 110.304 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 88.96 -27.56 7.28 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.496 1.123 . . . . 0.0 110.959 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 347' ' ' ARG . . . . . . . . . . . . . 74.4 mtt-85 -38.75 -37.49 0.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 0.762 . . . . 0.0 110.32 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 6.1 ttp -110.42 176.37 5.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.965 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -143.52 130.38 20.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 133.42 -158.13 23.06 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.514 1.134 . . . . 0.0 110.971 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 351' ' ' PHE . . . . . . . . . . . . . 19.3 p90 -146.12 165.1 30.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 0.736 . . . . 0.0 111.026 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 8.6 mt -106.89 115.35 48.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 353' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -76.53 110.29 10.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -89.63 -12.22 40.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 110.292 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 57.9 mt -73.19 -39.54 56.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 109.322 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -110.28 -14.81 14.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . 73.25 29.62 64.04 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.546 1.153 . . . . 0.0 110.953 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 358' ' ' ILE . . . . . . . . . . . . . 49.5 mt -110.9 142.39 23.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.497 0.763 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 359' ' ' VAL . . . . . . . . . . . . . 82.4 t -85.74 123.67 39.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 360' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -90.96 110.76 22.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.598 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 361' ' ' PHE . . . . . 0.468 ' CG ' ' HA ' ' A' ' 313' ' ' SER . 12.3 m-85 -99.44 150.81 21.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 111.038 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.291 -179.969 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 302' ' ' ARG . . . . . . . . . . . . . 2.5 tpp180 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -69.69 -35.77 75.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 304' ' ' VAL . . . . . 0.404 ' O ' ' OD1' ' A' ' 308' ' ' ASN . 10.4 t -72.24 -46.81 56.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 305' ' ' ILE . . . . . . . . . . . . . 7.1 mt -59.61 -40.46 82.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 306' ' ' GLU . . . . . 0.582 ' O ' ' HE1' ' A' ' 342' ' ' MET . 12.1 mt-10 -58.83 -48.8 80.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.35 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 24.7 t60 -71.44 -44.57 64.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.625 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 308' ' ' ASN . . . . . 0.445 ' HB2' ' CD2' ' A' ' 328' ' ' LEU . 19.4 m-20 -54.01 -32.76 55.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.337 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 309' ' ' LEU . . . . . 0.444 ' CD2' ' HA ' ' A' ' 339' ' ' ALA . 1.8 tp -70.06 -49.02 55.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.276 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 310' ' ' LEU . . . . . 0.72 HD11 ' O ' ' A' ' 347' ' ' ARG . 0.2 OUTLIER -64.1 -45.04 90.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 13.0 m -59.46 -41.66 90.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 109.956 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -66.07 -21.94 66.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 109.291 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 313' ' ' SER . . . . . 0.472 ' HA ' ' CG ' ' A' ' 361' ' ' PHE . 1.4 p -68.44 -32.92 73.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.064 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 314' ' ' LYS . . . . . . . . . . . . . 5.9 mttp -108.01 33.59 4.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 7.4 mt -137.74 -66.09 0.51 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.357 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -93.86 117.12 29.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 111.006 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 317' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -50.22 -38.16 38.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -161.86 136.42 6.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 319' ' ' ILE . . . . . 0.543 HG21 HD13 ' A' ' 324' ' ' LEU . 19.8 tt -145.15 142.82 22.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 320' ' ' THR . . . . . 0.912 HG22 HD12 ' A' ' 358' ' ' ILE . 29.2 p -80.99 165.74 21.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 110.418 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 321' ' ' PHE . . . . . 0.743 ' CB ' ' HB1' ' A' ' 332' ' ' ALA . 69.7 m-85 -62.14 -32.27 72.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 111.002 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -64.81 -49.33 71.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.331 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 323' ' ' GLU . . . . . 0.429 ' HB3' HD11 ' A' ' 319' ' ' ILE . 9.2 mm-40 -72.2 -45.64 59.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.284 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 324' ' ' LEU . . . . . 0.543 HD13 HG21 ' A' ' 319' ' ' ILE . 18.2 tp -57.32 -41.77 80.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 325' ' ' GLY . . . . . 0.499 ' O ' ' N ' ' A' ' 330' ' ' ILE . . . -74.52 -32.9 57.1 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.509 1.13 . . . . 0.0 110.978 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -68.89 -27.55 65.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 0.748 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 327' ' ' LEU . . . . . 0.418 HD12 ' O ' ' A' ' 327' ' ' LEU . 0.3 OUTLIER -75.9 -41.45 51.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.259 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 328' ' ' LEU . . . . . 0.567 ' O ' HG23 ' A' ' 330' ' ' ILE . 0.0 OUTLIER -90.45 4.11 51.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 65.47 9.4 5.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.59 1.181 . . . . 0.0 110.314 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 330' ' ' ILE . . . . . 0.567 HG23 ' O ' ' A' ' 328' ' ' LEU . 5.8 pt -101.82 161.85 22.19 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 331' ' ' PRO . . . . . 0.416 ' HD2' ' HB ' ' A' ' 330' ' ' ILE . 18.3 Cg_endo -75.01 158.4 42.17 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.469 1.773 . . . . 0.0 111.045 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 332' ' ' ALA . . . . . 0.743 ' HB1' ' CB ' ' A' ' 321' ' ' PHE . . . -58.76 -36.57 74.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -60.72 -43.11 98.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 334' ' ' LYS . . . . . 0.523 ' O ' ' CG1' ' A' ' 338' ' ' ILE . 0.3 OUTLIER -70.26 -47.66 60.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.337 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 335' ' ' ALA . . . . . . . . . . . . . . . -63.22 -30.87 71.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 332' ' ' ALA . 11.9 tt0 -71.31 -47.26 57.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.318 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 21.3 mmmt -69.47 -45.4 69.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 338' ' ' ILE . . . . . 0.523 ' CG1' ' O ' ' A' ' 334' ' ' LYS . 1.6 mm -59.23 -47.83 89.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 109.246 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 339' ' ' ALA . . . . . 0.444 ' HA ' ' CD2' ' A' ' 309' ' ' LEU . . . -59.62 -45.53 91.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.83 -43.14 89.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 109.97 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -35.98 80.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.273 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 342' ' ' MET . . . . . 0.582 ' HE1' ' O ' ' A' ' 306' ' ' GLU . 2.8 mtp -64.31 -44.35 91.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 111.05 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 343' ' ' ILE . . . . . . . . . . . . . 23.3 mt -67.41 -47.25 81.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 8.8 m -58.01 -37.81 75.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.382 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -79.67 -7.42 58.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.311 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 83.88 -11.63 56.25 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 347' ' ' ARG . . . . . 0.72 ' O ' HD11 ' A' ' 310' ' ' LEU . 8.7 mmt180 -50.03 -41.85 48.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 0.788 . . . . 0.0 110.299 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 348' ' ' MET . . . . . 0.447 ' HG2' ' N ' ' A' ' 349' ' ' ASN . 8.8 ttm -115.62 141.57 47.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 111.034 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 349' ' ' ASN . . . . . 0.447 ' N ' ' HG2' ' A' ' 348' ' ' MET . 0.7 OUTLIER -102.41 130.37 49.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 134.62 -160.23 24.16 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.115 . . . . 0.0 111.007 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 351' ' ' PHE . . . . . . . . . . . . . 14.3 p90 -146.2 163.15 36.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 0.778 . . . . 0.0 111.02 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 352' ' ' ILE . . . . . 0.412 HD11 ' CB ' ' A' ' 339' ' ' ALA . 10.4 mt -105.0 130.73 55.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 353' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -92.85 110.45 21.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.09 . . . . 0.0 109.317 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -88.97 -17.17 30.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 33.0 mm -70.44 -39.11 75.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -107.24 -11.21 15.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . 68.22 29.75 73.4 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.491 1.119 . . . . 0.0 111.016 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 358' ' ' ILE . . . . . 0.912 HD12 HG22 ' A' ' 320' ' ' THR . 6.7 mm -113.99 149.78 16.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.559 0.799 . . . . 0.0 109.233 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 359' ' ' VAL . . . . . . . . . . . . . 56.5 t -94.75 120.21 43.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 360' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -86.9 111.32 20.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.603 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 361' ' ' PHE . . . . . 0.472 ' CG ' ' HA ' ' A' ' 313' ' ' SER . 8.8 m-85 -103.11 150.81 23.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 111.004 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 110.312 -179.994 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 302' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -62.58 -41.82 99.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 304' ' ' VAL . . . . . . . . . . . . . 40.7 t -62.81 -46.26 96.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 305' ' ' ILE . . . . . 0.569 ' HA ' HD22 ' A' ' 328' ' ' LEU . 23.1 mt -59.78 -40.94 83.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -67.45 -47.32 70.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 110.28 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 15.4 t60 -61.82 -49.7 75.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 109.61 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 308' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -55.1 -37.42 66.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 309' ' ' LEU . . . . . 0.525 HD12 ' O ' ' A' ' 305' ' ' ILE . 0.5 OUTLIER -64.24 -41.17 97.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 310' ' ' LEU . . . . . 0.897 HD21 ' O ' ' A' ' 347' ' ' ARG . 23.4 mt -74.22 -42.06 60.37 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.16 -44.97 82.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 110.02 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -67.18 -23.12 65.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.334 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 313' ' ' SER . . . . . 0.564 ' HA ' ' CD2' ' A' ' 361' ' ' PHE . 2.8 t -74.17 -30.73 62.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.956 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 314' ' ' LYS . . . . . . . . . . . . . 15.4 mttt -93.1 -6.58 47.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 10.5 mt -98.15 -87.92 0.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -65.03 165.45 11.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 317' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -98.32 -44.66 6.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.248 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -144.51 135.34 24.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.254 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 319' ' ' ILE . . . . . 0.91 ' O ' HG22 ' A' ' 359' ' ' VAL . 6.4 tt -146.56 143.33 20.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 320' ' ' THR . . . . . 0.607 HG23 ' H ' ' A' ' 323' ' ' GLU . 5.6 t -85.65 161.97 19.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.343 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 321' ' ' PHE . . . . . 0.755 ' CB ' ' HB1' ' A' ' 332' ' ' ALA . 15.5 m-85 -56.92 -38.87 73.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.59 1.182 . . . . 0.0 111.044 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -60.31 -45.68 92.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.34 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 323' ' ' GLU . . . . . 0.607 ' H ' HG23 ' A' ' 320' ' ' THR . 30.8 mm-40 -71.97 -46.47 57.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.311 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 324' ' ' LEU . . . . . 0.774 HD12 HG21 ' A' ' 359' ' ' VAL . 0.5 OUTLIER -56.97 -44.23 82.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 325' ' ' GLY . . . . . 0.456 ' CA ' ' O ' ' A' ' 330' ' ' ILE . . . -71.72 -31.96 64.56 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.57 1.168 . . . . 0.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -70.49 -25.99 63.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 0.789 . . . . 0.0 109.265 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 1.2 tp -75.4 -42.38 53.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.338 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 328' ' ' LEU . . . . . 0.614 HD11 HD23 ' A' ' 324' ' ' LEU . 0.1 OUTLIER -90.76 -2.84 57.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.343 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 329' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 325' ' ' GLY . 5.3 mt-10 76.28 -0.67 3.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 110.269 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 330' ' ' ILE . . . . . 0.456 ' O ' ' CA ' ' A' ' 325' ' ' GLY . 7.0 pt -90.92 163.18 30.7 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 109.333 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 331' ' ' PRO . . . . . 0.451 ' HD2' ' HB ' ' A' ' 330' ' ' ILE . 18.3 Cg_endo -75.05 157.46 42.56 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.486 1.782 . . . . 0.0 110.98 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 332' ' ' ALA . . . . . 0.755 ' HB1' ' CB ' ' A' ' 321' ' ' PHE . . . -58.53 -32.39 68.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 109.341 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -63.22 -39.2 93.95 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 334' ' ' LYS . . . . . 0.452 ' HB3' HD12 ' A' ' 330' ' ' ILE . 0.0 OUTLIER -75.24 -48.04 25.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 335' ' ' ALA . . . . . 0.511 ' O ' ' CB ' ' A' ' 339' ' ' ALA . . . -63.97 -30.87 71.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 332' ' ' ALA . 6.2 tt0 -70.45 -46.99 62.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 110.336 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 15.0 mttt -68.26 -45.78 72.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.257 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 338' ' ' ILE . . . . . 0.493 HG22 HD13 ' A' ' 309' ' ' LEU . 83.9 mt -63.7 -47.29 91.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 339' ' ' ALA . . . . . 0.511 ' CB ' ' O ' ' A' ' 335' ' ' ALA . . . -56.63 -43.88 80.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.33 -45.19 63.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.982 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -61.83 -37.88 86.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 110.317 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 342' ' ' MET . . . . . 0.413 ' CG ' ' O ' ' A' ' 338' ' ' ILE . 17.5 mmm -62.81 -44.2 96.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 111.041 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 343' ' ' ILE . . . . . 0.454 ' CG1' ' HB3' ' A' ' 348' ' ' MET . 59.8 mt -66.86 -37.03 78.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 3.9 m -70.55 -27.45 64.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.385 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -84.51 -9.12 58.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.238 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 90.86 -30.74 5.98 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 347' ' ' ARG . . . . . 0.897 ' O ' HD21 ' A' ' 310' ' ' LEU . 5.8 mtt85 -38.78 -44.75 1.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 0.747 . . . . 0.0 110.26 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 348' ' ' MET . . . . . 0.454 ' HB3' ' CG1' ' A' ' 343' ' ' ILE . 0.8 OUTLIER -103.54 176.08 5.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 111.009 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -143.5 128.41 18.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 136.55 -160.21 24.71 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.445 1.09 . . . . 0.0 111.009 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 351' ' ' PHE . . . . . . . . . . . . . 13.1 p90 -145.98 153.18 40.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 0.763 . . . . 0.0 110.984 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 352' ' ' ILE . . . . . 0.727 HG12 HG12 ' A' ' 359' ' ' VAL . 37.1 mt -95.99 121.12 46.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 353' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 357' ' ' GLY . 55.5 t0 -88.03 113.37 23.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -81.64 -14.15 57.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.33 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 62.0 mt -70.1 -42.66 79.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.26 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -110.39 -14.95 14.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 357' ' ' GLY . . . . . 0.58 ' O ' ' CE2' ' A' ' 321' ' ' PHE . . . 68.13 33.88 79.73 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.502 1.126 . . . . 0.0 111.042 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 358' ' ' ILE . . . . . 0.505 HG23 ' C ' ' A' ' 319' ' ' ILE . 52.6 mt -118.04 143.9 27.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 359' ' ' VAL . . . . . 0.91 HG22 ' O ' ' A' ' 319' ' ' ILE . 18.8 m -82.83 140.24 16.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 360' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -109.49 110.86 22.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.601 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 361' ' ' PHE . . . . . 0.564 ' CD2' ' HA ' ' A' ' 313' ' ' SER . 11.7 m-85 -96.91 151.64 19.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.98 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.293 179.968 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 302' ' ' ARG . . . . . 0.408 ' NH1' HG12 ' A' ' 338' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.305 -0.258 . . . . 0.0 110.305 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -60.15 -33.83 72.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 109.263 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 304' ' ' VAL . . . . . 0.566 HG12 HD22 ' A' ' 308' ' ' ASN . 41.5 t -71.0 -46.42 67.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 305' ' ' ILE . . . . . 0.594 HG23 HD13 ' A' ' 328' ' ' LEU . 4.7 mt -61.98 -44.69 99.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 306' ' ' GLU . . . . . 0.418 ' HA ' ' SD ' ' A' ' 342' ' ' MET . 8.5 mt-10 -59.67 -47.82 84.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.288 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 36.7 t60 -69.29 -43.25 74.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.558 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 308' ' ' ASN . . . . . 0.566 HD22 HG12 ' A' ' 304' ' ' VAL . 5.0 m-20 -54.56 -38.75 67.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 309' ' ' LEU . . . . . 0.838 HD21 HD21 ' A' ' 324' ' ' LEU . 0.7 OUTLIER -64.06 -50.17 69.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 310' ' ' LEU . . . . . 0.533 HD11 ' O ' ' A' ' 347' ' ' ARG . 0.2 OUTLIER -60.96 -45.3 95.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 311' ' ' SER . . . . . 0.478 ' HA ' ' CE ' ' A' ' 314' ' ' LYS . 0.1 OUTLIER -60.22 -39.31 86.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.007 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -68.45 -21.64 64.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 313' ' ' SER . . . . . 0.409 ' HA ' ' CG ' ' A' ' 361' ' ' PHE . 2.7 t -59.56 -44.87 93.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 109.975 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 314' ' ' LYS . . . . . 0.478 ' CE ' ' HA ' ' A' ' 311' ' ' SER . 0.0 OUTLIER -89.59 -34.55 16.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.267 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 315' ' ' LEU . . . . . 0.413 ' N ' ' HG2' ' A' ' 314' ' ' LYS . 4.1 mt -69.62 -78.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -79.2 121.48 25.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 317' ' ' ASN . . . . . 0.445 ' O ' ' ND2' ' A' ' 318' ' ' ASN . 2.6 m120 -62.75 -40.51 97.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 318' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 317' ' ' ASN . 0.4 OUTLIER -158.71 135.72 9.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 319' ' ' ILE . . . . . 0.427 ' CG1' ' HB2' ' A' ' 323' ' ' GLU . 16.7 tt -146.47 146.87 18.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 320' ' ' THR . . . . . 0.597 HG23 ' H ' ' A' ' 323' ' ' GLU . 8.9 t -87.36 166.04 15.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 110.403 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 321' ' ' PHE . . . . . 0.714 ' CB ' ' HB1' ' A' ' 332' ' ' ALA . 39.4 m-85 -58.28 -38.24 76.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 111.02 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -62.33 -49.21 76.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.295 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 323' ' ' GLU . . . . . 0.597 ' H ' HG23 ' A' ' 320' ' ' THR . 10.9 mm-40 -71.29 -46.01 61.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.101 . . . . 0.0 110.307 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 324' ' ' LEU . . . . . 0.838 HD21 HD21 ' A' ' 309' ' ' LEU . 38.0 tp -57.4 -42.18 81.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 109.26 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 325' ' ' GLY . . . . . 0.493 ' CA ' ' O ' ' A' ' 330' ' ' ILE . . . -67.72 -32.4 78.02 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -71.98 -26.32 62.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 0.769 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 327' ' ' LEU . . . . . 0.564 HD23 HD12 ' A' ' 324' ' ' LEU . 0.7 OUTLIER -75.95 -38.22 57.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.264 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 328' ' ' LEU . . . . . 0.599 ' O ' HG23 ' A' ' 330' ' ' ILE . 0.1 OUTLIER -95.45 3.47 54.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 65.23 9.67 5.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.253 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 330' ' ' ILE . . . . . 0.599 HG23 ' O ' ' A' ' 328' ' ' LEU . 3.3 pt -104.35 164.3 15.54 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 331' ' ' PRO . . . . . 0.476 ' HD2' ' CB ' ' A' ' 334' ' ' LYS . 18.3 Cg_endo -75.04 160.62 39.81 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.519 1.8 . . . . 0.0 110.983 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 332' ' ' ALA . . . . . 0.714 ' HB1' ' CB ' ' A' ' 321' ' ' PHE . . . -58.28 -41.03 83.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.26 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -58.47 -35.21 71.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 334' ' ' LYS . . . . . 0.492 ' CG ' HD12 ' A' ' 330' ' ' ILE . 2.6 tptt -75.37 -48.42 23.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 335' ' ' ALA . . . . . 0.508 ' O ' ' CB ' ' A' ' 339' ' ' ALA . . . -63.66 -30.51 71.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.102 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 332' ' ' ALA . 8.9 tt0 -71.07 -47.25 59.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 110.276 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 11.9 mtmt -67.27 -45.77 75.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 338' ' ' ILE . . . . . 0.51 HD12 ' CD1' ' A' ' 330' ' ' ILE . 72.8 mt -64.12 -47.03 91.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 339' ' ' ALA . . . . . 0.508 ' CB ' ' O ' ' A' ' 335' ' ' ALA . . . -56.81 -45.33 82.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.58 -43.86 71.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 110.008 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -60.02 -36.45 77.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.3 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 342' ' ' MET . . . . . 0.475 ' HE2' HD21 ' A' ' 310' ' ' LEU . 9.3 mtp -63.07 -49.04 76.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 111.002 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 343' ' ' ILE . . . . . 0.531 HG13 ' HE2' ' A' ' 348' ' ' MET . 75.0 mt -68.15 -36.53 75.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 11.9 m -65.99 -34.31 77.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.38 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -80.47 -3.82 51.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.313 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 75.25 2.12 66.18 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.497 1.123 . . . . 0.0 110.977 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 347' ' ' ARG . . . . . 0.533 ' O ' HD11 ' A' ' 310' ' ' LEU . 60.5 mtt180 -69.94 -27.45 64.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 0.755 . . . . 0.0 110.366 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 348' ' ' MET . . . . . 0.531 ' HE2' HG13 ' A' ' 343' ' ' ILE . 35.4 ttp -122.38 164.66 17.6 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 111.023 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -126.51 132.31 51.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.086 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 136.67 -169.53 23.79 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.462 1.101 . . . . 0.0 110.984 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 351' ' ' PHE . . . . . . . . . . . . . 33.6 p90 -143.99 155.46 44.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 0.754 . . . . 0.0 110.987 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 18.6 mt -98.76 120.92 48.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 353' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -83.27 109.91 17.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.143 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -84.73 -18.33 35.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 18.9 mt -67.65 -40.07 83.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -109.33 -14.98 14.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 357' ' ' GLY . . . . . 0.405 ' O ' ' CE2' ' A' ' 321' ' ' PHE . . . 71.01 26.87 73.13 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.525 1.141 . . . . 0.0 111.019 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 358' ' ' ILE . . . . . . . . . . . . . 76.4 mt -107.68 144.37 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 0.772 . . . . 0.0 109.298 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 359' ' ' VAL . . . . . . . . . . . . . 48.4 t -89.67 118.04 34.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 360' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -87.43 110.91 20.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.537 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 361' ' ' PHE . . . . . 0.439 ' HZ ' HD23 ' A' ' 309' ' ' LEU . 8.3 m-85 -97.96 148.94 22.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 111.047 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 110.316 -179.973 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 302' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -63.13 -32.88 74.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 304' ' ' VAL . . . . . 0.491 HG12 ' ND2' ' A' ' 308' ' ' ASN . 51.8 t -71.05 -46.46 66.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 305' ' ' ILE . . . . . . . . . . . . . 7.3 mt -61.54 -43.27 96.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -57.83 -49.19 77.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.308 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 28.6 t60 -67.8 -45.96 73.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.643 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 308' ' ' ASN . . . . . 0.491 ' ND2' HG12 ' A' ' 304' ' ' VAL . 68.2 m-20 -55.3 -39.06 69.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 309' ' ' LEU . . . . . 0.592 HD22 HG22 ' A' ' 338' ' ' ILE . 1.1 tp -62.88 -39.42 94.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 310' ' ' LEU . . . . . 0.433 HD21 ' O ' ' A' ' 347' ' ' ARG . 23.5 mt -73.88 -39.77 63.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 311' ' ' SER . . . . . 0.751 ' O ' HD12 ' A' ' 315' ' ' LEU . 39.6 m -68.02 -44.87 75.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.989 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -64.84 -22.38 66.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 313' ' ' SER . . . . . 0.495 ' HA ' ' CG ' ' A' ' 361' ' ' PHE . 2.6 p -72.94 -41.04 64.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.023 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 314' ' ' LYS . . . . . . . . . . . . . 22.5 mttt -83.47 -12.23 56.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 315' ' ' LEU . . . . . 0.751 HD12 ' O ' ' A' ' 311' ' ' SER . 1.5 mt -97.27 -84.09 0.38 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -69.1 128.36 36.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 110.975 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 317' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -68.77 -39.15 80.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -151.43 135.43 16.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 319' ' ' ILE . . . . . 0.509 HG21 HD13 ' A' ' 324' ' ' LEU . 20.0 tt -146.72 147.3 17.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 320' ' ' THR . . . . . . . . . . . . . 24.4 p -88.86 161.69 16.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.386 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 321' ' ' PHE . . . . . 0.698 ' HB3' ' HB1' ' A' ' 332' ' ' ALA . 33.5 m-85 -55.79 -38.58 70.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 111.033 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -61.77 -49.23 77.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.347 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -71.6 -44.11 65.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.303 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 324' ' ' LEU . . . . . 0.515 ' O ' ' CD1' ' A' ' 328' ' ' LEU . 15.8 tp -57.31 -42.75 82.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 325' ' ' GLY . . . . . 0.486 ' O ' ' N ' ' A' ' 330' ' ' ILE . . . -74.69 -33.0 56.62 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.52 1.138 . . . . 0.0 110.975 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -67.9 -28.57 67.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 0.782 . . . . 0.0 109.328 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.76 -41.97 51.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 328' ' ' LEU . . . . . 0.594 ' O ' HG23 ' A' ' 330' ' ' ILE . 0.1 OUTLIER -88.81 3.65 50.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 65.41 9.29 5.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 330' ' ' ILE . . . . . 0.594 HG23 ' O ' ' A' ' 328' ' ' LEU . 3.8 pt -102.89 163.11 18.21 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 331' ' ' PRO . . . . . 0.429 ' HD2' ' HB ' ' A' ' 330' ' ' ILE . 18.6 Cg_endo -74.98 156.83 43.09 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.464 1.77 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 332' ' ' ALA . . . . . 0.698 ' HB1' ' HB3' ' A' ' 321' ' ' PHE . . . -58.47 -33.23 69.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -63.63 -39.13 93.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 334' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -75.16 -47.82 26.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 335' ' ' ALA . . . . . 0.497 ' O ' ' CB ' ' A' ' 339' ' ' ALA . . . -64.24 -30.71 71.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . 0.422 ' CB ' ' O ' ' A' ' 332' ' ' ALA . 7.5 tt0 -70.88 -47.0 61.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 9.3 tppt? -66.66 -45.77 77.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.353 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 338' ' ' ILE . . . . . 0.592 HG22 HD22 ' A' ' 309' ' ' LEU . 90.1 mt -64.64 -47.33 89.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 339' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 335' ' ' ALA . . . -56.81 -42.89 80.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 109.268 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -71.21 -47.51 56.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 110.0 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -59.66 -38.6 81.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 110.287 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 342' ' ' MET . . . . . 0.406 ' HG3' ' CD2' ' A' ' 309' ' ' LEU . 29.0 mmm -62.84 -42.29 99.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 110.993 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 343' ' ' ILE . . . . . 0.495 HG13 ' HE1' ' A' ' 348' ' ' MET . 35.5 mt -67.73 -37.44 78.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 1.4 m -72.17 -27.01 62.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.42 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -83.24 -8.94 59.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.288 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 89.94 -30.02 6.09 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.48 1.112 . . . . 0.0 110.983 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 347' ' ' ARG . . . . . 0.433 ' O ' HD21 ' A' ' 310' ' ' LEU . 16.2 mtt85 -39.27 -52.66 1.98 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 0.782 . . . . 0.0 110.264 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 348' ' ' MET . . . . . 0.495 ' HE1' HG13 ' A' ' 343' ' ' ILE . 1.8 ttp -85.48 174.54 9.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.971 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -145.32 114.38 6.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.579 1.175 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 142.22 -155.03 25.39 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.532 1.145 . . . . 0.0 111.041 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 351' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -146.16 162.85 37.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 0.767 . . . . 0.0 110.996 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 12.0 mt -104.14 114.08 42.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.351 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 353' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 357' ' ' GLY . 64.7 t0 -76.59 110.08 10.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -83.18 -19.11 37.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 110.298 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 13.2 mt -66.86 -41.7 88.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -110.16 -14.48 14.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 357' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 353' ' ' ASP . . . 69.42 33.86 73.27 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.467 1.104 . . . . 0.0 110.977 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 358' ' ' ILE . . . . . . . . . . . . . 12.3 mt -111.54 147.3 15.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.456 0.739 . . . . 0.0 109.312 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 359' ' ' VAL . . . . . . . . . . . . . 62.0 t -88.38 119.55 35.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.312 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 360' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -91.99 110.77 22.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.618 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 361' ' ' PHE . . . . . 0.495 ' CG ' ' HA ' ' A' ' 313' ' ' SER . 12.9 m-85 -97.99 146.05 25.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 362' ' ' GLU . . . . . 0.423 ' HA ' ' OE1' ' A' ' 362' ' ' GLU . 4.6 tp10 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 110.288 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 302' ' ' ARG . . . . . . . . . . . . . 4.0 ttt-85 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.31 -0.255 . . . . 0.0 110.31 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -68.79 -33.35 73.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 304' ' ' VAL . . . . . . . . . . . . . 17.5 t -69.27 -46.18 77.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 305' ' ' ILE . . . . . 0.738 HG23 HD13 ' A' ' 328' ' ' LEU . 13.6 mt -59.82 -39.94 81.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 306' ' ' GLU . . . . . 0.434 ' OE1' ' CD ' ' A' ' 347' ' ' ARG . 2.1 mt-10 -63.49 -45.99 88.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 12.7 t60 -67.91 -45.78 73.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.127 . . . . 0.0 109.585 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 308' ' ' ASN . . . . . 0.5 ' HB3' ' CD2' ' A' ' 328' ' ' LEU . 0.6 OUTLIER -56.18 -43.86 78.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 309' ' ' LEU . . . . . 0.595 HD22 ' SD ' ' A' ' 342' ' ' MET . 0.5 OUTLIER -62.21 -35.59 79.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 310' ' ' LEU . . . . . . . . . . . . . 84.8 mt -73.15 -42.08 63.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.52 1.138 . . . . 0.0 109.338 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.17 -45.15 70.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 110.016 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -62.5 -21.98 65.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 313' ' ' SER . . . . . 0.517 ' HA ' ' CD2' ' A' ' 361' ' ' PHE . 1.4 p -68.59 -43.7 75.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.013 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 314' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.83 -18.94 55.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.34 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 2.0 mt -89.57 -84.78 0.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.258 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -71.61 156.79 39.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 317' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -96.68 -44.06 7.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -144.34 135.47 25.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 319' ' ' ILE . . . . . 0.879 ' O ' HG22 ' A' ' 359' ' ' VAL . 4.9 tt -146.57 144.11 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 320' ' ' THR . . . . . 0.697 HG23 ' H ' ' A' ' 323' ' ' GLU . 6.5 t -85.69 159.68 19.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.41 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 321' ' ' PHE . . . . . 0.869 ' CB ' ' HB1' ' A' ' 332' ' ' ALA . 16.6 m-85 -55.43 -35.82 65.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 111.031 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -64.33 -48.89 73.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.282 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 323' ' ' GLU . . . . . 0.697 ' H ' HG23 ' A' ' 320' ' ' THR . 19.7 mm-40 -69.92 -48.31 59.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.327 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 324' ' ' LEU . . . . . 0.984 ' CD2' HD11 ' A' ' 328' ' ' LEU . 4.8 tt -57.44 -42.27 82.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 325' ' ' GLY . . . . . 0.463 ' O ' ' N ' ' A' ' 330' ' ' ILE . . . -69.8 -32.23 70.33 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.549 1.155 . . . . 0.0 111.0 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -70.99 -26.59 63.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 0.789 . . . . 0.0 109.304 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 327' ' ' LEU . . . . . 0.431 HD12 ' O ' ' A' ' 327' ' ' LEU . 0.4 OUTLIER -75.36 -39.45 59.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.312 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 328' ' ' LEU . . . . . 0.984 HD11 ' CD2' ' A' ' 324' ' ' LEU . 0.2 OUTLIER -93.26 3.24 55.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 65.33 9.75 5.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.34 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 330' ' ' ILE . . . . . 0.594 HG23 ' O ' ' A' ' 328' ' ' LEU . 3.6 pt -103.3 164.6 15.15 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 331' ' ' PRO . . . . . 0.464 ' HD2' ' CB ' ' A' ' 334' ' ' LYS . 18.3 Cg_endo -74.97 158.94 42.02 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.53 1.805 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 332' ' ' ALA . . . . . 0.869 ' HB1' ' CB ' ' A' ' 321' ' ' PHE . . . -58.85 -32.52 69.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -65.65 -36.88 84.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 334' ' ' LYS . . . . . 0.464 ' CB ' ' HD2' ' A' ' 331' ' ' PRO . 0.0 OUTLIER -75.11 -48.34 24.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 335' ' ' ALA . . . . . 0.623 ' HB1' HD22 ' A' ' 324' ' ' LEU . . . -65.77 -34.01 77.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.232 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . 0.483 ' CB ' ' O ' ' A' ' 332' ' ' ALA . 5.2 tt0 -71.58 -47.82 52.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 110.334 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.87 -46.11 83.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 109.226 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 338' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 334' ' ' LYS . 55.6 mt -65.06 -47.67 86.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 109.309 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 339' ' ' ALA . . . . . 0.511 ' CB ' ' O ' ' A' ' 335' ' ' ALA . . . -56.22 -44.74 79.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -69.52 -44.99 69.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.981 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -59.74 -36.36 76.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.279 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 342' ' ' MET . . . . . 0.595 ' SD ' HD22 ' A' ' 309' ' ' LEU . 82.9 mtp -65.48 -49.42 69.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 111.035 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 343' ' ' ILE . . . . . . . . . . . . . 31.7 mt -60.17 -39.33 80.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 4.6 m -67.67 -29.06 68.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.391 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -83.09 -9.15 59.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 90.15 -30.47 5.9 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.541 1.151 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 347' ' ' ARG . . . . . 0.434 ' CD ' ' OE1' ' A' ' 306' ' ' GLU . 48.3 mtt-85 -38.7 -48.63 1.5 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 0.787 . . . . 0.0 110.297 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 13.6 ttp -103.02 155.65 18.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 110.988 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -122.76 131.63 53.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.348 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 135.91 -162.12 24.93 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.507 1.13 . . . . 0.0 110.954 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 351' ' ' PHE . . . . . . . . . . . . . 11.0 p90 -146.15 150.06 35.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 0.799 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 352' ' ' ILE . . . . . 0.771 HG12 HG12 ' A' ' 359' ' ' VAL . 5.2 mt -94.32 111.41 25.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.335 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 353' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 357' ' ' GLY . 58.4 t0 -72.01 114.1 9.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -83.86 -17.86 39.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 110.289 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 37.9 mt -69.53 -40.33 79.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -110.52 -15.05 13.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.325 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 357' ' ' GLY . . . . . 0.566 ' O ' ' CE2' ' A' ' 321' ' ' PHE . . . 66.0 34.18 87.68 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.533 1.146 . . . . 0.0 110.968 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 358' ' ' ILE . . . . . 0.449 HG23 ' C ' ' A' ' 319' ' ' ILE . 89.7 mt -116.93 141.79 33.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 0.771 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 359' ' ' VAL . . . . . 0.898 HG21 HD12 ' A' ' 324' ' ' LEU . 29.2 m -83.14 140.18 16.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 360' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -113.18 110.6 20.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.597 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 361' ' ' PHE . . . . . 0.517 ' CD2' ' HA ' ' A' ' 313' ' ' SER . 15.2 m-85 -93.26 147.13 23.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 111.01 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.29 -179.98 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 302' ' ' ARG . . . . . 0.435 ' HB2' ' NH1' ' A' ' 302' ' ' ARG . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -58.7 -34.88 71.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 304' ' ' VAL . . . . . 0.506 HG12 HD21 ' A' ' 308' ' ' ASN . 75.6 t -68.03 -45.98 82.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 305' ' ' ILE . . . . . 0.618 HG21 HD13 ' A' ' 338' ' ' ILE . 1.2 mp -59.76 -38.3 75.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 306' ' ' GLU . . . . . 0.434 ' OE1' ' NH1' ' A' ' 347' ' ' ARG . 22.8 mt-10 -63.27 -50.81 68.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.326 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 52.0 t60 -63.15 -43.57 97.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.609 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 308' ' ' ASN . . . . . 0.506 HD21 HG12 ' A' ' 304' ' ' VAL . 59.5 m-20 -54.61 -39.48 67.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 309' ' ' LEU . . . . . 0.462 ' CD2' ' HA ' ' A' ' 339' ' ' ALA . 1.3 mp -63.82 -50.18 69.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 310' ' ' LEU . . . . . 0.642 HD21 ' CE ' ' A' ' 342' ' ' MET . 0.2 OUTLIER -63.75 -45.09 91.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.1 -36.9 80.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.999 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -70.44 -28.78 65.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 313' ' ' SER . . . . . . . . . . . . . 4.9 p -63.25 -39.23 94.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 110.024 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 314' ' ' LYS . . . . . . . . . . . . . 40.9 mtmt -80.54 -27.82 37.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 109.278 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 1.6 mt -81.17 -86.29 0.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -73.17 154.57 40.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 317' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -92.28 -41.56 10.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -147.4 135.9 21.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.435 1.085 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 319' ' ' ILE . . . . . 0.519 HG23 HD12 ' A' ' 324' ' ' LEU . 4.6 tt -146.44 146.67 18.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 320' ' ' THR . . . . . 0.552 HG22 HG12 ' A' ' 358' ' ' ILE . 82.2 p -86.19 160.16 19.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 110.395 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 321' ' ' PHE . . . . . 0.739 ' CB ' ' HB1' ' A' ' 332' ' ' ALA . 42.0 m-85 -55.85 -39.09 70.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -62.69 -49.22 75.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.298 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -69.45 -46.91 65.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 110.297 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 324' ' ' LEU . . . . . 1.019 ' CD2' HD11 ' A' ' 328' ' ' LEU . 4.2 tt -57.22 -43.65 83.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.288 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 325' ' ' GLY . . . . . 0.491 ' CA ' ' O ' ' A' ' 330' ' ' ILE . . . -67.82 -32.51 77.88 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.503 1.127 . . . . 0.0 111.016 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -72.38 -25.77 61.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 0.767 . . . . 0.0 109.269 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 327' ' ' LEU . . . . . 0.426 HD12 ' O ' ' A' ' 327' ' ' LEU . 0.4 OUTLIER -75.28 -37.9 60.68 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.467 1.105 . . . . 0.0 109.288 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 328' ' ' LEU . . . . . 1.019 HD11 ' CD2' ' A' ' 324' ' ' LEU . 0.1 OUTLIER -95.1 -3.58 47.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.102 . . . . 0.0 109.297 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 75.65 1.16 3.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.298 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 330' ' ' ILE . . . . . 0.491 ' O ' ' CA ' ' A' ' 325' ' ' GLY . 5.5 pt -96.31 163.0 21.72 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 331' ' ' PRO . . . . . 0.465 ' HD2' ' CB ' ' A' ' 334' ' ' LYS . 18.4 Cg_endo -74.92 160.63 40.15 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.48 1.779 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 332' ' ' ALA . . . . . 0.739 ' HB1' ' CB ' ' A' ' 321' ' ' PHE . . . -58.98 -36.39 74.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.273 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -62.32 -36.99 83.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.443 1.089 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 334' ' ' LYS . . . . . 0.465 ' CB ' ' HD2' ' A' ' 331' ' ' PRO . 0.0 OUTLIER -75.17 -47.92 26.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 335' ' ' ALA . . . . . 0.508 ' HB1' HD22 ' A' ' 324' ' ' LEU . . . -64.62 -31.25 72.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 332' ' ' ALA . 6.6 tt0 -71.13 -47.11 59.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 14.1 mmtt -65.6 -46.07 80.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 338' ' ' ILE . . . . . 0.618 HD13 HG21 ' A' ' 305' ' ' ILE . 90.4 mt -63.86 -47.51 90.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 339' ' ' ALA . . . . . 0.462 ' HA ' ' CD2' ' A' ' 309' ' ' LEU . . . -56.58 -44.71 81.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.54 -42.55 67.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.007 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -59.81 -40.26 87.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.122 . . . . 0.0 110.285 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 342' ' ' MET . . . . . 0.642 ' CE ' HD21 ' A' ' 310' ' ' LEU . 44.1 mmm -62.89 -49.06 76.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 343' ' ' ILE . . . . . 0.581 HD11 ' HE3' ' A' ' 348' ' ' MET . 79.4 mt -68.01 -42.53 85.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 2.3 m -59.59 -29.61 68.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.401 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -90.99 -9.14 47.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.269 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 346' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 347' ' ' ARG . . . 90.18 -26.22 10.61 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.496 1.122 . . . . 0.0 111.006 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 347' ' ' ARG . . . . . 0.434 ' NH1' ' OE1' ' A' ' 306' ' ' GLU . 27.1 mtt180 -38.84 -34.76 0.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 0.742 . . . . 0.0 110.273 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 348' ' ' MET . . . . . 0.581 ' HE3' HD11 ' A' ' 343' ' ' ILE . 43.6 ttp -123.28 145.94 48.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -106.4 132.5 52.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.263 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 137.75 -174.46 21.83 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.51 1.131 . . . . 0.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 351' ' ' PHE . . . . . 0.43 ' CD1' ' C ' ' A' ' 351' ' ' PHE . 11.7 p90 -142.34 152.04 42.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 0.773 . . . . 0.0 110.979 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 35.8 mt -94.31 122.39 45.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 353' ' ' ASP . . . . . . . . . . . . . 54.5 t0 -84.2 110.06 18.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 109.322 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -84.0 -19.44 34.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 110.269 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 9.9 mm -65.91 -40.92 88.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 109.333 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -108.68 -15.01 14.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . 69.29 33.99 74.2 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.496 1.123 . . . . 0.0 111.026 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 358' ' ' ILE . . . . . 0.552 HG12 HG22 ' A' ' 320' ' ' THR . 41.7 mt -118.35 148.05 21.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 0.746 . . . . 0.0 109.29 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 359' ' ' VAL . . . . . . . . . . . . . 40.9 t -87.88 140.0 16.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 360' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -112.35 111.06 21.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.544 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 361' ' ' PHE . . . . . 0.625 ' HZ ' HD11 ' A' ' 324' ' ' LEU . 12.8 m-85 -99.45 146.27 26.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 -179.974 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 302' ' ' ARG . . . . . 0.495 ' HA ' HD12 ' A' ' 305' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -63.99 -41.46 97.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 304' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -59.36 -42.07 86.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 305' ' ' ILE . . . . . 0.552 ' HA ' HD22 ' A' ' 328' ' ' LEU . 12.3 mt -65.56 -41.94 91.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 306' ' ' GLU . . . . . 0.422 ' OE2' ' CD ' ' A' ' 347' ' ' ARG . 38.1 mt-10 -69.74 -40.58 76.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 110.312 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -65.86 -47.12 75.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.105 . . . . 0.0 109.565 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 308' ' ' ASN . . . . . 0.796 ' OD1' HD11 ' A' ' 327' ' ' LEU . 1.4 m-20 -58.91 -40.99 86.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 309' ' ' LEU . . . . . 0.791 HD21 HD21 ' A' ' 324' ' ' LEU . 0.5 OUTLIER -62.67 -47.54 83.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.107 . . . . 0.0 109.287 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 310' ' ' LEU . . . . . 0.632 HD21 ' O ' ' A' ' 347' ' ' ARG . 31.6 mt -67.81 -37.37 81.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 311' ' ' SER . . . . . 0.503 ' O ' HD12 ' A' ' 315' ' ' LEU . 0.5 OUTLIER -66.91 -40.39 87.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.959 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -71.58 -21.71 61.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 313' ' ' SER . . . . . 0.516 ' HA ' ' CG ' ' A' ' 361' ' ' PHE . 4.0 p -63.78 -35.92 82.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 110.013 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 314' ' ' LYS . . . . . 0.417 ' HG2' ' N ' ' A' ' 315' ' ' LEU . 0.0 OUTLIER -96.72 -33.4 11.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.242 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 315' ' ' LEU . . . . . 0.503 HD12 ' O ' ' A' ' 311' ' ' SER . 2.2 mt -73.26 -70.86 0.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -80.97 145.26 31.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 110.998 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 317' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -89.79 -30.02 18.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.564 1.165 . . . . 0.0 109.344 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -159.17 135.94 9.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 319' ' ' ILE . . . . . 0.88 ' O ' HG22 ' A' ' 359' ' ' VAL . 16.4 tt -146.29 147.17 18.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 320' ' ' THR . . . . . 0.555 HG23 ' H ' ' A' ' 323' ' ' GLU . 10.3 t -91.96 170.31 9.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.382 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 321' ' ' PHE . . . . . 0.494 ' HB3' ' HB1' ' A' ' 332' ' ' ALA . 25.1 m-85 -62.94 -32.14 73.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -68.18 -49.36 61.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 110.302 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 323' ' ' GLU . . . . . 0.555 ' H ' HG23 ' A' ' 320' ' ' THR . 67.8 mt-10 -72.26 -42.33 65.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 110.268 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 324' ' ' LEU . . . . . 0.836 HD22 HG21 ' A' ' 359' ' ' VAL . 12.9 tp -57.36 -42.84 82.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 325' ' ' GLY . . . . . 0.496 ' O ' ' N ' ' A' ' 330' ' ' ILE . . . -74.48 -33.16 56.74 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.535 1.147 . . . . 0.0 110.997 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -67.89 -28.52 67.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 0.743 . . . . 0.0 109.313 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 327' ' ' LEU . . . . . 0.796 HD11 ' OD1' ' A' ' 308' ' ' ASN . 0.8 OUTLIER -75.98 -42.03 49.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 328' ' ' LEU . . . . . 0.561 HD23 ' CB ' ' A' ' 308' ' ' ASN . 0.1 OUTLIER -90.27 3.8 52.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 329' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 325' ' ' GLY . 11.6 mt-10 65.83 7.95 4.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.305 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 330' ' ' ILE . . . . . 0.542 HG23 ' O ' ' A' ' 328' ' ' LEU . 4.6 pt -98.89 164.67 16.43 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 331' ' ' PRO . . . . . 0.469 ' HD2' ' HB ' ' A' ' 330' ' ' ILE . 18.4 Cg_endo -74.95 162.66 36.86 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.505 1.792 . . . . 0.0 111.048 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 332' ' ' ALA . . . . . 0.494 ' HB1' ' HB3' ' A' ' 321' ' ' PHE . . . -58.47 -44.41 89.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.58 1.175 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -55.46 -36.39 66.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 334' ' ' LYS . . . . . 0.523 ' HB3' HD12 ' A' ' 330' ' ' ILE . 0.8 OUTLIER -75.11 -47.58 27.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 335' ' ' ALA . . . . . 0.521 ' O ' ' HB2' ' A' ' 339' ' ' ALA . . . -63.33 -30.78 71.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 332' ' ' ALA . 7.3 tt0 -71.25 -48.4 51.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 110.314 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -70.53 -45.67 65.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 109.33 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 338' ' ' ILE . . . . . 0.515 ' CG1' ' O ' ' A' ' 334' ' ' LYS . 2.1 mm -60.95 -44.88 98.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.35 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 339' ' ' ALA . . . . . 0.521 ' HB2' ' O ' ' A' ' 335' ' ' ALA . . . -57.23 -45.17 84.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.84 -42.13 74.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 109.984 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.85 -36.53 77.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.255 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 342' ' ' MET . . . . . 0.552 ' HE2' ' HB3' ' A' ' 347' ' ' ARG . 4.7 mtp -66.37 -42.57 87.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 111.001 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 343' ' ' ILE . . . . . . . . . . . . . 53.9 mt -67.58 -45.71 84.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 109.267 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 1.9 m -60.17 -33.1 71.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.386 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -79.88 -8.3 59.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.326 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 86.07 -15.62 47.71 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 347' ' ' ARG . . . . . 0.632 ' O ' HD21 ' A' ' 310' ' ' LEU . 62.8 mtt-85 -48.88 -52.63 23.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 0.751 . . . . 0.0 110.31 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 348' ' ' MET . . . . . 0.447 ' HG2' ' N ' ' A' ' 349' ' ' ASN . 11.1 ttm -103.61 144.2 31.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.993 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 349' ' ' ASN . . . . . 0.447 ' N ' ' HG2' ' A' ' 348' ' ' MET . 0.8 OUTLIER -110.04 130.29 55.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 109.297 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 139.63 -157.49 25.21 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.495 1.122 . . . . 0.0 111.025 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 351' ' ' PHE . . . . . . . . . . . . . 19.7 p90 -146.12 154.22 41.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 0.778 . . . . 0.0 110.995 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 352' ' ' ILE . . . . . 0.786 HG12 HG12 ' A' ' 359' ' ' VAL . 9.8 mt -94.22 121.85 45.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 353' ' ' ASP . . . . . 0.436 ' O ' ' CA ' ' A' ' 357' ' ' GLY . 58.8 t0 -82.07 110.02 16.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -85.08 -18.53 34.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 56.7 mt -68.82 -40.49 81.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -110.93 -14.87 13.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 357' ' ' GLY . . . . . 0.436 ' CA ' ' O ' ' A' ' 353' ' ' ASP . . . 70.56 34.02 67.52 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.539 1.149 . . . . 0.0 111.0 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 358' ' ' ILE . . . . . . . . . . . . . 97.0 mt -117.32 142.35 31.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.481 0.753 . . . . 0.0 109.304 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 359' ' ' VAL . . . . . 0.88 HG22 ' O ' ' A' ' 319' ' ' ILE . 29.4 m -86.16 136.17 23.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 360' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -104.55 117.62 34.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.598 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 361' ' ' PHE . . . . . 0.702 ' CE2' HG22 ' A' ' 319' ' ' ILE . 22.9 m-85 -95.01 154.64 17.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 111.03 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.275 -179.995 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 302' ' ' ARG . . . . . 0.656 ' HA ' HD12 ' A' ' 305' ' ' ILE . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -64.68 -34.21 77.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 304' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -59.38 -42.21 86.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.577 1.173 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 305' ' ' ILE . . . . . 0.742 HG23 HD13 ' A' ' 328' ' ' LEU . 6.0 mt -65.47 -39.26 84.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -64.02 -42.08 97.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.293 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -70.85 -48.6 53.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.562 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 308' ' ' ASN . . . . . 0.478 ' HB3' ' CD2' ' A' ' 328' ' ' LEU . 1.4 m-80 -56.55 -39.17 72.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 309' ' ' LEU . . . . . 0.65 HD12 HG22 ' A' ' 305' ' ' ILE . 0.6 OUTLIER -62.83 -37.18 85.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 310' ' ' LEU . . . . . 0.507 HD21 ' O ' ' A' ' 347' ' ' ARG . 27.7 mt -74.08 -36.47 64.29 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 311' ' ' SER . . . . . 0.877 ' O ' HD12 ' A' ' 315' ' ' LEU . 0.5 OUTLIER -71.81 -44.8 63.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.008 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -60.82 -29.72 69.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 313' ' ' SER . . . . . 0.568 ' HA ' ' CD1' ' A' ' 361' ' ' PHE . 12.4 t -61.86 -44.84 96.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 0.0 110.044 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 314' ' ' LYS . . . . . . . . . . . . . 9.6 mtmm -101.44 35.13 2.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.157 . . . . 0.0 109.336 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 315' ' ' LEU . . . . . 0.877 HD12 ' O ' ' A' ' 311' ' ' SER . 4.9 mt -142.29 -67.09 0.39 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -86.24 120.26 27.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 317' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -56.72 -40.45 75.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -161.54 136.0 7.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.337 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 319' ' ' ILE . . . . . 0.411 ' CD1' ' HA ' ' A' ' 324' ' ' LEU . 5.3 tt -145.96 141.54 21.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 320' ' ' THR . . . . . . . . . . . . . 66.8 p -84.07 167.43 16.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 110.393 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 321' ' ' PHE . . . . . 0.795 ' CB ' ' HB1' ' A' ' 332' ' ' ALA . 51.6 m-85 -61.66 -32.25 72.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.132 . . . . 0.0 111.018 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -66.44 -49.53 66.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -71.86 -45.9 59.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.337 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 324' ' ' LEU . . . . . 0.967 ' CD2' HD11 ' A' ' 328' ' ' LEU . 4.5 tt -57.14 -42.82 81.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 325' ' ' GLY . . . . . 0.489 ' O ' ' N ' ' A' ' 330' ' ' ILE . . . -71.38 -32.61 64.88 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.514 1.134 . . . . 0.0 111.018 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -69.45 -26.94 64.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 0.775 . . . . 0.0 109.323 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 327' ' ' LEU . . . . . 0.459 HD12 ' O ' ' A' ' 327' ' ' LEU . 0.6 OUTLIER -75.7 -39.91 56.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 328' ' ' LEU . . . . . 0.967 HD11 ' CD2' ' A' ' 324' ' ' LEU . 0.1 OUTLIER -92.31 4.13 53.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 65.41 9.69 5.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.276 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 330' ' ' ILE . . . . . 0.585 HG23 ' O ' ' A' ' 328' ' ' LEU . 3.7 pt -103.71 162.43 20.0 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 331' ' ' PRO . . . . . 0.452 ' HD2' ' CB ' ' A' ' 334' ' ' LYS . 18.1 Cg_endo -75.05 160.27 40.19 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.488 1.783 . . . . 0.0 110.957 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 332' ' ' ALA . . . . . 0.795 ' HB1' ' CB ' ' A' ' 321' ' ' PHE . . . -58.32 -40.93 83.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.327 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -58.44 -35.21 71.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 334' ' ' LYS . . . . . 0.452 ' CB ' ' HD2' ' A' ' 331' ' ' PRO . 9.6 tptt -75.21 -48.17 24.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 335' ' ' ALA . . . . . 0.509 ' O ' ' CB ' ' A' ' 339' ' ' ALA . . . -63.84 -30.67 71.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 332' ' ' ALA . 11.4 tt0 -70.77 -47.28 60.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.327 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 7.7 mttt -65.13 -45.48 84.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.275 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 338' ' ' ILE . . . . . 0.508 HG22 ' CD1' ' A' ' 309' ' ' LEU . 66.7 mt -66.34 -45.83 88.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 339' ' ' ALA . . . . . 0.509 ' CB ' ' O ' ' A' ' 335' ' ' ALA . . . -56.89 -45.69 82.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.82 -39.87 69.52 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 110.021 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -63.83 -39.51 94.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.153 . . . . 0.0 110.36 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 342' ' ' MET . . . . . 0.403 ' HG3' HD13 ' A' ' 309' ' ' LEU . 34.1 mmm -62.74 -45.57 92.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 343' ' ' ILE . . . . . 0.535 HG13 ' HE2' ' A' ' 348' ' ' MET . 42.9 mt -68.13 -39.13 80.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 3.8 m -68.03 -26.99 66.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 110.419 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -87.5 -9.22 55.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 110.351 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 89.81 -29.29 6.44 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.451 1.094 . . . . 0.0 110.993 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 347' ' ' ARG . . . . . 0.507 ' O ' HD21 ' A' ' 310' ' ' LEU . 69.6 mtt-85 -39.26 -36.08 0.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 0.754 . . . . 0.0 110.258 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 348' ' ' MET . . . . . 0.535 ' HE2' HG13 ' A' ' 343' ' ' ILE . 23.1 ttp -117.5 160.56 21.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -125.66 132.12 52.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 134.08 -164.15 24.5 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.493 1.12 . . . . 0.0 110.993 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 351' ' ' PHE . . . . . . . . . . . . . 19.7 p90 -144.35 160.29 41.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 0.755 . . . . 0.0 110.981 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 352' ' ' ILE . . . . . 0.44 HD11 ' CB ' ' A' ' 339' ' ' ALA . 11.5 mt -104.08 125.56 58.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.11 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 353' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -86.25 109.88 19.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -88.82 -15.14 35.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 10.5 mt -68.92 -40.31 80.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.421 1.075 . . . . 0.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -107.85 -14.5 14.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . 74.03 30.88 60.51 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 358' ' ' ILE . . . . . . . . . . . . . 80.1 mt -113.15 149.1 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 0.751 . . . . 0.0 109.281 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 359' ' ' VAL . . . . . . . . . . . . . 44.3 t -92.6 116.11 33.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 360' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -83.86 111.38 19.16 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.487 1.117 . . . . 0.0 109.595 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 361' ' ' PHE . . . . . 0.568 ' CD1' ' HA ' ' A' ' 313' ' ' SER . 4.4 m-85 -99.81 152.32 20.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 110.298 179.978 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 302' ' ' ARG . . . . . 0.607 ' HA ' HD12 ' A' ' 305' ' ' ILE . 2.4 tpt180 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.341 -0.244 . . . . 0.0 110.341 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -69.83 -37.49 76.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 304' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -59.37 -42.48 87.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 305' ' ' ILE . . . . . 0.607 HD12 ' HA ' ' A' ' 302' ' ' ARG . 5.4 mt -64.81 -41.47 92.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.367 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -66.31 -42.26 88.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 110.316 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -71.13 -46.23 62.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.642 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 308' ' ' ASN . . . . . 0.473 ' HB3' ' CD2' ' A' ' 328' ' ' LEU . 7.1 m-80 -56.37 -32.92 65.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 309' ' ' LEU . . . . . 0.716 HD13 HG22 ' A' ' 338' ' ' ILE . 1.9 mt -69.09 -34.24 74.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 310' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 310' ' ' LEU . 14.1 mt -74.26 -42.1 60.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 311' ' ' SER . . . . . 0.51 ' C ' HD12 ' A' ' 315' ' ' LEU . 0.6 OUTLIER -73.83 -44.42 55.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.044 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 312' ' ' ALA . . . . . 0.424 ' CB ' ' O ' ' A' ' 308' ' ' ASN . . . -59.99 -22.84 63.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 313' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 362' ' ' GLU . 0.9 OUTLIER -69.66 -45.08 69.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 110.034 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 314' ' ' LYS . . . . . . . . . . . . . 7.4 mtmp? -101.13 35.56 2.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 315' ' ' LEU . . . . . 0.51 HD12 ' C ' ' A' ' 311' ' ' SER . 7.4 mt -133.5 -70.23 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -84.13 135.22 34.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 111.006 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 317' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -61.24 -45.02 96.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -163.3 135.99 5.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 319' ' ' ILE . . . . . . . . . . . . . 16.6 tt -146.17 143.98 20.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 320' ' ' THR . . . . . 0.521 HG23 ' H ' ' A' ' 323' ' ' GLU . 10.9 t -83.62 166.98 17.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.433 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 321' ' ' PHE . . . . . 0.776 ' CB ' ' HB1' ' A' ' 332' ' ' ALA . 39.3 m-85 -60.05 -39.13 84.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.992 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -59.67 -50.08 75.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 110.296 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 323' ' ' GLU . . . . . 0.521 ' H ' HG23 ' A' ' 320' ' ' THR . 27.5 mm-40 -72.99 -47.56 44.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 110.289 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 324' ' ' LEU . . . . . 0.708 HD13 HD11 ' A' ' 328' ' ' LEU . 1.1 tm? -56.94 -44.41 82.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.332 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 325' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 330' ' ' ILE . . . -69.84 -32.92 70.3 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -66.95 -29.29 69.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 0.77 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.27 -39.36 59.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 328' ' ' LEU . . . . . 0.708 HD11 HD13 ' A' ' 324' ' ' LEU . 0.2 OUTLIER -87.81 3.16 49.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 65.48 12.13 7.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 330' ' ' ILE . . . . . 0.624 HG23 ' O ' ' A' ' 328' ' ' LEU . 2.9 pt -109.75 162.27 20.95 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 331' ' ' PRO . . . . . 0.455 ' HD2' ' CB ' ' A' ' 334' ' ' LYS . 18.5 Cg_endo -74.95 160.74 39.92 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.487 1.783 . . . . 0.0 111.021 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 332' ' ' ALA . . . . . 0.776 ' HB1' ' CB ' ' A' ' 321' ' ' PHE . . . -59.27 -35.86 74.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -62.73 -37.84 88.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 334' ' ' LYS . . . . . 0.455 ' CB ' ' HD2' ' A' ' 331' ' ' PRO . 0.1 OUTLIER -74.18 -47.78 33.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 335' ' ' ALA . . . . . 0.504 ' O ' ' CB ' ' A' ' 339' ' ' ALA . . . -64.36 -31.12 72.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 332' ' ' ALA . 11.0 tt0 -69.68 -47.27 63.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.309 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 29.4 mmtt -66.56 -45.68 78.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 109.351 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 338' ' ' ILE . . . . . 0.716 HG22 HD13 ' A' ' 309' ' ' LEU . 67.8 mt -65.16 -46.38 91.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 339' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 335' ' ' ALA . . . -56.82 -44.78 82.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.18 -43.26 67.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.009 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.99 -40.82 90.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 110.307 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 342' ' ' MET . . . . . . . . . . . . . 1.9 mmm -62.9 -48.24 79.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.973 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 343' ' ' ILE . . . . . 0.426 HG13 ' CE ' ' A' ' 348' ' ' MET . 34.7 mt -64.56 -39.71 86.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 2.9 m -70.24 -27.42 64.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.391 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -83.79 -8.94 59.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.264 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 89.8 -29.53 6.3 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.532 1.145 . . . . 0.0 110.999 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 347' ' ' ARG . . . . . . . . . . . . . 72.1 mtt-85 -39.08 -50.95 1.87 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 0.751 . . . . 0.0 110.343 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 348' ' ' MET . . . . . 0.426 ' CE ' HG13 ' A' ' 343' ' ' ILE . 9.6 ttp -98.61 172.51 7.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.537 1.148 . . . . 0.0 110.964 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -137.91 131.87 31.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 133.87 -162.84 24.51 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.511 1.132 . . . . 0.0 110.996 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 351' ' ' PHE . . . . . . . . . . . . . 12.0 p90 -145.28 159.46 42.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 0.771 . . . . 0.0 111.029 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 12.5 mt -102.86 133.47 46.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 353' ' ' ASP . . . . . 0.427 ' HB2' ' CD2' ' A' ' 360' ' ' HIS . 66.1 t0 -95.91 109.76 22.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -85.62 -17.65 35.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.314 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 25.8 mt -66.58 -42.96 90.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -106.03 -11.76 16.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 109.354 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 357' ' ' GLY . . . . . 0.428 ' O ' ' CE2' ' A' ' 321' ' ' PHE . . . 69.09 34.0 75.26 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.513 1.133 . . . . 0.0 110.973 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 358' ' ' ILE . . . . . . . . . . . . . 61.1 mt -116.24 146.05 21.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.484 0.755 . . . . 0.0 109.318 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 359' ' ' VAL . . . . . 0.638 ' CG2' ' CE1' ' A' ' 321' ' ' PHE . 48.7 t -94.15 114.22 30.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 360' ' ' HIS . . . . . 0.427 ' CD2' ' HB2' ' A' ' 353' ' ' ASP . 25.6 m-70 -84.41 110.83 18.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.622 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 361' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -100.51 146.93 26.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 110.987 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 362' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 313' ' ' SER . 4.3 pt-20 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.326 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 290' ' ' SER . . . . . . . . . . . . . 23.2 t -74.76 94.26 2.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 0.748 . . . . 0.0 109.98 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 291' ' ' SER . . . . . . . . . . . . . 2.6 m -103.38 152.1 21.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.989 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 292' ' ' GLY . . . . . . . . . . . . . . . -46.27 -79.74 0.06 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.453 1.096 . . . . 0.0 111.018 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 293' ' ' SER . . . . . . . . . . . . . 12.2 m 60.37 84.44 0.12 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 0.796 . . . . 0.0 109.986 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 294' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.59 104.5 14.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.054 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . -82.03 -89.07 0.65 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.516 1.135 . . . . 0.0 111.004 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 296' ' ' GLY . . . . . . . . . . . . . . . -116.67 128.03 7.73 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 297' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.88 -53.49 0.08 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.487 0.757 . . . . 0.0 109.991 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 298' ' ' SER . . . . . . . . . . . . . 84.8 p -126.56 132.81 51.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.097 . . . . 0.0 110.003 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 299' ' ' ILE . . . . . 0.458 ' O ' HG22 ' A' ' 299' ' ' ILE . 1.6 mt -103.77 28.65 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.247 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 300' ' ' LEU . . . . . 0.699 HD21 HD11 ' A' ' 305' ' ' ILE . 0.2 OUTLIER -45.52 169.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 301' ' ' ASP . . . . . 0.553 ' N ' HD12 ' A' ' 300' ' ' LEU . 1.1 t70 -58.76 107.49 0.53 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 302' ' ' ARG . . . . . 0.583 ' HA ' HD12 ' A' ' 305' ' ' ILE . 0.0 OUTLIER -72.11 -27.2 62.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.296 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -65.69 -36.46 83.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.247 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 304' ' ' VAL . . . . . 0.476 ' CG2' ' HB3' ' A' ' 301' ' ' ASP . 70.4 t -63.12 -46.23 96.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 305' ' ' ILE . . . . . 0.699 HD11 HD21 ' A' ' 300' ' ' LEU . 5.3 mt -60.18 -44.65 95.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -57.79 -48.41 79.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.361 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 25.8 t60 -69.66 -45.4 68.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.614 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 308' ' ' ASN . . . . . 0.507 ' CB ' ' CD2' ' A' ' 328' ' ' LEU . 6.9 m-20 -54.94 -39.01 68.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 309' ' ' LEU . . . . . 0.493 HD21 ' HA ' ' A' ' 339' ' ' ALA . 1.3 tp -62.83 -40.02 96.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.419 1.075 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 310' ' ' LEU . . . . . 0.56 HD21 ' O ' ' A' ' 347' ' ' ARG . 18.9 mt -74.15 -37.7 63.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 311' ' ' SER . . . . . 0.434 ' C ' HD12 ' A' ' 315' ' ' LEU . 0.3 OUTLIER -65.05 -45.1 86.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.995 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -66.26 -35.54 80.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 313' ' ' SER . . . . . 0.405 ' HA ' ' CG ' ' A' ' 361' ' ' PHE . 25.8 p -62.67 -25.25 68.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.568 1.168 . . . . 0.0 110.046 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 314' ' ' LYS . . . . . . . . . . . . . 35.6 mtmt -100.17 -13.11 19.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 315' ' ' LEU . . . . . 0.434 HD12 ' C ' ' A' ' 311' ' ' SER . 7.4 mt -101.56 -82.19 0.47 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -70.25 118.25 12.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.973 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 317' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.1 -41.4 78.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.35 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -152.92 135.85 15.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.272 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 319' ' ' ILE . . . . . 0.587 HG21 HD13 ' A' ' 324' ' ' LEU . 20.2 tt -146.23 147.06 18.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.275 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 320' ' ' THR . . . . . 0.784 HG22 HG12 ' A' ' 358' ' ' ILE . 70.6 p -85.12 163.26 18.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 110.424 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 321' ' ' PHE . . . . . 0.675 ' CB ' ' HB1' ' A' ' 332' ' ' ALA . 48.1 m-85 -58.93 -36.36 74.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -62.42 -49.21 76.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 110.306 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 323' ' ' GLU . . . . . 0.417 ' HB3' HD11 ' A' ' 319' ' ' ILE . 12.8 mm-40 -72.23 -44.73 62.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.163 . . . . 0.0 110.327 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 324' ' ' LEU . . . . . 0.587 HD13 HG21 ' A' ' 319' ' ' ILE . 21.3 tp -57.3 -41.96 80.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . 0.468 ' O ' ' N ' ' A' ' 330' ' ' ILE . . . -69.82 -32.3 70.28 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -70.11 -28.19 65.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 0.754 . . . . 0.0 109.266 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 327' ' ' LEU . . . . . 0.47 HD12 ' O ' ' A' ' 327' ' ' LEU . 0.4 OUTLIER -75.57 -39.9 57.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 328' ' ' LEU . . . . . 0.617 ' O ' HG23 ' A' ' 330' ' ' ILE . 0.1 OUTLIER -92.1 2.54 56.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.079 . . . . 0.0 109.329 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 64.99 10.1 5.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.328 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 330' ' ' ILE . . . . . 0.617 HG23 ' O ' ' A' ' 328' ' ' LEU . 2.9 pt -104.19 164.22 15.74 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 331' ' ' PRO . . . . . 0.444 ' HD2' ' HB ' ' A' ' 330' ' ' ILE . 18.4 Cg_endo -74.98 157.89 42.59 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.511 1.795 . . . . 0.0 111.034 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 332' ' ' ALA . . . . . 0.675 ' HB1' ' CB ' ' A' ' 321' ' ' PHE . . . -58.72 -32.8 69.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -63.24 -42.99 99.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 334' ' ' LYS . . . . . 0.49 ' O ' ' CG1' ' A' ' 338' ' ' ILE . 8.3 tttt -72.03 -47.4 52.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 335' ' ' ALA . . . . . . . . . . . . . . . -63.83 -31.01 72.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 332' ' ' ALA . 9.0 tt0 -71.05 -47.43 58.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.286 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 3.5 mmtp -69.35 -45.27 69.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 338' ' ' ILE . . . . . 0.49 ' CG1' ' O ' ' A' ' 334' ' ' LYS . 2.0 mm -60.46 -47.68 91.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 109.285 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 339' ' ' ALA . . . . . 0.493 ' HA ' HD21 ' A' ' 309' ' ' LEU . . . -58.06 -45.17 87.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.35 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.74 -42.28 82.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.009 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -63.11 -37.6 87.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.297 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 342' ' ' MET . . . . . 0.483 ' HG3' HD23 ' A' ' 309' ' ' LEU . 37.5 mmm -63.49 -41.63 98.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.996 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 343' ' ' ILE . . . . . . . . . . . . . 29.7 mt -65.19 -42.61 94.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 2.9 m -67.78 -32.64 73.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 110.394 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -79.89 -6.05 56.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 110.297 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 81.92 -7.6 62.45 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.536 1.148 . . . . 0.0 111.007 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 347' ' ' ARG . . . . . 0.56 ' O ' HD21 ' A' ' 310' ' ' LEU . 10.3 mtp180 -56.26 -45.17 80.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 0.776 . . . . 0.0 110.316 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 348' ' ' MET . . . . . 0.433 ' HG2' ' N ' ' A' ' 349' ' ' ASN . 13.3 ttm -112.55 142.59 44.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 111.038 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 349' ' ' ASN . . . . . 0.433 ' N ' ' HG2' ' A' ' 348' ' ' MET . 0.7 OUTLIER -106.29 131.03 54.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 134.72 -156.66 22.59 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 351' ' ' PHE . . . . . . . . . . . . . 36.4 p90 -146.03 164.98 30.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 0.754 . . . . 0.0 111.009 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 13.2 mt -104.18 127.85 58.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 0.0 109.345 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 353' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -89.88 109.99 20.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -88.24 -14.36 38.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.312 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 10.0 mt -70.31 -42.36 78.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.329 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -107.39 -13.12 15.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 357' ' ' GLY . . . . . 0.417 ' O ' ' CE2' ' A' ' 321' ' ' PHE . . . 71.3 30.23 67.4 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.527 1.142 . . . . 0.0 110.963 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 358' ' ' ILE . . . . . 0.784 HG12 HG22 ' A' ' 320' ' ' THR . 48.3 mt -112.89 146.57 17.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.55 0.794 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 359' ' ' VAL . . . . . . . . . . . . . 50.0 t -90.5 119.72 38.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 360' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -87.43 110.85 20.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.593 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 361' ' ' PHE . . . . . 0.405 ' CG ' ' HA ' ' A' ' 313' ' ' SER . 12.3 m-85 -101.44 152.25 20.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.959 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -81.13 142.37 33.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 110.3 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 363' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -110.29 143.54 40.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.413 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 364' ' ' ARG . . . . . . . . . . . . . 68.0 mtt180 -54.1 136.01 42.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.296 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 365' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 60.15 77.21 0.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 110.299 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 366' ' ' ALA . . . . . . . . . . . . . . . -151.77 151.83 31.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -142.12 -59.64 0.46 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.008 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 368' ' ' GLY . . . . . . . . . . . . . . . 144.25 -144.09 12.98 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.524 1.14 . . . . 0.0 110.976 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 369' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 163.68 34.82 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.465 1.771 . . . . 0.0 111.008 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.54 111.17 3.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.976 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 371' ' ' SER . . . . . . . . . . . . . 3.3 t -72.88 142.69 47.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.168 . . . . 0.0 110.015 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 372' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.499 1.125 . . . . 0.0 111.012 179.958 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 290' ' ' SER . . . . . . . . . . . . . 69.3 m -152.16 -58.15 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 0.737 . . . . 0.0 110.021 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 291' ' ' SER . . . . . . . . . . . . . 78.0 p -130.93 158.56 39.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.017 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 292' ' ' GLY . . . . . . . . . . . . . . . -151.6 64.36 0.38 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.477 1.111 . . . . 0.0 111.036 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 293' ' ' SER . . . . . . . . . . . . . 13.2 m 56.59 165.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 0.781 . . . . 0.0 109.986 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 294' ' ' SER . . . . . . . . . . . . . 3.4 m -160.21 149.38 17.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.98 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 139.21 -171.82 23.49 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.481 1.113 . . . . 0.0 110.97 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 296' ' ' GLY . . . . . . . . . . . . . . . -91.26 62.84 2.79 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 297' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -174.42 -57.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 0.758 . . . . 0.0 109.991 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 298' ' ' SER . . . . . . . . . . . . . 3.0 m -94.28 81.29 4.01 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.465 1.103 . . . . 0.0 109.968 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 299' ' ' ILE . . . . . . . . . . . . . 1.1 mt -119.43 108.74 24.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 300' ' ' LEU . . . . . 0.403 ' N ' ' CD2' ' A' ' 300' ' ' LEU . 0.6 OUTLIER -57.77 96.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.0 109.264 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 301' ' ' ASP . . . . . 0.531 ' HB3' HG23 ' A' ' 304' ' ' VAL . 10.2 m-20 -88.02 108.37 19.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.334 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 302' ' ' ARG . . . . . 0.47 ' HD2' ' CD1' ' A' ' 338' ' ' ILE . 0.0 OUTLIER -67.07 -36.86 82.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 110.315 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -67.85 -36.31 80.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 304' ' ' VAL . . . . . 0.531 HG23 ' HB3' ' A' ' 301' ' ' ASP . 70.1 t -69.39 -46.37 76.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 305' ' ' ILE . . . . . 0.524 HG22 HG21 ' A' ' 338' ' ' ILE . 10.3 mt -60.45 -38.85 79.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -57.65 -48.62 78.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.318 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 21.2 t60 -70.87 -42.98 69.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.551 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 308' ' ' ASN . . . . . 0.488 ' CB ' HD23 ' A' ' 328' ' ' LEU . 9.0 m-20 -57.96 -38.99 77.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 309' ' ' LEU . . . . . 0.471 ' CD2' ' HA ' ' A' ' 339' ' ' ALA . 1.3 mp -62.76 -39.34 93.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 310' ' ' LEU . . . . . . . . . . . . . 23.5 mt -72.3 -41.47 66.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 311' ' ' SER . . . . . 0.572 ' O ' HD12 ' A' ' 315' ' ' LEU . 16.5 m -63.49 -45.06 92.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.975 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -69.37 -39.49 78.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 313' ' ' SER . . . . . 0.458 ' HA ' ' CG ' ' A' ' 361' ' ' PHE . 17.1 t -61.14 -26.56 67.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.985 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 314' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -94.91 -17.67 21.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 315' ' ' LEU . . . . . 0.572 HD12 ' O ' ' A' ' 311' ' ' SER . 6.5 mt -93.34 -87.85 0.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -59.15 153.85 17.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 110.978 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 317' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -85.79 -44.33 12.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.274 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -154.25 136.77 15.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 319' ' ' ILE . . . . . . . . . . . . . 18.1 tt -146.26 142.0 21.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 320' ' ' THR . . . . . 0.436 HG22 HG12 ' A' ' 358' ' ' ILE . 1.6 p -79.12 162.74 25.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.409 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 321' ' ' PHE . . . . . 0.743 ' HB3' ' HB1' ' A' ' 332' ' ' ALA . 71.7 m-85 -56.47 -39.01 72.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 111.003 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -61.16 -49.18 78.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.566 1.166 . . . . 0.0 110.308 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -72.01 -44.08 64.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.317 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 324' ' ' LEU . . . . . 0.567 ' O ' HD12 ' A' ' 328' ' ' LEU . 23.9 tp -57.32 -42.47 81.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . 0.469 ' O ' ' N ' ' A' ' 330' ' ' ILE . . . -74.1 -32.74 58.13 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.483 1.115 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -66.93 -29.1 68.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 0.773 . . . . 0.0 109.333 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 327' ' ' LEU . . . . . 0.487 HD12 ' O ' ' A' ' 327' ' ' LEU . 0.3 OUTLIER -75.72 -41.94 52.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.157 . . . . 0.0 109.261 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 328' ' ' LEU . . . . . 0.625 ' O ' HG23 ' A' ' 330' ' ' ILE . 0.1 OUTLIER -87.59 3.68 46.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.153 . . . . 0.0 109.293 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 64.9 10.02 5.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.288 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 330' ' ' ILE . . . . . 0.625 HG23 ' O ' ' A' ' 328' ' ' LEU . 2.6 pt -105.46 162.72 18.88 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 331' ' ' PRO . . . . . 0.478 ' HD2' ' CB ' ' A' ' 334' ' ' LYS . 18.3 Cg_endo -75.03 159.66 40.99 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.492 1.785 . . . . 0.0 110.999 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 332' ' ' ALA . . . . . 0.743 ' HB1' ' HB3' ' A' ' 321' ' ' PHE . . . -58.32 -36.94 74.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -61.83 -35.93 79.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 334' ' ' LYS . . . . . 0.478 ' CB ' ' HD2' ' A' ' 331' ' ' PRO . 0.0 OUTLIER -75.19 -47.97 25.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 335' ' ' ALA . . . . . 0.5 ' O ' ' CB ' ' A' ' 339' ' ' ALA . . . -64.33 -30.76 71.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -71.12 -47.11 59.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.341 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 28.5 tptt -66.3 -45.88 78.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 338' ' ' ILE . . . . . 0.524 HG21 HG22 ' A' ' 305' ' ' ILE . 90.1 mt -64.65 -47.3 89.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 339' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 335' ' ' ALA . . . -56.31 -43.79 79.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.78 -44.87 65.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 110.001 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.9 -35.64 75.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.328 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 342' ' ' MET . . . . . . . . . . . . . 9.2 mtp -62.61 -50.04 72.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 343' ' ' ILE . . . . . . . . . . . . . 35.7 mt -67.82 -37.49 78.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 1.8 m -62.19 -40.0 94.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.407 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -81.21 -7.26 59.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 110.337 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 84.85 -11.87 58.7 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.544 1.153 . . . . 0.0 110.958 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 347' ' ' ARG . . . . . . . . . . . . . 14.7 mtt-85 -48.19 -48.8 34.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 0.753 . . . . 0.0 110.276 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 39.7 ttp -106.25 152.43 23.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 111.014 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -110.1 133.5 53.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 130.73 -165.84 22.72 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.528 1.142 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 351' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -146.19 158.15 43.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 0.741 . . . . 0.0 110.979 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 28.1 mt -97.83 126.4 50.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 353' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -89.53 109.91 20.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -84.72 -20.39 31.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.446 1.091 . . . . 0.0 110.299 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 34.6 mt -66.85 -40.77 86.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.27 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -106.57 -14.74 14.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . 68.35 33.37 77.4 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.462 1.101 . . . . 0.0 111.016 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 358' ' ' ILE . . . . . 0.436 HG12 HG22 ' A' ' 320' ' ' THR . 58.9 mt -116.85 144.38 24.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.547 0.792 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 359' ' ' VAL . . . . . . . . . . . . . 69.0 t -90.09 122.48 41.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.33 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 360' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -93.86 111.02 22.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.572 1.17 . . . . 0.0 109.558 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 361' ' ' PHE . . . . . 0.458 ' CG ' ' HA ' ' A' ' 313' ' ' SER . 12.2 m-85 -99.66 156.46 17.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -80.38 145.67 31.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 0.0 110.319 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 363' ' ' THR . . . . . . . . . . . . . 1.5 t -111.91 147.0 36.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.37 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 364' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -45.49 128.75 8.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 365' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 55.27 95.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.304 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 366' ' ' ALA . . . . . . . . . . . . . . . -159.26 153.36 23.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 41.84 84.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.993 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 368' ' ' GLY . . . . . . . . . . . . . . . 56.94 -152.26 24.13 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 369' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 104.06 1.84 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.508 1.794 . . . . 0.0 111.042 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 5.5 t -93.08 158.45 15.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 110.0 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 371' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -149.68 -58.36 0.2 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.005 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 372' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 179.995 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 290' ' ' SER . . . . . . . . . . . . . 78.1 p -172.72 81.39 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 0.771 . . . . 0.0 109.988 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 291' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -144.38 -57.99 0.37 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 110.015 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 292' ' ' GLY . . . . . . . . . . . . . . . 134.56 107.01 0.92 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.463 1.102 . . . . 0.0 111.037 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 293' ' ' SER . . . . . . . . . . . . . 1.6 m 64.68 161.76 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 0.773 . . . . 0.0 109.964 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 294' ' ' SER . . . . . . . . . . . . . 3.8 m 61.31 154.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.971 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . -68.75 -86.26 0.1 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.496 1.123 . . . . 0.0 110.986 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 296' ' ' GLY . . . . . . . . . . . . . . . 179.98 55.93 0.08 OUTLIER Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 297' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.6 114.98 1.02 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 0.768 . . . . 0.0 109.989 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 298' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.42 161.15 9.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.967 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 299' ' ' ILE . . . . . 0.561 ' O ' HG22 ' A' ' 299' ' ' ILE . 32.2 mm -111.79 26.98 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 300' ' ' LEU . . . . . 0.694 ' O ' HD12 ' A' ' 300' ' ' LEU . 1.3 pp 37.44 77.55 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 301' ' ' ASP . . . . . 0.575 ' HB3' HG23 ' A' ' 304' ' ' VAL . 0.3 OUTLIER -63.99 107.91 1.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 302' ' ' ARG . . . . . . . . . . . . . 5.9 tpp85 -58.8 -32.01 68.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.35 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -68.84 -32.0 71.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.252 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 304' ' ' VAL . . . . . 0.575 HG23 ' HB3' ' A' ' 301' ' ' ASP . 50.3 t -71.91 -46.42 60.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 109.344 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 305' ' ' ILE . . . . . 0.817 HG23 HD13 ' A' ' 328' ' ' LEU . 4.7 mt -60.05 -43.09 91.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 306' ' ' GLU . . . . . 0.457 ' O ' ' HE3' ' A' ' 342' ' ' MET . 0.9 OUTLIER -61.95 -44.48 96.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 110.323 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 26.8 t60 -69.02 -48.77 62.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.622 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 308' ' ' ASN . . . . . 0.473 ' HB3' ' CD2' ' A' ' 328' ' ' LEU . 1.2 m-80 -54.83 -38.49 67.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 309' ' ' LEU . . . . . 0.704 HD13 HG22 ' A' ' 338' ' ' ILE . 0.9 OUTLIER -62.76 -38.63 91.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 310' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 310' ' ' LEU . 22.3 mt -73.35 -38.16 65.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 311' ' ' SER . . . . . 0.837 ' O ' HD12 ' A' ' 315' ' ' LEU . 0.8 OUTLIER -68.37 -45.06 73.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.054 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -65.91 -24.43 66.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 313' ' ' SER . . . . . 0.484 ' HA ' ' CG ' ' A' ' 361' ' ' PHE . 11.7 t -67.77 -43.03 80.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.034 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 314' ' ' LYS . . . . . . . . . . . . . 28.1 mtmt -101.92 35.23 2.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.26 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 315' ' ' LEU . . . . . 0.837 HD12 ' O ' ' A' ' 311' ' ' SER . 6.3 mt -137.29 -69.42 0.46 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.12 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -79.61 154.34 28.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.15 . . . . 0.0 110.985 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 317' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -82.52 -38.82 23.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.247 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -166.42 135.71 3.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 319' ' ' ILE . . . . . 0.496 HD11 ' N ' ' A' ' 324' ' ' LEU . 1.4 tt -146.55 143.24 20.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 320' ' ' THR . . . . . 0.565 HG23 ' H ' ' A' ' 323' ' ' GLU . 5.4 t -86.31 168.98 13.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 110.418 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 321' ' ' PHE . . . . . 0.879 ' CB ' ' HB1' ' A' ' 332' ' ' ALA . 29.8 m-85 -61.31 -39.12 89.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 111.027 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -59.4 -49.05 79.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.317 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 323' ' ' GLU . . . . . 0.565 ' H ' HG23 ' A' ' 320' ' ' THR . 71.6 mm-40 -70.94 -48.19 54.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.309 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 324' ' ' LEU . . . . . 0.949 ' CD2' HD11 ' A' ' 328' ' ' LEU . 4.1 tt -57.21 -42.51 81.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . 0.485 ' O ' ' N ' ' A' ' 330' ' ' ILE . . . -68.37 -32.32 75.45 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.514 1.134 . . . . 0.0 110.976 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -71.34 -26.19 62.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 0.792 . . . . 0.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 327' ' ' LEU . . . . . 0.453 HD12 ' O ' ' A' ' 327' ' ' LEU . 0.6 OUTLIER -75.62 -38.59 58.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 328' ' ' LEU . . . . . 0.949 HD11 ' CD2' ' A' ' 324' ' ' LEU . 0.1 OUTLIER -95.09 3.92 54.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 65.55 9.05 5.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 110.293 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 330' ' ' ILE . . . . . 0.594 HG23 ' O ' ' A' ' 328' ' ' LEU . 3.8 pt -102.97 163.41 17.59 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 109.352 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 331' ' ' PRO . . . . . 0.48 ' HD2' ' CB ' ' A' ' 334' ' ' LYS . 18.3 Cg_endo -75.02 160.08 40.51 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.485 1.782 . . . . 0.0 110.954 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 332' ' ' ALA . . . . . 0.879 ' HB1' ' CB ' ' A' ' 321' ' ' PHE . . . -58.45 -37.79 76.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.265 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -61.12 -35.57 77.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.335 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 334' ' ' LYS . . . . . 0.48 ' CB ' ' HD2' ' A' ' 331' ' ' PRO . 0.0 OUTLIER -75.47 -47.93 24.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 335' ' ' ALA . . . . . 0.532 ' HB1' HD22 ' A' ' 324' ' ' LEU . . . -64.44 -32.36 73.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 332' ' ' ALA . 5.0 tt0 -70.57 -47.1 61.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.304 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 6.2 mmtm -61.84 -45.52 93.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.361 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 338' ' ' ILE . . . . . 0.704 HG22 HD13 ' A' ' 309' ' ' LEU . 58.2 mt -69.51 -43.48 80.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 339' ' ' ALA . . . . . 0.512 ' HB2' ' O ' ' A' ' 335' ' ' ALA . . . -57.26 -43.64 83.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.28 -43.42 70.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 110.013 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.47 -38.15 80.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.264 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 342' ' ' MET . . . . . 0.457 ' HE3' ' O ' ' A' ' 306' ' ' GLU . 0.0 OUTLIER -63.21 -43.1 99.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 111.0 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 343' ' ' ILE . . . . . . . . . . . . . 51.7 mt -68.25 -41.96 84.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 1.2 m -70.47 -29.18 65.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.416 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -79.89 -9.41 59.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.336 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 83.98 -12.76 52.42 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.499 1.125 . . . . 0.0 111.035 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 347' ' ' ARG . . . . . . . . . . . . . 36.3 mtt-85 -54.69 -44.52 73.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 0.776 . . . . 0.0 110.299 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 348' ' ' MET . . . . . 0.457 ' HG2' ' N ' ' A' ' 349' ' ' ASN . 6.2 ttm -112.92 144.07 43.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 111.025 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 349' ' ' ASN . . . . . 0.457 ' N ' ' HG2' ' A' ' 348' ' ' MET . 0.6 OUTLIER -108.59 129.43 55.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 142.34 -161.33 27.31 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.484 1.115 . . . . 0.0 111.006 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 351' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -146.13 162.6 37.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 0.735 . . . . 0.0 111.025 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 12.0 mt -104.05 121.08 55.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 353' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -84.51 109.88 18.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.29 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -86.03 -15.04 42.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.298 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 10.7 mm -69.47 -40.81 80.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.33 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -108.93 -15.01 14.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . 71.71 31.1 65.38 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.523 1.139 . . . . 0.0 110.998 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 358' ' ' ILE . . . . . . . . . . . . . 64.6 mt -114.46 140.6 34.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.47 0.747 . . . . 0.0 109.35 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 359' ' ' VAL . . . . . . . . . . . . . 69.3 t -83.31 121.23 35.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.336 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 360' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -88.79 110.94 21.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.612 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 361' ' ' PHE . . . . . 0.484 ' CG ' ' HA ' ' A' ' 313' ' ' SER . 10.1 m-85 -101.63 151.39 22.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -84.4 145.7 28.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.299 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 363' ' ' THR . . . . . . . . . . . . . 1.2 t -103.3 145.73 29.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 110.399 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 364' ' ' ARG . . . . . . . . . . . . . 8.7 mtt180 -60.54 143.2 54.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.296 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 365' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -75.77 122.35 23.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 110.304 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 366' ' ' ALA . . . . . . . . . . . . . . . -107.61 -62.1 1.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 2.7 m -131.52 154.08 49.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.009 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 368' ' ' GLY . . . . . . . . . . . . . . . -167.43 -169.71 31.33 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.509 1.131 . . . . 0.0 110.977 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 369' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 141.09 26.14 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.521 1.8 . . . . 0.0 111.032 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.92 145.08 50.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.983 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 371' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -162.08 88.87 0.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.027 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 372' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.518 1.136 . . . . 0.0 111.031 -179.996 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 290' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.9 144.27 29.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 0.747 . . . . 0.0 109.995 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 291' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.27 115.77 9.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.998 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 292' ' ' GLY . . . . . . . . . . . . . . . 91.76 149.11 23.43 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.438 1.086 . . . . 0.0 110.965 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 293' ' ' SER . . . . . . . . . . . . . 40.0 t -170.09 101.8 0.29 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 0.77 . . . . 0.0 109.981 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 294' ' ' SER . . . . . . . . . . . . . 43.7 t -105.95 -60.51 1.63 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.998 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 136.41 -147.31 19.15 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.521 1.138 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 296' ' ' GLY . . . . . . . . . . . . . . . -143.54 -127.39 2.09 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 297' ' ' SER . . . . . . . . . . . . . 13.6 m -103.63 -65.31 1.02 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 0.761 . . . . 0.0 109.986 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 298' ' ' SER . . . . . . . . . . . . . 1.4 m -76.27 125.57 29.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 109.983 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 299' ' ' ILE . . . . . 0.654 ' O ' HG22 ' A' ' 299' ' ' ILE . 25.7 mt -95.57 22.4 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -40.57 156.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.257 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 301' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -59.5 107.39 0.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 302' ' ' ARG . . . . . . . . . . . . . 9.6 tpp85 -57.44 -30.87 65.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.327 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -58.87 -34.23 71.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 109.294 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 304' ' ' VAL . . . . . . . . . . . . . 30.1 t -72.01 -42.52 68.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 305' ' ' ILE . . . . . 0.573 HG21 ' CD1' ' A' ' 338' ' ' ILE . 1.7 mp -66.36 -40.05 85.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.252 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -66.54 -50.48 63.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.288 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 65.0 t60 -59.4 -48.36 81.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.661 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 308' ' ' ASN . . . . . 0.73 HD22 HD23 ' A' ' 328' ' ' LEU . 26.4 m-20 -54.83 -38.54 67.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.276 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 309' ' ' LEU . . . . . 0.735 HD22 HG22 ' A' ' 338' ' ' ILE . 1.5 tp -62.92 -39.66 95.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 109.345 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 310' ' ' LEU . . . . . 0.555 HD21 ' O ' ' A' ' 347' ' ' ARG . 22.1 mt -74.09 -42.13 60.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 29.2 m -66.19 -40.98 90.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.014 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -64.24 -26.46 68.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 313' ' ' SER . . . . . 0.53 ' HA ' ' CG ' ' A' ' 361' ' ' PHE . 19.1 t -63.74 -31.2 72.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.028 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 314' ' ' LYS . . . . . . . . . . . . . 5.7 mtmt -107.03 36.6 2.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 12.2 mt -139.65 -63.17 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -100.16 136.86 39.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 317' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -71.76 -39.09 70.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -151.33 135.52 16.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 319' ' ' ILE . . . . . 0.922 ' O ' HG22 ' A' ' 359' ' ' VAL . 18.4 tt -146.49 147.16 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.337 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 320' ' ' THR . . . . . 0.487 HG23 ' H ' ' A' ' 323' ' ' GLU . 15.2 t -91.57 161.87 14.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.416 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 321' ' ' PHE . . . . . 0.62 ' HB2' ' HB1' ' A' ' 332' ' ' ALA . 22.3 m-85 -57.61 -35.11 70.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.995 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -62.78 -49.2 75.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 323' ' ' GLU . . . . . 0.487 ' H ' HG23 ' A' ' 320' ' ' THR . 6.5 mm-40 -71.21 -47.56 56.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.309 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 324' ' ' LEU . . . . . 0.746 HD22 HG21 ' A' ' 359' ' ' VAL . 17.7 tp -57.21 -41.83 80.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . 0.511 ' O ' ' N ' ' A' ' 330' ' ' ILE . . . -74.88 -33.09 56.04 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.468 1.105 . . . . 0.0 111.037 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -70.56 -26.52 63.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 0.758 . . . . 0.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 327' ' ' LEU . . . . . 0.505 HD12 ' O ' ' A' ' 327' ' ' LEU . 0.4 OUTLIER -76.17 -40.3 52.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 328' ' ' LEU . . . . . 0.73 HD23 HD22 ' A' ' 308' ' ' ASN . 0.1 OUTLIER -93.31 3.18 56.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.137 . . . . 0.0 109.304 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 329' ' ' GLU . . . . . 0.431 ' HB2' ' O ' ' A' ' 328' ' ' LEU . 3.3 mm-40 67.89 6.79 5.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 110.272 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 330' ' ' ILE . . . . . 0.511 ' N ' ' O ' ' A' ' 325' ' ' GLY . 11.2 pt -96.47 159.71 31.25 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.361 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 331' ' ' PRO . . . . . 0.467 ' HD2' ' CB ' ' A' ' 334' ' ' LYS . 18.2 Cg_endo -75.05 159.04 41.63 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.458 1.768 . . . . 0.0 110.987 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 332' ' ' ALA . . . . . 0.62 ' HB1' ' HB2' ' A' ' 321' ' ' PHE . . . -58.11 -35.44 71.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.156 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -63.29 -36.13 82.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 334' ' ' LYS . . . . . 0.467 ' CB ' ' HD2' ' A' ' 331' ' ' PRO . 0.0 OUTLIER -75.41 -48.56 22.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 335' ' ' ALA . . . . . 0.517 ' O ' ' CB ' ' A' ' 339' ' ' ALA . . . -64.51 -32.16 73.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 332' ' ' ALA . 4.7 tt0 -71.2 -47.16 59.09 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.135 . . . . 0.0 110.295 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.69 -45.88 81.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 338' ' ' ILE . . . . . 0.735 HG22 HD22 ' A' ' 309' ' ' LEU . 79.8 mt -65.63 -46.73 88.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 339' ' ' ALA . . . . . 0.612 ' HB3' HD11 ' A' ' 352' ' ' ILE . . . -56.2 -45.01 79.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.355 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.41 -43.49 66.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.098 . . . . 0.0 109.98 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -60.07 -41.53 92.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.581 1.176 . . . . 0.0 110.321 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 342' ' ' MET . . . . . 0.535 ' HG3' HD23 ' A' ' 309' ' ' LEU . 25.9 mmm -62.85 -46.88 85.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.981 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 343' ' ' ILE . . . . . 0.472 HG13 ' HE2' ' A' ' 348' ' ' MET . 65.5 mt -66.33 -40.82 87.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.552 1.158 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 6.7 m -68.58 -28.86 67.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.371 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 345' ' ' GLU . . . . . 0.433 ' OE2' ' NH2' ' A' ' 347' ' ' ARG . 4.1 mt-10 -86.15 -8.12 58.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.301 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 88.49 -19.86 34.03 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 347' ' ' ARG . . . . . 0.555 ' O ' HD21 ' A' ' 310' ' ' LEU . 80.1 mtt180 -45.77 -50.56 13.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 0.724 . . . . 0.0 110.297 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 348' ' ' MET . . . . . 0.472 ' HE2' HG13 ' A' ' 343' ' ' ILE . 37.1 ttp -106.33 151.19 25.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 111.028 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -110.37 132.0 54.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.138 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 133.56 -164.2 24.34 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.476 1.11 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 351' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -145.99 154.65 42.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 0.771 . . . . 0.0 110.98 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 352' ' ' ILE . . . . . 0.746 HG12 HG12 ' A' ' 359' ' ' VAL . 11.0 mt -95.2 118.42 41.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 353' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 357' ' ' GLY . 58.8 t0 -82.34 112.22 19.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -82.94 -15.55 50.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.332 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 35.2 mt -71.78 -40.77 69.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.329 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -109.75 -14.97 14.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 357' ' ' GLY . . . . . 0.541 ' O ' ' CE2' ' A' ' 321' ' ' PHE . . . 66.53 34.01 86.35 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.502 1.126 . . . . 0.0 111.028 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 358' ' ' ILE . . . . . . . . . . . . . 92.1 mt -118.07 140.33 41.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 0.775 . . . . 0.0 109.325 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 359' ' ' VAL . . . . . 0.922 HG22 ' O ' ' A' ' 319' ' ' ILE . 31.0 m -83.53 137.81 20.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 360' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -111.86 122.06 46.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.583 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 361' ' ' PHE . . . . . 0.53 ' CG ' ' HA ' ' A' ' 313' ' ' SER . 22.7 m-85 -103.44 156.33 17.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.971 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -83.53 147.27 27.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 110.307 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 363' ' ' THR . . . . . . . . . . . . . 5.0 t -112.28 147.58 35.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.351 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 364' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.17 143.77 52.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 110.298 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 365' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -71.54 74.81 0.79 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.3 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 366' ' ' ALA . . . . . . . . . . . . . . . -42.17 116.8 0.87 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 75.08 -62.57 0.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.01 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 368' ' ' GLY . . . . . . . . . . . . . . . 134.66 97.43 0.57 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.478 1.111 . . . . 0.0 111.039 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 369' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -46.55 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.472 1.775 . . . . 0.0 110.947 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 24.3 p -56.83 150.73 15.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.958 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 371' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 46.43 89.22 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 109.999 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 372' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.541 1.15 . . . . 0.0 110.977 179.952 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 290' ' ' SER . . . . . . . . . . . . . 7.1 t -125.01 -58.41 1.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 0.766 . . . . 0.0 109.985 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 291' ' ' SER . . . . . . . . . . . . . 3.8 m -169.97 -58.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.999 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 292' ' ' GLY . . . . . . . . . . . . . . . -141.32 70.61 0.43 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.524 1.14 . . . . 0.0 111.0 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 293' ' ' SER . . . . . . . . . . . . . 80.8 p -162.53 151.77 15.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 0.753 . . . . 0.0 110.027 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 294' ' ' SER . . . . . . . . . . . . . 2.1 t -52.31 122.87 9.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 110.012 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . -121.09 -87.87 0.98 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.499 1.124 . . . . 0.0 111.036 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 296' ' ' GLY . . . . . . . . . . . . . . . -60.35 133.58 50.36 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 297' ' ' SER . . . . . . . . . . . . . 18.6 m 46.31 86.51 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.462 0.743 . . . . 0.0 109.974 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 298' ' ' SER . . . . . . . . . . . . . 28.2 p -110.39 124.49 51.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 110.009 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 299' ' ' ILE . . . . . 0.477 ' O ' HG22 ' A' ' 299' ' ' ILE . 13.2 mt -107.61 23.32 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -42.73 107.01 0.07 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 301' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.89 107.68 19.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 302' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.49 -36.92 85.35 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.116 . . . . 0.0 110.313 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -60.95 -39.83 91.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.341 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 304' ' ' VAL . . . . . . . . . . . . . 45.7 t -65.13 -46.48 90.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 305' ' ' ILE . . . . . 0.632 HG23 HD13 ' A' ' 328' ' ' LEU . 11.7 mt -59.9 -43.13 91.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -66.76 -46.29 75.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.327 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 18.2 t60 -62.65 -48.95 77.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.662 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 308' ' ' ASN . . . . . 0.429 ' HB3' ' CD2' ' A' ' 328' ' ' LEU . 2.0 m-20 -54.94 -36.88 65.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 309' ' ' LEU . . . . . 0.88 HD21 HD21 ' A' ' 324' ' ' LEU . 0.6 OUTLIER -64.5 -40.38 95.53 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 310' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 310' ' ' LEU . 20.0 mt -73.92 -41.91 61.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 311' ' ' SER . . . . . 0.724 ' O ' HD12 ' A' ' 315' ' ' LEU . 0.3 OUTLIER -68.15 -37.46 81.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.015 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -76.03 -27.77 57.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.341 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 313' ' ' SER . . . . . 0.551 ' HA ' ' CG ' ' A' ' 361' ' ' PHE . 5.2 t -68.27 -21.48 64.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.985 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 314' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.21 -9.09 24.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 315' ' ' LEU . . . . . 0.724 HD12 ' O ' ' A' ' 311' ' ' SER . 2.8 mt -102.11 -79.47 0.52 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -66.24 138.27 57.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 111.013 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 317' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -79.13 -38.04 37.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -151.57 135.37 16.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.442 1.089 . . . . 0.0 109.347 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 319' ' ' ILE . . . . . 1.006 ' O ' HG22 ' A' ' 359' ' ' VAL . 16.0 tt -146.66 147.44 17.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.359 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 320' ' ' THR . . . . . 0.445 HG23 ' H ' ' A' ' 323' ' ' GLU . 12.7 t -95.17 163.93 13.07 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.135 . . . . 0.0 110.402 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 321' ' ' PHE . . . . . 0.729 ' CB ' ' HB1' ' A' ' 332' ' ' ALA . 19.1 m-85 -55.86 -38.72 70.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 111.034 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -60.36 -49.35 77.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 110.285 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 323' ' ' GLU . . . . . 0.445 ' H ' HG23 ' A' ' 320' ' ' THR . 41.2 mt-10 -71.98 -46.03 58.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 110.33 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 324' ' ' LEU . . . . . 0.88 HD21 HD21 ' A' ' 309' ' ' LEU . 15.5 tp -57.39 -41.44 80.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . 0.492 ' O ' ' N ' ' A' ' 330' ' ' ILE . . . -73.52 -32.53 59.56 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.573 1.171 . . . . 0.0 111.011 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -70.82 -26.95 63.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 0.772 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -76.03 -39.98 54.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 328' ' ' LEU . . . . . 0.632 HD13 HG23 ' A' ' 305' ' ' ILE . 0.1 OUTLIER -94.26 3.16 55.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 66.17 8.27 5.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 110.297 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 330' ' ' ILE . . . . . 0.522 HG23 ' O ' ' A' ' 328' ' ' LEU . 7.3 pt -98.16 164.04 18.06 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 331' ' ' PRO . . . . . 0.489 ' HD2' ' HB ' ' A' ' 330' ' ' ILE . 18.3 Cg_endo -74.99 156.48 43.03 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.478 1.778 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 332' ' ' ALA . . . . . 0.729 ' HB1' ' CB ' ' A' ' 321' ' ' PHE . . . -58.54 -31.7 68.18 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -65.26 -39.28 92.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.271 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 334' ' ' LYS . . . . . 0.403 ' O ' HG13 ' A' ' 338' ' ' ILE . 5.3 tptt -74.66 -48.24 27.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 335' ' ' ALA . . . . . 0.505 ' O ' ' CB ' ' A' ' 339' ' ' ALA . . . -65.34 -30.29 71.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . 0.502 ' CB ' ' O ' ' A' ' 332' ' ' ALA . 33.0 tt0 -69.05 -47.43 65.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.571 1.169 . . . . 0.0 110.315 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 37.2 tptt -69.79 -46.17 66.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 338' ' ' ILE . . . . . 0.595 HG22 HD13 ' A' ' 309' ' ' LEU . 94.9 mt -61.97 -47.3 93.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.344 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 339' ' ' ALA . . . . . 0.505 ' CB ' ' O ' ' A' ' 335' ' ' ALA . . . -55.99 -44.2 78.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.52 -43.69 66.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.953 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -60.29 -38.0 82.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.288 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 342' ' ' MET . . . . . 0.403 ' HE2' ' HB3' ' A' ' 347' ' ' ARG . 4.1 mtp -62.66 -46.61 87.38 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 0.0 110.946 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 343' ' ' ILE . . . . . 0.405 ' CG1' ' HB3' ' A' ' 348' ' ' MET . 43.1 mt -65.84 -38.04 81.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 3.0 m -72.72 -26.84 61.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 110.422 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -80.9 -9.01 59.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 90.17 -26.74 9.41 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.469 1.106 . . . . 0.0 111.017 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 347' ' ' ARG . . . . . 0.403 ' HB3' ' HE2' ' A' ' 342' ' ' MET . 53.2 mtt-85 -42.9 -55.85 3.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 0.739 . . . . 0.0 110.31 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 348' ' ' MET . . . . . 0.405 ' HB3' ' CG1' ' A' ' 343' ' ' ILE . 1.7 ttp -91.11 -175.57 4.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.969 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -153.2 129.26 10.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 136.51 -157.47 23.61 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.521 1.138 . . . . 0.0 111.006 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 351' ' ' PHE . . . . . 0.733 ' CE2' ' CG ' ' A' ' 360' ' ' HIS . 1.9 p90 -136.32 155.33 50.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 0.78 . . . . 0.0 110.956 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 352' ' ' ILE . . . . . 0.782 HG12 HG12 ' A' ' 359' ' ' VAL . 3.9 mt -105.93 108.78 25.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 109.261 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 353' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 357' ' ' GLY . 3.0 t0 -71.96 111.87 7.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -84.79 -33.94 22.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 0.0 110.334 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 61.9 mt -62.13 -31.87 52.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -110.84 -15.05 13.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.424 1.078 . . . . 0.0 109.293 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 357' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 353' ' ' ASP . . . 65.95 34.14 87.66 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.456 1.098 . . . . 0.0 110.988 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 358' ' ' ILE . . . . . . . . . . . . . 15.3 mt -115.36 160.14 14.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.535 0.785 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 359' ' ' VAL . . . . . 1.006 HG22 ' O ' ' A' ' 319' ' ' ILE . 27.0 m -109.2 135.78 47.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.085 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 360' ' ' HIS . . . . . 0.733 ' CG ' ' CE2' ' A' ' 351' ' ' PHE . 11.8 m-70 -104.35 112.42 25.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.594 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 361' ' ' PHE . . . . . 0.551 ' CG ' ' HA ' ' A' ' 313' ' ' SER . 17.5 m-85 -96.25 150.19 20.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -81.02 149.21 29.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.343 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 363' ' ' THR . . . . . . . . . . . . . 1.4 t -110.2 146.84 34.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 110.369 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 364' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.52 144.79 24.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 110.329 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 365' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 59.85 154.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.282 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 366' ' ' ALA . . . . . . . . . . . . . . . 41.55 89.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 109.268 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 38.7 p -162.82 110.35 1.26 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.004 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 368' ' ' GLY . . . . . . . . . . . . . . . 117.88 -145.53 18.49 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.495 1.122 . . . . 0.0 111.01 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 369' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 87.37 1.33 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.514 1.797 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.05 -57.62 8.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.986 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 371' ' ' SER . . . . . . . . . . . . . 41.0 m -121.31 142.76 49.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 110.026 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 372' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.939 0 O-C-N 124.566 1.166 . . . . 0.0 111.019 179.995 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 290' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.2 83.18 3.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 0.776 . . . . 0.0 110.013 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 291' ' ' SER . . . . . . . . . . . . . 1.4 m -157.45 167.22 30.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 110.001 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 292' ' ' GLY . . . . . . . . . . . . . . . -129.21 62.16 0.64 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.541 1.15 . . . . 0.0 111.007 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 293' ' ' SER . . . . . . . . . . . . . 90.9 p -175.33 80.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 0.0 109.972 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 294' ' ' SER . . . . . . . . . . . . . 6.4 t 179.18 114.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.99 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . -59.73 95.19 0.07 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.519 1.137 . . . . 0.0 110.979 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 296' ' ' GLY . . . . . . . . . . . . . . . -171.68 -117.56 0.44 Allowed Glycine 0 CA--C 1.53 1.016 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 297' ' ' SER . . . . . . . . . . . . . 71.8 p -51.35 101.49 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 0.764 . . . . 0.0 110.004 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 298' ' ' SER . . . . . . . . . . . . . 3.6 m -128.1 81.39 2.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.942 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 299' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -118.85 108.61 24.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 300' ' ' LEU . . . . . 0.439 HD12 ' N ' ' A' ' 301' ' ' ASP . 0.7 OUTLIER -121.44 -179.11 3.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 301' ' ' ASP . . . . . 0.52 ' OD1' ' HB3' ' A' ' 303' ' ' ALA . 43.6 t0 -58.99 107.95 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 302' ' ' ARG . . . . . 0.64 ' HA ' HD12 ' A' ' 305' ' ' ILE . 0.9 OUTLIER -62.66 -29.92 71.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.295 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 303' ' ' ALA . . . . . 0.52 ' HB3' ' OD1' ' A' ' 301' ' ' ASP . . . -62.16 -35.06 77.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 304' ' ' VAL . . . . . . . . . . . . . 40.1 t -62.98 -46.38 96.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 305' ' ' ILE . . . . . 0.79 ' HA ' HD22 ' A' ' 328' ' ' LEU . 3.3 mt -61.62 -47.22 94.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.341 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -57.78 -47.0 83.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 110.325 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 28.0 t60 -66.56 -48.81 68.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.674 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 308' ' ' ASN . . . . . 0.469 ' HB2' ' CD2' ' A' ' 328' ' ' LEU . 34.6 m-20 -55.46 -38.28 68.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 309' ' ' LEU . . . . . 0.632 HD22 HG22 ' A' ' 338' ' ' ILE . 1.1 mp -62.91 -38.2 90.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 310' ' ' LEU . . . . . 0.584 HD21 ' O ' ' A' ' 347' ' ' ARG . 20.2 mt -74.16 -42.1 60.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 5.1 m -65.72 -45.23 83.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.979 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -67.54 -21.87 65.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.107 . . . . 0.0 109.32 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 313' ' ' SER . . . . . 0.535 ' HA ' ' CG ' ' A' ' 361' ' ' PHE . 27.8 t -74.2 -27.01 60.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.969 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 314' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.37 -7.26 22.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.593 1.183 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 1.5 mt -101.57 -79.14 0.52 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -73.51 135.73 44.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 317' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -74.15 -40.27 62.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -148.13 135.41 20.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 319' ' ' ILE . . . . . 0.927 ' O ' HG22 ' A' ' 359' ' ' VAL . 14.0 tt -146.61 147.62 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 320' ' ' THR . . . . . 0.441 HG23 ' H ' ' A' ' 323' ' ' GLU . 12.6 t -94.92 166.84 11.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 110.405 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 321' ' ' PHE . . . . . 0.814 ' CB ' ' HB1' ' A' ' 332' ' ' ALA . 22.5 m-85 -58.33 -37.28 74.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 110.989 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -61.79 -50.09 73.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.293 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 323' ' ' GLU . . . . . 0.441 ' H ' HG23 ' A' ' 320' ' ' THR . 6.0 mm-40 -72.78 -45.19 59.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.279 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 324' ' ' LEU . . . . . 0.892 HD22 HG21 ' A' ' 359' ' ' VAL . 11.5 tp -57.4 -42.36 82.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.243 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . 0.494 ' O ' ' N ' ' A' ' 330' ' ' ILE . . . -74.96 -33.29 55.4 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.456 1.097 . . . . 0.0 111.039 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -64.3 -31.55 72.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 0.766 . . . . 0.0 109.334 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 327' ' ' LEU . . . . . 0.51 HD12 ' O ' ' A' ' 327' ' ' LEU . 0.4 OUTLIER -75.73 -40.32 55.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 328' ' ' LEU . . . . . 0.881 ' O ' HG23 ' A' ' 330' ' ' ILE . 0.1 OUTLIER -87.58 10.57 17.49 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.464 1.102 . . . . 0.0 109.336 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 56.64 17.13 2.94 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 110.314 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 330' ' ' ILE . . . . . 0.881 HG23 ' O ' ' A' ' 328' ' ' LEU . 2.2 pt -112.55 165.58 12.77 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 331' ' ' PRO . . . . . 0.492 ' HD2' ' CB ' ' A' ' 334' ' ' LYS . 18.1 Cg_endo -75.05 161.23 38.97 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.49 1.784 . . . . 0.0 110.978 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 332' ' ' ALA . . . . . 0.814 ' HB1' ' CB ' ' A' ' 321' ' ' PHE . . . -58.56 -39.15 79.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -60.01 -37.61 80.23 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.454 1.096 . . . . 0.0 109.331 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 334' ' ' LYS . . . . . 0.492 ' CB ' ' HD2' ' A' ' 331' ' ' PRO . 3.3 tptt -73.27 -47.93 38.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 335' ' ' ALA . . . . . 0.407 ' O ' ' CB ' ' A' ' 339' ' ' ALA . . . -64.82 -30.5 71.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 332' ' ' ALA . 29.0 tt0 -70.54 -44.36 67.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.303 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 35.0 tptt -68.47 -46.19 70.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 338' ' ' ILE . . . . . 0.632 HG21 HG22 ' A' ' 305' ' ' ILE . 85.3 mt -63.19 -47.13 93.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 339' ' ' ALA . . . . . 0.563 ' HB3' HD11 ' A' ' 352' ' ' ILE . . . -56.71 -42.1 78.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.4 -50.45 31.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.984 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.91 -35.61 75.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 110.307 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 342' ' ' MET . . . . . . . . . . . . . 18.7 mmm -62.54 -47.07 85.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 110.966 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 343' ' ' ILE . . . . . . . . . . . . . 62.8 mt -68.1 -36.87 77.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.477 1.11 . . . . 0.0 109.322 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 6.9 m -66.25 -32.86 74.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.419 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -80.07 -8.69 59.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.275 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 85.68 -12.86 58.23 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.501 1.126 . . . . 0.0 111.016 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 347' ' ' ARG . . . . . 0.584 ' O ' HD21 ' A' ' 310' ' ' LEU . 9.9 mtp180 -53.64 -47.53 70.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 0.771 . . . . 0.0 110.304 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 33.4 ttp -106.91 147.47 29.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.989 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -110.51 132.12 54.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 137.54 -162.23 25.43 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.449 1.093 . . . . 0.0 110.987 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 351' ' ' PHE . . . . . . . . . . . . . 9.6 p90 -146.11 151.69 38.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 0.776 . . . . 0.0 110.967 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 352' ' ' ILE . . . . . 0.679 HG12 HG12 ' A' ' 359' ' ' VAL . 10.4 mt -94.99 126.97 47.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 353' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 357' ' ' GLY . 59.5 t0 -91.47 110.04 21.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -81.82 -14.81 55.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 110.335 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 24.9 mt -70.17 -42.0 79.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.245 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -110.76 -14.32 14.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 357' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 353' ' ' ASP . . . 69.14 34.12 75.2 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.514 1.134 . . . . 0.0 111.026 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 358' ' ' ILE . . . . . . . . . . . . . 74.1 mt -117.76 140.41 41.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.54 0.788 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 359' ' ' VAL . . . . . 0.927 HG22 ' O ' ' A' ' 319' ' ' ILE . 30.7 m -81.25 136.18 23.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 360' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -108.76 111.35 23.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.645 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 361' ' ' PHE . . . . . 0.535 ' CG ' ' HA ' ' A' ' 313' ' ' SER . 21.4 m-85 -93.08 155.89 17.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -80.34 139.23 36.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.248 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 363' ' ' THR . . . . . . . . . . . . . 2.3 t -110.19 144.92 38.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.422 1.076 . . . . 0.0 110.426 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 364' ' ' ARG . . . . . 0.438 ' N ' ' HD2' ' A' ' 364' ' ' ARG . 0.1 OUTLIER -44.22 144.59 0.94 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.311 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 365' ' ' GLU . . . . . 0.412 ' O ' ' HB3' ' A' ' 366' ' ' ALA . 2.1 tp10 -57.93 122.21 12.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.302 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 366' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 365' ' ' GLU . . . 67.52 151.88 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 34.7 t -136.57 -63.38 0.63 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 110.033 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 368' ' ' GLY . . . . . . . . . . . . . . . -89.32 -161.78 37.82 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.524 1.14 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 369' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -53.87 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.42 1.747 . . . . 0.0 111.0 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 67.6 m -132.01 120.17 22.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 110.019 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 371' ' ' SER . . . . . . . . . . . . . 15.8 p -62.94 143.27 57.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.977 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 372' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 -179.98 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 290' ' ' SER . . . . . . . . . . . . . 4.5 t -146.17 93.89 2.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 0.791 . . . . 0.0 110.006 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 291' ' ' SER . . . . . . . . . . . . . 13.4 m -118.17 -58.2 2.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 109.99 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 292' ' ' GLY . . . . . . . . . . . . . . . 50.6 95.27 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.516 1.135 . . . . 0.0 111.016 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 293' ' ' SER . . . . . . . . . . . . . 31.7 p -115.65 161.14 19.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 0.769 . . . . 0.0 109.997 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 294' ' ' SER . . . . . . . . . . . . . 16.6 t -174.67 85.65 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 109.989 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 161.64 -120.2 0.93 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.481 1.113 . . . . 0.0 111.01 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 296' ' ' GLY . . . . . . . . . . . . . . . 163.24 -110.01 0.41 Allowed Glycine 0 CA--C 1.531 1.04 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 297' ' ' SER . . . . . . . . . . . . . 34.4 p -157.5 115.34 3.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 0.789 . . . . 0.0 110.021 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 298' ' ' SER . . . . . 0.437 ' C ' ' N ' ' A' ' 300' ' ' LEU . 0.5 OUTLIER -172.21 98.36 0.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.967 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 299' ' ' ILE . . . . . 0.74 ' O ' HG22 ' A' ' 299' ' ' ILE . 2.8 mp 39.9 30.29 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 300' ' ' LEU . . . . . 0.547 HD12 HD11 ' A' ' 305' ' ' ILE . 0.1 OUTLIER -145.97 113.17 6.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.255 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 301' ' ' ASP . . . . . 0.522 ' O ' HD12 ' A' ' 305' ' ' ILE . 0.7 OUTLIER -96.9 107.36 19.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.342 179.931 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 302' ' ' ARG . . . . . 0.423 ' NH1' ' HE2' ' A' ' 334' ' ' LYS . 0.2 OUTLIER -68.71 -32.33 72.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 110.324 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -71.23 -36.46 71.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 304' ' ' VAL . . . . . 0.438 HG23 ' HB3' ' A' ' 301' ' ' ASP . 47.8 t -66.47 -46.69 85.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 305' ' ' ILE . . . . . 0.697 HG23 HD13 ' A' ' 328' ' ' LEU . 7.6 mt -60.13 -43.37 92.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 306' ' ' GLU . . . . . 0.445 ' OE2' ' NH1' ' A' ' 347' ' ' ARG . 1.7 mt-10 -59.83 -48.54 81.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.34 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 23.5 t60 -66.72 -49.89 64.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.637 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 308' ' ' ASN . . . . . 0.504 ' HB3' HD21 ' A' ' 328' ' ' LEU . 3.9 m-80 -55.3 -36.75 66.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 309' ' ' LEU . . . . . 0.786 HD21 HD21 ' A' ' 324' ' ' LEU . 1.3 mt -65.19 -40.93 94.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.082 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 310' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 310' ' ' LEU . 20.4 mt -74.07 -42.04 60.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 311' ' ' SER . . . . . 0.519 ' O ' HD12 ' A' ' 315' ' ' LEU . 0.5 OUTLIER -67.51 -42.42 82.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.028 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -67.09 -22.1 65.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 313' ' ' SER . . . . . 0.545 ' HA ' ' CG ' ' A' ' 361' ' ' PHE . 28.7 t -73.94 -33.39 63.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.997 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 314' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -90.41 -8.85 49.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 315' ' ' LEU . . . . . 0.519 HD12 ' O ' ' A' ' 311' ' ' SER . 4.3 mt -99.15 -77.99 0.51 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -74.94 134.97 41.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 317' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -70.62 -43.08 70.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.086 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -150.88 135.33 17.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 319' ' ' ILE . . . . . 0.554 HG22 ' CE2' ' A' ' 361' ' ' PHE . 16.4 tt -146.74 147.21 18.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 320' ' ' THR . . . . . 0.491 HG23 ' H ' ' A' ' 323' ' ' GLU . 12.3 t -89.21 167.08 13.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.367 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 321' ' ' PHE . . . . . 0.838 ' CB ' ' HB1' ' A' ' 332' ' ' ALA . 36.3 m-85 -61.72 -35.36 77.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.956 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -62.14 -49.16 76.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.277 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 323' ' ' GLU . . . . . 0.491 ' H ' HG23 ' A' ' 320' ' ' THR . 16.8 mm-40 -71.62 -47.0 57.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 110.29 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 324' ' ' LEU . . . . . 0.786 HD21 HD21 ' A' ' 309' ' ' LEU . 21.0 tp -57.2 -41.9 80.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . 0.488 ' O ' ' N ' ' A' ' 330' ' ' ILE . . . -73.09 -32.59 60.34 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.514 1.134 . . . . 0.0 111.028 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -68.52 -28.6 67.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 0.791 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.0 -41.83 49.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 328' ' ' LEU . . . . . 0.697 HD13 HG23 ' A' ' 305' ' ' ILE . 0.2 OUTLIER -89.34 3.27 52.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 109.312 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 64.74 10.56 6.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 330' ' ' ILE . . . . . 0.602 HG23 ' O ' ' A' ' 328' ' ' LEU . 3.4 pt -103.56 163.14 18.03 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 331' ' ' PRO . . . . . 0.419 ' HD2' ' HB ' ' A' ' 330' ' ' ILE . 18.3 Cg_endo -74.98 158.32 42.33 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.487 1.783 . . . . 0.0 110.985 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 332' ' ' ALA . . . . . 0.838 ' HB1' ' CB ' ' A' ' 321' ' ' PHE . . . -58.53 -40.6 83.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.36 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -58.21 -35.07 71.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 334' ' ' LYS . . . . . 0.47 ' CG ' HD12 ' A' ' 330' ' ' ILE . 9.7 tptm -75.33 -48.01 25.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 335' ' ' ALA . . . . . 0.516 ' O ' ' CB ' ' A' ' 339' ' ' ALA . . . -63.97 -32.59 74.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 332' ' ' ALA . 12.1 tt0 -68.28 -47.28 68.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.309 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 6.1 tppt? -63.52 -45.3 91.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.348 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 338' ' ' ILE . . . . . 0.597 HG22 ' CD1' ' A' ' 309' ' ' LEU . 70.0 mt -68.83 -44.61 81.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 339' ' ' ALA . . . . . 0.516 ' CB ' ' O ' ' A' ' 335' ' ' ALA . . . -56.67 -44.86 81.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.07 -40.77 71.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.026 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -61.65 -37.86 85.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.331 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 342' ' ' MET . . . . . . . . . . . . . 8.4 mtp -62.88 -46.93 85.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 111.028 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 343' ' ' ILE . . . . . . . . . . . . . 55.0 mt -68.04 -34.27 65.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.107 . . . . 0.0 109.28 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -71.17 -31.52 67.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.434 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -83.6 -8.96 59.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.322 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 88.18 -19.98 32.15 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.514 1.134 . . . . 0.0 111.0 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 347' ' ' ARG . . . . . 0.445 ' NH1' ' OE2' ' A' ' 306' ' ' GLU . 78.2 mtt180 -44.46 -51.06 9.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 0.771 . . . . 0.0 110.338 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 29.8 ttp -103.44 151.05 23.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.974 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -113.78 132.01 56.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.267 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 134.86 -159.94 24.11 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.498 1.124 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 351' ' ' PHE . . . . . . . . . . . . . 9.6 p90 -146.14 164.74 31.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 0.733 . . . . 0.0 111.006 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 17.7 mt -104.29 125.03 59.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.336 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 353' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -88.67 110.03 20.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.125 . . . . 0.0 109.252 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -83.01 -16.45 47.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 14.4 mt -69.99 -41.67 79.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.27 -13.3 14.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 357' ' ' GLY . . . . . 0.423 ' O ' ' CE2' ' A' ' 321' ' ' PHE . . . 67.45 29.65 74.33 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.563 1.164 . . . . 0.0 111.019 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 358' ' ' ILE . . . . . . . . . . . . . 70.9 mt -112.64 145.32 18.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.499 0.764 . . . . 0.0 109.275 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 359' ' ' VAL . . . . . . . . . . . . . 71.2 t -87.72 128.56 40.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 360' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -98.06 110.96 23.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.574 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 361' ' ' PHE . . . . . 0.554 ' CE2' HG22 ' A' ' 319' ' ' ILE . 16.4 m-85 -94.11 150.21 20.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 111.017 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -105.97 152.31 23.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 110.284 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 363' ' ' THR . . . . . . . . . . . . . 1.7 t -91.26 147.1 23.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.413 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 364' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.52 150.59 47.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.316 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 365' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -104.23 133.92 48.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.318 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 366' ' ' ALA . . . . . . . . . . . . . . . -140.8 177.82 7.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.21 89.98 5.7 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 109.975 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 368' ' ' GLY . . . . . . . . . . . . . . . 144.76 157.16 7.1 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.532 1.145 . . . . 0.0 111.014 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 369' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 156.22 43.0 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.505 1.792 . . . . 0.0 111.062 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.95 123.85 44.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.975 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 371' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -100.49 -60.48 1.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.045 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 372' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 179.949 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 290' ' ' SER . . . . . . . . . . . . . 13.1 t -179.36 143.6 0.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 0.77 . . . . 0.0 109.988 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 291' ' ' SER . . . . . . . . . . . . . 1.1 t 62.03 160.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.996 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 292' ' ' GLY . . . . . . . . . . . . . . . -94.47 -133.32 6.99 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.486 1.116 . . . . 0.0 111.027 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 293' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 177.68 77.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 0.762 . . . . 0.0 109.987 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 294' ' ' SER . . . . . . . . . . . . . 2.5 m 53.55 172.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.983 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . -69.66 162.92 52.1 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.446 1.091 . . . . 0.0 110.977 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 296' ' ' GLY . . . . . . . . . . . . . . . 69.8 90.33 0.08 OUTLIER Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 297' ' ' SER . . . . . . . . . . . . . 47.0 p -171.34 -173.94 1.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 0.755 . . . . 0.0 109.971 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 298' ' ' SER . . . . . . . . . . . . . 3.3 m -77.69 81.88 4.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.952 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 299' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -117.01 108.29 24.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 300' ' ' LEU . . . . . 0.601 HD13 ' H ' ' A' ' 300' ' ' LEU . 0.0 OUTLIER -44.27 161.59 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 301' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.86 107.37 0.52 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 109.357 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 302' ' ' ARG . . . . . . . . . . . . . 13.8 tpp180 -58.07 -30.94 66.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.276 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -58.81 -34.02 71.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 304' ' ' VAL . . . . . 0.406 HG12 ' ND2' ' A' ' 308' ' ' ASN . 25.0 t -71.19 -43.65 74.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 305' ' ' ILE . . . . . 0.531 HD12 ' N ' ' A' ' 305' ' ' ILE . 1.6 mp -63.76 -40.06 87.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -69.56 -50.74 41.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 110.285 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 60.8 t60 -59.16 -48.6 81.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 109.584 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 308' ' ' ASN . . . . . 0.453 ' HB3' HD23 ' A' ' 328' ' ' LEU . 99.0 m-20 -55.13 -39.88 69.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 309' ' ' LEU . . . . . 0.473 HD22 HG22 ' A' ' 338' ' ' ILE . 1.1 tp -62.78 -42.19 99.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 310' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 310' ' ' LEU . 18.8 mt -71.8 -35.37 69.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 311' ' ' SER . . . . . 0.716 ' O ' HD12 ' A' ' 315' ' ' LEU . 0.1 OUTLIER -71.92 -44.82 63.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.998 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -61.58 -27.9 68.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 313' ' ' SER . . . . . 0.571 ' HA ' ' CD1' ' A' ' 361' ' ' PHE . 43.2 t -65.11 -45.0 86.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.02 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 314' ' ' LYS . . . . . . . . . . . . . 4.8 mttp -101.58 36.67 1.98 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.256 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 315' ' ' LEU . . . . . 0.716 HD12 ' O ' ' A' ' 311' ' ' SER . 9.0 mt -138.63 -62.95 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -93.5 153.23 18.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 110.982 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 317' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -88.28 -41.22 13.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -153.45 135.69 14.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 319' ' ' ILE . . . . . 0.782 HG23 HD12 ' A' ' 324' ' ' LEU . 17.7 tt -146.52 144.37 20.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . 81.1 p -88.45 160.67 17.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.43 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 321' ' ' PHE . . . . . 0.681 ' HB3' ' HB1' ' A' ' 332' ' ' ALA . 52.8 m-85 -55.81 -35.01 65.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 111.016 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -66.31 -49.08 68.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 110.274 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -70.73 -43.81 68.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.34 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 324' ' ' LEU . . . . . 0.782 HD12 HG23 ' A' ' 319' ' ' ILE . 1.1 tt -57.15 -44.14 83.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . 0.493 ' O ' ' N ' ' A' ' 330' ' ' ILE . . . -68.62 -32.48 74.74 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.514 1.134 . . . . 0.0 110.996 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -71.39 -25.86 62.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 0.78 . . . . 0.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 1.2 tp -75.94 -38.25 57.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.16 . . . . 0.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 328' ' ' LEU . . . . . 0.718 HD11 HD23 ' A' ' 324' ' ' LEU . 0.1 OUTLIER -95.78 4.46 52.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 65.36 9.19 5.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.283 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 330' ' ' ILE . . . . . 0.608 HG23 ' O ' ' A' ' 328' ' ' LEU . 4.0 pt -103.24 164.5 15.35 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.261 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 331' ' ' PRO . . . . . 0.455 ' HD2' ' HB ' ' A' ' 330' ' ' ILE . 18.3 Cg_endo -74.95 160.35 40.4 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.479 1.778 . . . . 0.0 111.049 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 332' ' ' ALA . . . . . 0.681 ' HB1' ' HB3' ' A' ' 321' ' ' PHE . . . -58.35 -39.34 79.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -59.39 -36.77 76.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 334' ' ' LYS . . . . . 0.527 ' O ' ' CG1' ' A' ' 338' ' ' ILE . 2.1 tptt -74.52 -48.1 29.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 335' ' ' ALA . . . . . 0.453 ' O ' ' CB ' ' A' ' 339' ' ' ALA . . . -63.21 -32.07 73.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 332' ' ' ALA . 6.5 tt0 -71.69 -47.24 55.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.286 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.78 -45.59 67.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 338' ' ' ILE . . . . . 0.527 ' CG1' ' O ' ' A' ' 334' ' ' LYS . 1.7 mm -61.27 -47.75 92.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 339' ' ' ALA . . . . . 0.453 ' CB ' ' O ' ' A' ' 335' ' ' ALA . . . -57.68 -44.32 85.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.62 -40.67 73.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.975 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.29 -41.01 96.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.32 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 342' ' ' MET . . . . . 0.462 ' HG3' ' CD2' ' A' ' 309' ' ' LEU . 46.7 mmm -63.94 -48.92 74.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 111.004 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 343' ' ' ILE . . . . . . . . . . . . . 45.8 mt -63.54 -39.57 85.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 2.2 m -66.47 -26.99 67.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.388 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -87.73 -8.91 55.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 110.297 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 90.55 -29.31 6.82 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.521 1.138 . . . . 0.0 110.996 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 347' ' ' ARG . . . . . . . . . . . . . 13.4 mtp180 -39.1 -44.2 1.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 0.758 . . . . 0.0 110.27 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 23.1 ttp -110.35 154.33 23.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.979 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -121.08 132.07 54.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.265 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 139.65 -164.8 25.97 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.535 1.147 . . . . 0.0 110.982 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 351' ' ' PHE . . . . . . . . . . . . . 26.7 p90 -146.12 164.04 33.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 0.769 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 22.5 mt -107.06 121.6 60.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 353' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -85.86 109.84 18.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -84.46 -19.87 32.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.287 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 5.7 mm -64.54 -42.22 94.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.342 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -108.01 -14.97 14.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . 70.9 33.52 65.85 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.513 1.133 . . . . 0.0 111.012 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 358' ' ' ILE . . . . . . . . . . . . . 86.1 mt -114.11 149.06 16.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 0.742 . . . . 0.0 109.321 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 359' ' ' VAL . . . . . . . . . . . . . 51.1 t -92.43 119.54 40.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 360' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -85.52 110.94 19.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.573 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 361' ' ' PHE . . . . . 0.571 ' CD1' ' HA ' ' A' ' 313' ' ' SER . 4.7 m-85 -99.84 146.57 26.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -79.99 133.69 36.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.274 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 363' ' ' THR . . . . . . . . . . . . . 1.2 t -112.03 147.07 36.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.367 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 364' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -71.65 130.28 40.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 110.281 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 365' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -53.81 133.62 42.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.311 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 366' ' ' ALA . . . . . . . . . . . . . . . -52.86 121.54 7.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 109.256 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 177.1 147.99 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.137 . . . . 0.0 109.988 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 368' ' ' GLY . . . . . . . . . . . . . . . -38.02 157.39 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.555 1.159 . . . . 0.0 110.981 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 369' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 82.8 1.94 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.461 1.769 . . . . 0.0 110.998 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 33.9 p -91.6 136.69 32.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 110.009 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 371' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 42.42 81.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.999 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 372' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 O-C-N 124.542 1.152 . . . . 0.0 110.98 179.978 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 290' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.23 88.51 1.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 0.778 . . . . 0.0 110.008 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 291' ' ' SER . . . . . . . . . . . . . 26.1 t -179.11 152.35 0.55 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.994 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 292' ' ' GLY . . . . . . . . . . . . . . . -148.17 59.33 0.46 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.53 1.144 . . . . 0.0 111.005 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 293' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -172.39 122.01 0.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 0.759 . . . . 0.0 110.016 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 294' ' ' SER . . . . . . . . . . . . . 53.4 p -147.99 146.89 29.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.009 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 74.2 -169.53 53.87 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.547 1.155 . . . . 0.0 110.97 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 296' ' ' GLY . . . . . . . . . . . . . . . 127.71 87.31 0.57 Allowed Glycine 0 CA--C 1.531 1.039 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 297' ' ' SER . . . . . . . . . . . . . 1.3 p -111.63 -9.06 14.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 0.763 . . . . 0.0 110.015 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 298' ' ' SER . . . . . . . . . . . . . 5.1 t -88.68 152.02 22.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.97 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 299' ' ' ILE . . . . . 0.487 ' O ' HG22 ' A' ' 299' ' ' ILE . 3.4 mp -110.75 29.12 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 300' ' ' LEU . . . . . 0.505 HD12 ' CD1' ' A' ' 305' ' ' ILE . 0.1 OUTLIER -148.61 117.06 6.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 301' ' ' ASP . . . . . 0.89 ' O ' HD12 ' A' ' 305' ' ' ILE . 29.2 m-20 -97.15 107.15 19.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 302' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.52 -27.6 64.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.28 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -69.78 -44.06 70.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 304' ' ' VAL . . . . . 0.404 HG23 ' HB3' ' A' ' 301' ' ' ASP . 97.6 t -62.85 -46.37 96.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 305' ' ' ILE . . . . . 0.89 HD12 ' O ' ' A' ' 301' ' ' ASP . 5.1 mt -65.49 -42.24 92.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.256 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -63.91 -42.71 97.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.31 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 14.5 t60 -71.19 -49.6 42.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.574 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 308' ' ' ASN . . . . . 0.564 ' CB ' HD23 ' A' ' 328' ' ' LEU . 7.1 m-80 -54.82 -34.86 63.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 109.33 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 309' ' ' LEU . . . . . 0.659 HD13 HG22 ' A' ' 338' ' ' ILE . 2.2 mt -67.25 -41.35 85.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 310' ' ' LEU . . . . . 0.475 HD23 ' HA ' ' A' ' 310' ' ' LEU . 16.1 mt -73.97 -40.93 62.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 311' ' ' SER . . . . . 0.428 ' O ' HD12 ' A' ' 315' ' ' LEU . 0.4 OUTLIER -69.52 -40.95 76.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.583 1.177 . . . . 0.0 110.033 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 312' ' ' ALA . . . . . 0.426 ' CB ' ' O ' ' A' ' 308' ' ' ASN . . . -61.12 -31.87 71.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 313' ' ' SER . . . . . . . . . . . . . 30.6 t -61.07 -38.81 87.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.998 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 314' ' ' LYS . . . . . . . . . . . . . 34.2 mtmt -100.16 35.32 2.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.082 . . . . 0.0 109.315 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 315' ' ' LEU . . . . . 0.428 HD12 ' O ' ' A' ' 311' ' ' SER . 8.8 mt -140.96 -49.08 0.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 316' ' ' TYR . . . . . 0.427 ' CD1' ' N ' ' A' ' 316' ' ' TYR . 8.9 m-85 -109.72 151.63 26.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.972 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 317' ' ' ASN . . . . . 0.404 ' O ' ' ND2' ' A' ' 318' ' ' ASN . 15.5 m-20 -84.79 -46.46 11.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 318' ' ' ASN . . . . . 0.404 ' ND2' ' O ' ' A' ' 317' ' ' ASN . 0.4 OUTLIER -149.76 135.79 18.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.137 . . . . 0.0 109.315 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 319' ' ' ILE . . . . . . . . . . . . . 19.7 tt -146.3 145.79 19.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.29 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 320' ' ' THR . . . . . 0.583 HG23 ' H ' ' A' ' 323' ' ' GLU . 9.7 t -88.12 164.32 15.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.41 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 321' ' ' PHE . . . . . 0.744 ' CB ' ' HB1' ' A' ' 332' ' ' ALA . 52.1 m-85 -58.23 -38.45 76.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.979 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -60.44 -49.35 77.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.272 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 323' ' ' GLU . . . . . 0.583 ' H ' HG23 ' A' ' 320' ' ' THR . 21.4 mm-40 -72.22 -43.36 64.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 110.32 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 324' ' ' LEU . . . . . 0.531 ' O ' HD12 ' A' ' 328' ' ' LEU . 12.3 tp -57.46 -42.46 82.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.254 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . 0.477 ' O ' ' N ' ' A' ' 330' ' ' ILE . . . -74.26 -32.73 57.82 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.507 1.129 . . . . 0.0 111.015 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -66.51 -30.34 70.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 0.756 . . . . 0.0 109.314 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 327' ' ' LEU . . . . . 0.487 HD12 ' O ' ' A' ' 327' ' ' LEU . 0.3 OUTLIER -75.49 -41.47 55.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 328' ' ' LEU . . . . . 0.678 ' O ' HG23 ' A' ' 330' ' ' ILE . 0.1 OUTLIER -87.75 3.82 46.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 63.37 11.99 5.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 110.283 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 330' ' ' ILE . . . . . 0.678 HG23 ' O ' ' A' ' 328' ' ' LEU . 2.0 pt -107.65 165.03 13.51 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 331' ' ' PRO . . . . . 0.44 ' HD2' ' HB ' ' A' ' 330' ' ' ILE . 18.5 Cg_endo -74.93 158.61 42.35 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.514 1.797 . . . . 0.0 111.017 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 332' ' ' ALA . . . . . 0.744 ' HB1' ' CB ' ' A' ' 321' ' ' PHE . . . -58.7 -35.57 72.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -62.27 -37.77 86.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.341 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 334' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.86 -48.2 26.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 335' ' ' ALA . . . . . 0.508 ' O ' ' CB ' ' A' ' 339' ' ' ALA . . . -63.95 -30.7 71.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -70.9 -47.23 60.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.272 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 9.0 tptt -66.44 -45.87 78.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 338' ' ' ILE . . . . . 0.659 HG22 HD13 ' A' ' 309' ' ' LEU . 87.1 mt -64.7 -46.72 91.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 339' ' ' ALA . . . . . 0.508 ' CB ' ' O ' ' A' ' 335' ' ' ALA . . . -56.88 -43.78 81.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.341 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.33 -43.72 66.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.016 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -59.74 -37.87 80.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.278 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 342' ' ' MET . . . . . 0.455 ' HB2' ' HE3' ' A' ' 348' ' ' MET . 2.8 mmm -65.59 -37.64 87.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 111.024 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 343' ' ' ILE . . . . . . . . . . . . . 34.3 mt -68.14 -49.13 70.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 1.2 m -62.35 -30.56 71.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 110.356 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -79.88 -9.4 59.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 110.281 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 89.18 -27.75 7.29 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.518 1.136 . . . . 0.0 110.985 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 347' ' ' ARG . . . . . . . . . . . . . 24.0 mtt85 -38.71 -56.92 1.27 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.508 0.769 . . . . 0.0 110.279 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 348' ' ' MET . . . . . 0.455 ' HE3' ' HB2' ' A' ' 342' ' ' MET . 12.7 ttm -100.39 143.91 30.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 111.006 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 349' ' ' ASN . . . . . 0.429 ' N ' ' HG2' ' A' ' 348' ' ' MET . 1.4 t30 -113.13 131.22 55.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 142.24 -160.43 27.21 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 351' ' ' PHE . . . . . . . . . . . . . 20.3 p90 -146.11 149.21 33.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 0.745 . . . . 0.0 111.031 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 10.1 mt -94.64 117.5 38.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.37 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 353' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -80.4 110.03 15.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -82.69 -18.34 41.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 6.2 mm -67.64 -40.43 84.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -108.92 -15.02 14.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.285 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 357' ' ' GLY . . . . . 0.454 ' O ' ' CE2' ' A' ' 321' ' ' PHE . . . 68.97 33.05 73.91 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.49 1.119 . . . . 0.0 111.011 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 358' ' ' ILE . . . . . . . . . . . . . 94.8 mt -113.65 148.07 16.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 0.77 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 359' ' ' VAL . . . . . . . . . . . . . 58.0 t -92.86 133.18 34.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.337 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 360' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -108.83 110.85 22.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 109.599 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 361' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -95.16 153.83 17.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 110.979 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -113.34 146.29 39.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 110.281 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 363' ' ' THR . . . . . . . . . . . . . 33.4 p -85.9 138.09 32.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.385 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 364' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.37 63.89 1.5 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 365' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -153.91 162.81 40.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.289 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 366' ' ' ALA . . . . . . . . . . . . . . . -59.52 -58.02 10.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.25 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 60.75 162.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 110.018 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 368' ' ' GLY . . . . . . . . . . . . . . . 115.41 80.31 0.86 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.48 1.112 . . . . 0.0 110.991 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 369' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -53.37 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.471 1.774 . . . . 0.0 111.01 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -142.38 103.76 4.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.996 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 371' ' ' SER . . . . . . . . . . . . . 30.0 p -169.82 170.11 8.01 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 0.0 110.013 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 372' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.507 1.129 . . . . 0.0 110.984 -179.976 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 290' ' ' SER . . . . . . . . . . . . . 1.4 t -103.65 107.39 18.22 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.438 0.728 . . . . 0.0 109.975 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 291' ' ' SER . . . . . . . . . . . . . 16.5 m -129.26 99.44 5.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.986 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 292' ' ' GLY . . . . . . . . . . . . . . . 148.92 -73.78 0.28 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.462 1.101 . . . . 0.0 111.02 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 293' ' ' SER . . . . . . . . . . . . . 14.0 m -85.99 102.23 13.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 0.75 . . . . 0.0 109.968 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 294' ' ' SER . . . . . . . . . . . . . 38.9 m -71.64 146.23 48.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.967 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 167.89 132.68 1.44 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.51 1.131 . . . . 0.0 110.957 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 296' ' ' GLY . . . . . . . . . . . . . . . 80.23 -124.6 6.54 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 297' ' ' SER . . . . . . . . . . . . . 77.4 p -51.0 126.35 16.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 0.769 . . . . 0.0 110.012 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 298' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.16 119.87 32.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.002 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 299' ' ' ILE . . . . . 0.402 ' O ' ' C ' ' A' ' 300' ' ' LEU . 5.0 mm -93.25 34.7 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 300' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 299' ' ' ILE . 1.7 pt? -40.18 111.48 0.2 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.565 1.166 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 301' ' ' ASP . . . . . 0.589 ' HB3' HG23 ' A' ' 304' ' ' VAL . 0.1 OUTLIER -96.99 107.52 20.06 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 302' ' ' ARG . . . . . 0.403 ' NH1' ' HE3' ' A' ' 334' ' ' LYS . 0.0 OUTLIER -58.58 -35.68 72.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 110.324 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -65.0 -35.09 80.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 304' ' ' VAL . . . . . 0.589 HG23 ' HB3' ' A' ' 301' ' ' ASP . 41.4 t -65.53 -46.44 89.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 305' ' ' ILE . . . . . 0.746 HG23 HD13 ' A' ' 328' ' ' LEU . 4.8 mt -65.8 -42.99 93.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 306' ' ' GLU . . . . . 0.428 ' O ' ' HE2' ' A' ' 342' ' ' MET . 10.3 mt-10 -57.76 -42.95 85.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.281 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 45.7 t60 -71.04 -42.58 69.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.586 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 308' ' ' ASN . . . . . 0.474 ' HB2' ' CD2' ' A' ' 328' ' ' LEU . 84.3 m-20 -54.98 -41.44 71.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.297 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 309' ' ' LEU . . . . . 0.468 ' CD2' ' HA ' ' A' ' 339' ' ' ALA . 1.8 mp -62.96 -37.5 87.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 310' ' ' LEU . . . . . 0.466 HD21 ' O ' ' A' ' 347' ' ' ARG . 34.8 mt -69.61 -38.48 77.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 311' ' ' SER . . . . . 0.519 ' O ' HD12 ' A' ' 315' ' ' LEU . 0.4 OUTLIER -74.13 -44.9 52.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.0 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -62.03 -22.9 66.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 109.268 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 313' ' ' SER . . . . . 0.451 ' CB ' ' CD1' ' A' ' 361' ' ' PHE . 20.3 t -72.18 -44.57 62.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.012 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 314' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.72 -7.79 59.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 315' ' ' LEU . . . . . 0.519 HD12 ' O ' ' A' ' 311' ' ' SER . 2.9 mt -102.13 -84.43 0.45 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.328 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -66.77 146.58 54.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 317' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -85.45 -38.92 18.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -157.45 135.77 11.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 319' ' ' ILE . . . . . 0.479 HG23 HD12 ' A' ' 324' ' ' LEU . 4.5 tt -146.51 146.66 18.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.086 . . . . 0.0 109.3 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . 60.0 p -88.08 162.77 16.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.409 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 321' ' ' PHE . . . . . 0.672 ' HB3' ' HB1' ' A' ' 332' ' ' ALA . 51.2 m-85 -56.6 -39.18 73.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 111.008 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -61.68 -48.88 78.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.302 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -71.41 -45.12 63.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.308 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 324' ' ' LEU . . . . . 0.924 ' CD2' HD11 ' A' ' 328' ' ' LEU . 3.0 tt -57.19 -43.44 82.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . 0.468 ' CA ' ' O ' ' A' ' 330' ' ' ILE . . . -69.17 -32.35 72.58 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.536 1.147 . . . . 0.0 110.995 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -71.31 -26.64 62.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 0.772 . . . . 0.0 109.34 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 327' ' ' LEU . . . . . 0.428 HD12 ' O ' ' A' ' 327' ' ' LEU . 0.8 OUTLIER -75.45 -38.64 59.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 109.334 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 328' ' ' LEU . . . . . 0.924 HD11 ' CD2' ' A' ' 324' ' ' LEU . 0.1 OUTLIER -93.49 -0.72 56.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 71.31 4.7 5.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.575 1.172 . . . . 0.0 110.297 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 330' ' ' ILE . . . . . 0.468 ' O ' ' CA ' ' A' ' 325' ' ' GLY . 4.1 pt -99.87 163.45 18.39 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 331' ' ' PRO . . . . . 0.444 ' HD2' ' HB ' ' A' ' 330' ' ' ILE . 18.5 Cg_endo -74.97 159.48 41.41 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.544 1.813 . . . . 0.0 111.041 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 332' ' ' ALA . . . . . 0.672 ' HB1' ' HB3' ' A' ' 321' ' ' PHE . . . -58.78 -34.28 71.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -63.61 -38.25 90.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 334' ' ' LYS . . . . . 0.435 ' CB ' ' HD2' ' A' ' 331' ' ' PRO . 12.7 tptt -74.59 -47.77 30.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 335' ' ' ALA . . . . . 0.403 ' O ' ' CB ' ' A' ' 339' ' ' ALA . . . -64.1 -32.72 74.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -69.04 -45.5 70.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.31 -46.01 74.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 338' ' ' ILE . . . . . 0.425 HD12 ' CD1' ' A' ' 330' ' ' ILE . 90.4 mt -63.51 -47.43 91.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.36 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 339' ' ' ALA . . . . . 0.468 ' HA ' ' CD2' ' A' ' 309' ' ' LEU . . . -56.87 -43.0 80.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.46 -46.73 59.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.941 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.81 -36.78 77.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 110.319 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 342' ' ' MET . . . . . 0.428 ' HE2' ' O ' ' A' ' 306' ' ' GLU . 28.4 mmm -62.76 -49.01 76.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 111.04 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 343' ' ' ILE . . . . . 0.59 HD11 ' HE3' ' A' ' 348' ' ' MET . 69.2 mt -68.15 -32.96 58.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 1.1 m -69.6 -31.61 69.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.395 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -86.79 -9.02 56.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 0.0 110.309 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 89.09 -22.6 21.9 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.507 1.13 . . . . 0.0 111.028 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 347' ' ' ARG . . . . . 0.466 ' O ' HD21 ' A' ' 310' ' ' LEU . 79.3 mtt-85 -42.95 -37.59 1.93 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 0.781 . . . . 0.0 110.309 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 348' ' ' MET . . . . . 0.59 ' HE3' HD11 ' A' ' 343' ' ' ILE . 41.1 ttp -118.83 143.68 46.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.957 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -106.14 132.95 51.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 133.38 -165.72 24.01 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.519 1.137 . . . . 0.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 351' ' ' PHE . . . . . . . . . . . . . 23.9 p90 -146.08 162.61 37.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 0.751 . . . . 0.0 111.026 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 29.7 mt -101.03 117.84 46.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 353' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -80.83 109.8 15.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.128 . . . . 0.0 109.323 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -87.71 -15.73 36.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.308 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 14.3 mt -69.54 -39.31 78.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 356' ' ' ASP . . . . . 0.426 ' HB3' HD12 ' A' ' 358' ' ' ILE . 0.8 OUTLIER -108.67 -14.58 14.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.282 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . 71.2 31.42 66.34 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.495 1.122 . . . . 0.0 111.046 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 358' ' ' ILE . . . . . 0.426 HD12 ' HB3' ' A' ' 356' ' ' ASP . 27.9 mt -115.92 147.89 19.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.476 0.751 . . . . 0.0 109.249 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 359' ' ' VAL . . . . . . . . . . . . . 53.5 t -89.56 125.36 42.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.546 1.154 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 360' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -93.13 110.97 22.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.622 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 361' ' ' PHE . . . . . 0.451 ' CD1' ' CB ' ' A' ' 313' ' ' SER . 9.3 m-85 -97.6 151.97 19.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 111.029 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 362' ' ' GLU . . . . . 0.433 ' HA ' ' OE1' ' A' ' 362' ' ' GLU . 4.1 tp10 -108.54 146.34 33.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 363' ' ' THR . . . . . . . . . . . . . 1.6 t -104.29 147.03 27.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 110.385 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 364' ' ' ARG . . . . . . . . . . . . . 2.3 mtt-85 -106.01 147.5 28.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.31 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 365' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.71 105.24 1.2 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.107 . . . . 0.0 110.297 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 366' ' ' ALA . . . . . . . . . . . . . . . -119.37 167.18 12.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.73 -57.78 1.98 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 110.025 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 368' ' ' GLY . . . . . . . . . . . . . . . -163.25 170.5 38.71 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.461 1.101 . . . . 0.0 110.989 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 369' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 135.37 18.96 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.477 1.777 . . . . 0.0 111.022 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -87.5 140.89 29.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.98 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 371' ' ' SER . . . . . . . . . . . . . 33.4 t -178.35 -58.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.99 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 372' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.507 1.129 . . . . 0.0 110.95 -179.993 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 290' ' ' SER . . . . . . . . . . . . . 34.0 t -138.87 109.73 6.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 0.789 . . . . 0.0 109.963 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 291' ' ' SER . . . . . . . . . . . . . 3.5 t 56.91 164.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.98 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 292' ' ' GLY . . . . . . . . . . . . . . . 110.84 -115.71 4.08 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.488 1.117 . . . . 0.0 110.99 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 293' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 54.63 86.19 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.423 0.719 . . . . 0.0 109.962 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 294' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 69.79 -83.59 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.999 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 63.0 -155.91 41.74 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.456 1.098 . . . . 0.0 111.021 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 296' ' ' GLY . . . . . . . . . . . . . . . -106.86 -111.26 3.55 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 297' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.49 106.69 0.15 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 0.785 . . . . 0.0 109.979 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 298' ' ' SER . . . . . . . . . . . . . 3.5 m -132.42 84.5 2.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.979 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 299' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -122.44 108.06 20.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 300' ' ' LEU . . . . . 0.673 HD22 ' O ' ' A' ' 300' ' ' LEU . 0.0 OUTLIER -111.33 156.83 20.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 109.321 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 301' ' ' ASP . . . . . 0.435 ' HB3' HG23 ' A' ' 304' ' ' VAL . 3.9 t0 -58.94 107.37 0.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.349 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 302' ' ' ARG . . . . . 0.467 ' CZ ' HG12 ' A' ' 338' ' ' ILE . 0.4 OUTLIER -58.23 -31.92 67.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -59.0 -33.6 70.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 304' ' ' VAL . . . . . 0.435 HG23 ' HB3' ' A' ' 301' ' ' ASP . 46.1 t -69.79 -45.63 76.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 305' ' ' ILE . . . . . 0.633 ' O ' HD12 ' A' ' 309' ' ' LEU . 1.4 mp -59.51 -40.08 80.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -69.68 -48.4 59.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.283 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -58.94 -49.19 78.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.143 . . . . 0.0 109.607 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 308' ' ' ASN . . . . . 0.493 ' HB3' ' CD2' ' A' ' 328' ' ' LEU . 0.7 OUTLIER -54.91 -40.32 69.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.267 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 309' ' ' LEU . . . . . 0.633 HD12 ' O ' ' A' ' 305' ' ' ILE . 0.4 OUTLIER -62.65 -35.79 80.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 310' ' ' LEU . . . . . . . . . . . . . 49.6 mt -72.17 -38.08 69.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 311' ' ' SER . . . . . 0.42 ' C ' HD12 ' A' ' 315' ' ' LEU . 52.7 m -74.12 -42.83 59.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.983 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -59.8 -22.54 62.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 313' ' ' SER . . . . . 0.468 ' HA ' ' CG ' ' A' ' 361' ' ' PHE . 4.5 p -70.26 -35.17 73.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 110.025 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 314' ' ' LYS . . . . . . . . . . . . . 12.6 mtmm -107.25 35.14 3.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 315' ' ' LEU . . . . . 0.42 HD12 ' C ' ' A' ' 311' ' ' SER . 11.1 mt -137.17 -75.61 0.41 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -80.82 149.84 29.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 111.007 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 317' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -82.27 -43.39 17.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.272 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -155.36 135.9 13.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.338 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 319' ' ' ILE . . . . . 0.404 ' CD1' ' HA ' ' A' ' 324' ' ' LEU . 3.4 tt -146.3 145.58 19.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 320' ' ' THR . . . . . 0.56 HG23 ' H ' ' A' ' 323' ' ' GLU . 12.6 t -88.48 162.42 16.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.365 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 321' ' ' PHE . . . . . 0.701 ' HB3' ' HB1' ' A' ' 332' ' ' ALA . 63.7 m-85 -56.52 -39.27 73.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.975 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -61.53 -47.14 86.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 323' ' ' GLU . . . . . 0.56 ' H ' HG23 ' A' ' 320' ' ' THR . 56.6 mm-40 -71.96 -47.21 53.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.329 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 324' ' ' LEU . . . . . 0.957 ' CD2' HD11 ' A' ' 328' ' ' LEU . 4.5 tt -57.13 -42.79 81.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . 0.499 ' O ' ' N ' ' A' ' 330' ' ' ILE . . . -70.94 -32.68 66.1 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.465 1.103 . . . . 0.0 111.004 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -70.66 -26.12 63.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 0.754 . . . . 0.0 109.295 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.82 -39.13 57.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.258 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 328' ' ' LEU . . . . . 0.957 HD11 ' CD2' ' A' ' 324' ' ' LEU . 0.1 OUTLIER -94.84 4.33 53.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 65.61 8.95 5.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.278 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 330' ' ' ILE . . . . . 0.575 HG23 ' O ' ' A' ' 328' ' ' LEU . 4.9 pt -101.17 162.62 19.97 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 331' ' ' PRO . . . . . 0.485 ' HD2' ' CB ' ' A' ' 334' ' ' LYS . 18.3 Cg_endo -75.04 161.38 38.75 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.464 1.771 . . . . 0.0 110.946 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 332' ' ' ALA . . . . . 0.701 ' HB1' ' HB3' ' A' ' 321' ' ' PHE . . . -58.53 -42.39 87.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -57.54 -34.5 69.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 334' ' ' LYS . . . . . 0.485 ' CB ' ' HD2' ' A' ' 331' ' ' PRO . 9.8 tptm -75.25 -48.82 21.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 335' ' ' ALA . . . . . 0.543 ' O ' ' CB ' ' A' ' 339' ' ' ALA . . . -63.48 -34.88 78.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . 0.442 ' HB2' ' CD1' ' A' ' 321' ' ' PHE . 3.5 tt0 -71.78 -47.35 54.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 0.0 110.296 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 25.7 tttp -66.5 -46.36 76.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.287 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 338' ' ' ILE . . . . . 0.605 HG22 HD13 ' A' ' 309' ' ' LEU . 61.2 mt -64.61 -46.74 91.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.135 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 339' ' ' ALA . . . . . 0.543 ' CB ' ' O ' ' A' ' 335' ' ' ALA . . . -55.75 -42.54 75.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.48 -40.82 70.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 109.954 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -39.53 93.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.303 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 342' ' ' MET . . . . . . . . . . . . . 9.7 mtp -62.7 -45.97 90.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.979 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 343' ' ' ILE . . . . . . . . . . . . . 40.2 mt -66.94 -37.26 79.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 6.9 m -67.55 -27.0 66.58 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.493 1.12 . . . . 0.0 110.427 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -88.79 -9.42 51.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.095 . . . . 0.0 110.304 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 88.96 -27.56 7.28 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.496 1.123 . . . . 0.0 110.959 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 347' ' ' ARG . . . . . . . . . . . . . 74.4 mtt-85 -38.75 -37.49 0.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 0.762 . . . . 0.0 110.32 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 6.1 ttp -110.42 176.37 5.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.965 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -143.52 130.38 20.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 133.42 -158.13 23.06 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.514 1.134 . . . . 0.0 110.971 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 351' ' ' PHE . . . . . . . . . . . . . 19.3 p90 -146.12 165.1 30.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 0.736 . . . . 0.0 111.026 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 8.6 mt -106.89 115.35 48.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 353' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -76.53 110.29 10.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -89.63 -12.22 40.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 110.292 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 57.9 mt -73.19 -39.54 56.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 109.322 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -110.28 -14.81 14.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . 73.25 29.62 64.04 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.546 1.153 . . . . 0.0 110.953 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 358' ' ' ILE . . . . . . . . . . . . . 49.5 mt -110.9 142.39 23.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.497 0.763 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 359' ' ' VAL . . . . . . . . . . . . . 82.4 t -85.74 123.67 39.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 360' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -90.96 110.76 22.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.598 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 361' ' ' PHE . . . . . 0.468 ' CG ' ' HA ' ' A' ' 313' ' ' SER . 12.3 m-85 -99.44 150.81 21.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 111.038 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -103.57 145.76 29.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.291 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 363' ' ' THR . . . . . . . . . . . . . 1.3 t -91.58 146.33 23.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.355 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 364' ' ' ARG . . . . . . . . . . . . . 21.3 ttt180 -48.74 123.6 7.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 110.29 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 365' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.25 146.89 31.45 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.135 . . . . 0.0 110.278 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 366' ' ' ALA . . . . . . . . . . . . . . . -167.58 88.54 0.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 2.1 t -53.64 -57.33 11.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 110.001 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 368' ' ' GLY . . . . . . . . . . . . . . . -163.34 -152.3 6.79 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.526 1.141 . . . . 0.0 110.977 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 369' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 103.45 1.74 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.483 1.78 . . . . 0.0 111.009 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 14.0 p -120.63 162.69 19.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.967 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 371' ' ' SER . . . . . . . . . . . . . 1.9 t -76.32 -58.55 3.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.004 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 372' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.52 1.137 . . . . 0.0 111.01 -179.985 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 290' ' ' SER . . . . . . . . . . . . . 14.8 m -110.06 -58.64 2.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 0.747 . . . . 0.0 109.975 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 291' ' ' SER . . . . . . . . . . . . . 32.6 t -159.79 -60.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.991 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 292' ' ' GLY . . . . . . . . . . . . . . . 137.74 151.04 5.8 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.523 1.139 . . . . 0.0 110.979 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 293' ' ' SER . . . . . . . . . . . . . 17.0 t -141.36 120.1 12.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 0.754 . . . . 0.0 109.985 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 294' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.59 166.97 2.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 109.973 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 63.08 157.64 0.13 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.532 1.145 . . . . 0.0 110.991 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 296' ' ' GLY . . . . . . . . . . . . . . . -179.84 115.3 0.47 Allowed Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 297' ' ' SER . . . . . . . . . . . . . 1.1 m -93.74 -41.04 9.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 0.779 . . . . 0.0 110.027 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 298' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.55 -177.9 0.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.011 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 299' ' ' ILE . . . . . 0.723 ' O ' HG22 ' A' ' 299' ' ' ILE . 12.7 mt -101.64 26.98 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 300' ' ' LEU . . . . . 0.681 HD12 ' C ' ' A' ' 300' ' ' LEU . 0.2 OUTLIER -40.11 112.24 0.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.29 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 301' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -94.81 107.39 19.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.347 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 302' ' ' ARG . . . . . . . . . . . . . 2.5 tpp180 -63.43 -29.7 70.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 110.266 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -69.69 -35.77 75.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 304' ' ' VAL . . . . . 0.404 ' O ' ' OD1' ' A' ' 308' ' ' ASN . 10.4 t -72.24 -46.81 56.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 305' ' ' ILE . . . . . . . . . . . . . 7.1 mt -59.61 -40.46 82.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 306' ' ' GLU . . . . . 0.582 ' O ' ' HE1' ' A' ' 342' ' ' MET . 12.1 mt-10 -58.83 -48.8 80.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.35 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 24.7 t60 -71.44 -44.57 64.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.625 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 308' ' ' ASN . . . . . 0.445 ' HB2' ' CD2' ' A' ' 328' ' ' LEU . 19.4 m-20 -54.01 -32.76 55.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.337 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 309' ' ' LEU . . . . . 0.444 ' CD2' ' HA ' ' A' ' 339' ' ' ALA . 1.8 tp -70.06 -49.02 55.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.276 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 310' ' ' LEU . . . . . 0.72 HD11 ' O ' ' A' ' 347' ' ' ARG . 0.2 OUTLIER -64.1 -45.04 90.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 13.0 m -59.46 -41.66 90.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 109.956 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -66.07 -21.94 66.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 109.291 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 313' ' ' SER . . . . . 0.472 ' HA ' ' CG ' ' A' ' 361' ' ' PHE . 1.4 p -68.44 -32.92 73.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.064 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 314' ' ' LYS . . . . . . . . . . . . . 5.9 mttp -108.01 33.59 4.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 7.4 mt -137.74 -66.09 0.51 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.357 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -93.86 117.12 29.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 111.006 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 317' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -50.22 -38.16 38.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -161.86 136.42 6.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 319' ' ' ILE . . . . . 0.543 HG21 HD13 ' A' ' 324' ' ' LEU . 19.8 tt -145.15 142.82 22.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 320' ' ' THR . . . . . 0.912 HG22 HD12 ' A' ' 358' ' ' ILE . 29.2 p -80.99 165.74 21.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 110.418 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 321' ' ' PHE . . . . . 0.743 ' CB ' ' HB1' ' A' ' 332' ' ' ALA . 69.7 m-85 -62.14 -32.27 72.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 111.002 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -64.81 -49.33 71.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.331 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 323' ' ' GLU . . . . . 0.429 ' HB3' HD11 ' A' ' 319' ' ' ILE . 9.2 mm-40 -72.2 -45.64 59.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.284 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 324' ' ' LEU . . . . . 0.543 HD13 HG21 ' A' ' 319' ' ' ILE . 18.2 tp -57.32 -41.77 80.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . 0.499 ' O ' ' N ' ' A' ' 330' ' ' ILE . . . -74.52 -32.9 57.1 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.509 1.13 . . . . 0.0 110.978 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -68.89 -27.55 65.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 0.748 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 327' ' ' LEU . . . . . 0.418 HD12 ' O ' ' A' ' 327' ' ' LEU . 0.3 OUTLIER -75.9 -41.45 51.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.259 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 328' ' ' LEU . . . . . 0.567 ' O ' HG23 ' A' ' 330' ' ' ILE . 0.0 OUTLIER -90.45 4.11 51.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 65.47 9.4 5.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.59 1.181 . . . . 0.0 110.314 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 330' ' ' ILE . . . . . 0.567 HG23 ' O ' ' A' ' 328' ' ' LEU . 5.8 pt -101.82 161.85 22.19 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 331' ' ' PRO . . . . . 0.416 ' HD2' ' HB ' ' A' ' 330' ' ' ILE . 18.3 Cg_endo -75.01 158.4 42.17 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.469 1.773 . . . . 0.0 111.045 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 332' ' ' ALA . . . . . 0.743 ' HB1' ' CB ' ' A' ' 321' ' ' PHE . . . -58.76 -36.57 74.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -60.72 -43.11 98.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 334' ' ' LYS . . . . . 0.523 ' O ' ' CG1' ' A' ' 338' ' ' ILE . 0.3 OUTLIER -70.26 -47.66 60.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.337 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 335' ' ' ALA . . . . . . . . . . . . . . . -63.22 -30.87 71.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 332' ' ' ALA . 11.9 tt0 -71.31 -47.26 57.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.318 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 21.3 mmmt -69.47 -45.4 69.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 338' ' ' ILE . . . . . 0.523 ' CG1' ' O ' ' A' ' 334' ' ' LYS . 1.6 mm -59.23 -47.83 89.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 109.246 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 339' ' ' ALA . . . . . 0.444 ' HA ' ' CD2' ' A' ' 309' ' ' LEU . . . -59.62 -45.53 91.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.83 -43.14 89.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 109.97 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -35.98 80.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.273 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 342' ' ' MET . . . . . 0.582 ' HE1' ' O ' ' A' ' 306' ' ' GLU . 2.8 mtp -64.31 -44.35 91.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 111.05 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 343' ' ' ILE . . . . . . . . . . . . . 23.3 mt -67.41 -47.25 81.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 8.8 m -58.01 -37.81 75.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.382 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -79.67 -7.42 58.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.311 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 83.88 -11.63 56.25 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 347' ' ' ARG . . . . . 0.72 ' O ' HD11 ' A' ' 310' ' ' LEU . 8.7 mmt180 -50.03 -41.85 48.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 0.788 . . . . 0.0 110.299 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 348' ' ' MET . . . . . 0.447 ' HG2' ' N ' ' A' ' 349' ' ' ASN . 8.8 ttm -115.62 141.57 47.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 111.034 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 349' ' ' ASN . . . . . 0.447 ' N ' ' HG2' ' A' ' 348' ' ' MET . 0.7 OUTLIER -102.41 130.37 49.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 134.62 -160.23 24.16 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.115 . . . . 0.0 111.007 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 351' ' ' PHE . . . . . . . . . . . . . 14.3 p90 -146.2 163.15 36.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 0.778 . . . . 0.0 111.02 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 352' ' ' ILE . . . . . 0.412 HD11 ' CB ' ' A' ' 339' ' ' ALA . 10.4 mt -105.0 130.73 55.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 353' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -92.85 110.45 21.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.09 . . . . 0.0 109.317 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -88.97 -17.17 30.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 33.0 mm -70.44 -39.11 75.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -107.24 -11.21 15.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . 68.22 29.75 73.4 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.491 1.119 . . . . 0.0 111.016 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 358' ' ' ILE . . . . . 0.912 HD12 HG22 ' A' ' 320' ' ' THR . 6.7 mm -113.99 149.78 16.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.559 0.799 . . . . 0.0 109.233 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 359' ' ' VAL . . . . . . . . . . . . . 56.5 t -94.75 120.21 43.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 360' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -86.9 111.32 20.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.603 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 361' ' ' PHE . . . . . 0.472 ' CG ' ' HA ' ' A' ' 313' ' ' SER . 8.8 m-85 -103.11 150.81 23.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 111.004 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -82.51 142.85 31.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 110.312 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 363' ' ' THR . . . . . . . . . . . . . 1.4 t -106.16 146.26 30.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.421 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 364' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.03 132.5 46.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.095 . . . . 0.0 110.311 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 365' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.34 75.22 7.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.283 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 366' ' ' ALA . . . . . . . . . . . . . . . -150.6 77.59 1.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 19.1 t -165.22 -57.09 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.982 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 368' ' ' GLY . . . . . . . . . . . . . . . 140.92 94.95 0.25 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.53 1.144 . . . . 0.0 110.972 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 369' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 173.97 13.6 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.467 1.772 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 3.7 m -42.25 139.61 1.37 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.991 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 371' ' ' SER . . . . . . . . . . . . . 3.4 t -115.37 101.44 8.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 109.981 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 372' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.512 1.133 . . . . 0.0 111.02 -179.981 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.065 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 290' ' ' SER . . . . . . . . . . . . . 9.3 m 54.03 78.77 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 0.783 . . . . 0.0 109.973 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 291' ' ' SER . . . . . . . . . . . . . 29.0 t -124.99 155.5 39.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.103 . . . . 0.0 110.025 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 292' ' ' GLY . . . . . . . . . . . . . . . -159.34 -150.7 5.9 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.508 1.13 . . . . 0.0 111.016 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 293' ' ' SER . . . . . . . . . . . . . 9.0 t -128.35 94.69 3.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 0.774 . . . . 0.0 109.995 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 294' ' ' SER . . . . . . . . . . . . . 2.0 t 68.6 86.01 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.993 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . -119.77 71.24 0.34 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.486 1.116 . . . . 0.0 111.013 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 296' ' ' GLY . . . . . . . . . . . . . . . 158.75 -61.17 0.32 Allowed Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 297' ' ' SER . . . . . . . . . . . . . 1.4 t -70.05 -176.02 1.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 0.772 . . . . 0.0 109.995 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 298' ' ' SER . . . . . . . . . . . . . 9.6 m -72.34 135.57 45.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.996 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 299' ' ' ILE . . . . . . . . . . . . . 1.5 mp -112.75 25.98 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -41.22 104.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 301' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.24 107.78 19.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 302' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.45 -33.69 74.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.308 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -62.58 -41.82 99.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 304' ' ' VAL . . . . . . . . . . . . . 40.7 t -62.81 -46.26 96.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 305' ' ' ILE . . . . . 0.569 ' HA ' HD22 ' A' ' 328' ' ' LEU . 23.1 mt -59.78 -40.94 83.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -67.45 -47.32 70.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 110.28 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 15.4 t60 -61.82 -49.7 75.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 109.61 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 308' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -55.1 -37.42 66.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 309' ' ' LEU . . . . . 0.525 HD12 ' O ' ' A' ' 305' ' ' ILE . 0.5 OUTLIER -64.24 -41.17 97.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 310' ' ' LEU . . . . . 0.897 HD21 ' O ' ' A' ' 347' ' ' ARG . 23.4 mt -74.22 -42.06 60.37 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.16 -44.97 82.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 110.02 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -67.18 -23.12 65.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.334 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 313' ' ' SER . . . . . 0.564 ' HA ' ' CD2' ' A' ' 361' ' ' PHE . 2.8 t -74.17 -30.73 62.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.956 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 314' ' ' LYS . . . . . . . . . . . . . 15.4 mttt -93.1 -6.58 47.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 10.5 mt -98.15 -87.92 0.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -65.03 165.45 11.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 317' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -98.32 -44.66 6.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.248 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -144.51 135.34 24.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.254 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 319' ' ' ILE . . . . . 0.91 ' O ' HG22 ' A' ' 359' ' ' VAL . 6.4 tt -146.56 143.33 20.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 320' ' ' THR . . . . . 0.607 HG23 ' H ' ' A' ' 323' ' ' GLU . 5.6 t -85.65 161.97 19.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.343 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 321' ' ' PHE . . . . . 0.755 ' CB ' ' HB1' ' A' ' 332' ' ' ALA . 15.5 m-85 -56.92 -38.87 73.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.59 1.182 . . . . 0.0 111.044 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -60.31 -45.68 92.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.34 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 323' ' ' GLU . . . . . 0.607 ' H ' HG23 ' A' ' 320' ' ' THR . 30.8 mm-40 -71.97 -46.47 57.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.311 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 324' ' ' LEU . . . . . 0.774 HD12 HG21 ' A' ' 359' ' ' VAL . 0.5 OUTLIER -56.97 -44.23 82.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . 0.456 ' CA ' ' O ' ' A' ' 330' ' ' ILE . . . -71.72 -31.96 64.56 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.57 1.168 . . . . 0.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -70.49 -25.99 63.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 0.789 . . . . 0.0 109.265 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 1.2 tp -75.4 -42.38 53.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.338 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 328' ' ' LEU . . . . . 0.614 HD11 HD23 ' A' ' 324' ' ' LEU . 0.1 OUTLIER -90.76 -2.84 57.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.343 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 329' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 325' ' ' GLY . 5.3 mt-10 76.28 -0.67 3.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 110.269 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 330' ' ' ILE . . . . . 0.456 ' O ' ' CA ' ' A' ' 325' ' ' GLY . 7.0 pt -90.92 163.18 30.7 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 109.333 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 331' ' ' PRO . . . . . 0.451 ' HD2' ' HB ' ' A' ' 330' ' ' ILE . 18.3 Cg_endo -75.05 157.46 42.56 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.486 1.782 . . . . 0.0 110.98 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 332' ' ' ALA . . . . . 0.755 ' HB1' ' CB ' ' A' ' 321' ' ' PHE . . . -58.53 -32.39 68.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 109.341 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -63.22 -39.2 93.95 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 334' ' ' LYS . . . . . 0.452 ' HB3' HD12 ' A' ' 330' ' ' ILE . 0.0 OUTLIER -75.24 -48.04 25.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 335' ' ' ALA . . . . . 0.511 ' O ' ' CB ' ' A' ' 339' ' ' ALA . . . -63.97 -30.87 71.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 332' ' ' ALA . 6.2 tt0 -70.45 -46.99 62.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 110.336 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 15.0 mttt -68.26 -45.78 72.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.257 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 338' ' ' ILE . . . . . 0.493 HG22 HD13 ' A' ' 309' ' ' LEU . 83.9 mt -63.7 -47.29 91.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 339' ' ' ALA . . . . . 0.511 ' CB ' ' O ' ' A' ' 335' ' ' ALA . . . -56.63 -43.88 80.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.33 -45.19 63.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.982 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -61.83 -37.88 86.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 110.317 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 342' ' ' MET . . . . . 0.413 ' CG ' ' O ' ' A' ' 338' ' ' ILE . 17.5 mmm -62.81 -44.2 96.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 111.041 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 343' ' ' ILE . . . . . 0.454 ' CG1' ' HB3' ' A' ' 348' ' ' MET . 59.8 mt -66.86 -37.03 78.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 3.9 m -70.55 -27.45 64.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.385 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -84.51 -9.12 58.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.238 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 90.86 -30.74 5.98 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 347' ' ' ARG . . . . . 0.897 ' O ' HD21 ' A' ' 310' ' ' LEU . 5.8 mtt85 -38.78 -44.75 1.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 0.747 . . . . 0.0 110.26 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 348' ' ' MET . . . . . 0.454 ' HB3' ' CG1' ' A' ' 343' ' ' ILE . 0.8 OUTLIER -103.54 176.08 5.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 111.009 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -143.5 128.41 18.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 136.55 -160.21 24.71 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.445 1.09 . . . . 0.0 111.009 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 351' ' ' PHE . . . . . . . . . . . . . 13.1 p90 -145.98 153.18 40.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 0.763 . . . . 0.0 110.984 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 352' ' ' ILE . . . . . 0.727 HG12 HG12 ' A' ' 359' ' ' VAL . 37.1 mt -95.99 121.12 46.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 353' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 357' ' ' GLY . 55.5 t0 -88.03 113.37 23.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -81.64 -14.15 57.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.33 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 62.0 mt -70.1 -42.66 79.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.26 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -110.39 -14.95 14.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 357' ' ' GLY . . . . . 0.58 ' O ' ' CE2' ' A' ' 321' ' ' PHE . . . 68.13 33.88 79.73 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.502 1.126 . . . . 0.0 111.042 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 358' ' ' ILE . . . . . 0.505 HG23 ' C ' ' A' ' 319' ' ' ILE . 52.6 mt -118.04 143.9 27.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 359' ' ' VAL . . . . . 0.91 HG22 ' O ' ' A' ' 319' ' ' ILE . 18.8 m -82.83 140.24 16.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 360' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -109.49 110.86 22.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.601 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 361' ' ' PHE . . . . . 0.564 ' CD2' ' HA ' ' A' ' 313' ' ' SER . 11.7 m-85 -96.91 151.64 19.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.98 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -79.88 141.46 36.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.293 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 363' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -103.21 144.31 31.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.376 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 364' ' ' ARG . . . . . . . . . . . . . 3.4 mtm180 -66.6 136.2 55.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 365' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -53.58 136.66 38.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.112 . . . . 0.0 110.288 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 366' ' ' ALA . . . . . . . . . . . . . . . -132.4 114.97 14.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 63.59 146.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.999 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 368' ' ' GLY . . . . . . . . . . . . . . . -158.84 -126.67 0.87 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.506 1.129 . . . . 0.0 111.021 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 369' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 60.0 5.34 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.53 1.805 . . . . 0.0 110.984 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 10.7 t 40.67 81.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.983 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 371' ' ' SER . . . . . . . . . . . . . 15.8 p -41.67 -59.54 1.61 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 110.026 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 372' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.488 1.117 . . . . 0.0 111.054 179.953 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 290' ' ' SER . . . . . . . . . . . . . 38.2 t -88.23 100.57 13.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 0.798 . . . . 0.0 110.014 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 291' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -160.87 -58.21 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.979 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 292' ' ' GLY . . . . . . . . . . . . . . . -143.87 -75.53 0.03 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.53 1.143 . . . . 0.0 110.973 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 293' ' ' SER . . . . . . . . . . . . . 5.4 t 61.91 134.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 0.753 . . . . 0.0 110.013 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 294' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.36 80.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.987 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 87.66 -62.73 3.96 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 296' ' ' GLY . . . . . . . . . . . . . . . -42.1 -75.57 0.13 Allowed Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 297' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -39.72 155.48 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 0.765 . . . . 0.0 109.992 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 298' ' ' SER . . . . . . . . . . . . . 3.6 m -116.26 80.1 1.41 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.05 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 299' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -109.34 108.17 24.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 109.296 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.99 101.32 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 301' ' ' ASP . . . . . 0.456 ' HB3' HG23 ' A' ' 304' ' ' VAL . 0.6 OUTLIER -96.73 108.79 21.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 302' ' ' ARG . . . . . 0.408 ' NH1' HG12 ' A' ' 338' ' ' ILE . 0.0 OUTLIER -57.78 -42.25 83.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 110.305 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -60.15 -33.83 72.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 109.263 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 304' ' ' VAL . . . . . 0.566 HG12 HD22 ' A' ' 308' ' ' ASN . 41.5 t -71.0 -46.42 67.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 305' ' ' ILE . . . . . 0.594 HG23 HD13 ' A' ' 328' ' ' LEU . 4.7 mt -61.98 -44.69 99.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 306' ' ' GLU . . . . . 0.418 ' HA ' ' SD ' ' A' ' 342' ' ' MET . 8.5 mt-10 -59.67 -47.82 84.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.288 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 36.7 t60 -69.29 -43.25 74.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.558 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 308' ' ' ASN . . . . . 0.566 HD22 HG12 ' A' ' 304' ' ' VAL . 5.0 m-20 -54.56 -38.75 67.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 309' ' ' LEU . . . . . 0.838 HD21 HD21 ' A' ' 324' ' ' LEU . 0.7 OUTLIER -64.06 -50.17 69.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 310' ' ' LEU . . . . . 0.533 HD11 ' O ' ' A' ' 347' ' ' ARG . 0.2 OUTLIER -60.96 -45.3 95.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 311' ' ' SER . . . . . 0.478 ' HA ' ' CE ' ' A' ' 314' ' ' LYS . 0.1 OUTLIER -60.22 -39.31 86.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.007 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -68.45 -21.64 64.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 313' ' ' SER . . . . . 0.409 ' HA ' ' CG ' ' A' ' 361' ' ' PHE . 2.7 t -59.56 -44.87 93.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 109.975 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 314' ' ' LYS . . . . . 0.478 ' CE ' ' HA ' ' A' ' 311' ' ' SER . 0.0 OUTLIER -89.59 -34.55 16.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.267 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 315' ' ' LEU . . . . . 0.413 ' N ' ' HG2' ' A' ' 314' ' ' LYS . 4.1 mt -69.62 -78.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -79.2 121.48 25.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 317' ' ' ASN . . . . . 0.445 ' O ' ' ND2' ' A' ' 318' ' ' ASN . 2.6 m120 -62.75 -40.51 97.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 318' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 317' ' ' ASN . 0.4 OUTLIER -158.71 135.72 9.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 319' ' ' ILE . . . . . 0.427 ' CG1' ' HB2' ' A' ' 323' ' ' GLU . 16.7 tt -146.47 146.87 18.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 320' ' ' THR . . . . . 0.597 HG23 ' H ' ' A' ' 323' ' ' GLU . 8.9 t -87.36 166.04 15.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 110.403 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 321' ' ' PHE . . . . . 0.714 ' CB ' ' HB1' ' A' ' 332' ' ' ALA . 39.4 m-85 -58.28 -38.24 76.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 111.02 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -62.33 -49.21 76.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.295 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 323' ' ' GLU . . . . . 0.597 ' H ' HG23 ' A' ' 320' ' ' THR . 10.9 mm-40 -71.29 -46.01 61.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.101 . . . . 0.0 110.307 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 324' ' ' LEU . . . . . 0.838 HD21 HD21 ' A' ' 309' ' ' LEU . 38.0 tp -57.4 -42.18 81.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 109.26 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . 0.493 ' CA ' ' O ' ' A' ' 330' ' ' ILE . . . -67.72 -32.4 78.02 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -71.98 -26.32 62.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 0.769 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 327' ' ' LEU . . . . . 0.564 HD23 HD12 ' A' ' 324' ' ' LEU . 0.7 OUTLIER -75.95 -38.22 57.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.264 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 328' ' ' LEU . . . . . 0.599 ' O ' HG23 ' A' ' 330' ' ' ILE . 0.1 OUTLIER -95.45 3.47 54.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 65.23 9.67 5.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.253 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 330' ' ' ILE . . . . . 0.599 HG23 ' O ' ' A' ' 328' ' ' LEU . 3.3 pt -104.35 164.3 15.54 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 331' ' ' PRO . . . . . 0.476 ' HD2' ' CB ' ' A' ' 334' ' ' LYS . 18.3 Cg_endo -75.04 160.62 39.81 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.519 1.8 . . . . 0.0 110.983 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 332' ' ' ALA . . . . . 0.714 ' HB1' ' CB ' ' A' ' 321' ' ' PHE . . . -58.28 -41.03 83.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.26 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -58.47 -35.21 71.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 334' ' ' LYS . . . . . 0.492 ' CG ' HD12 ' A' ' 330' ' ' ILE . 2.6 tptt -75.37 -48.42 23.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 335' ' ' ALA . . . . . 0.508 ' O ' ' CB ' ' A' ' 339' ' ' ALA . . . -63.66 -30.51 71.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.102 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 332' ' ' ALA . 8.9 tt0 -71.07 -47.25 59.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 110.276 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 11.9 mtmt -67.27 -45.77 75.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 338' ' ' ILE . . . . . 0.51 HD12 ' CD1' ' A' ' 330' ' ' ILE . 72.8 mt -64.12 -47.03 91.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 339' ' ' ALA . . . . . 0.508 ' CB ' ' O ' ' A' ' 335' ' ' ALA . . . -56.81 -45.33 82.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.58 -43.86 71.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 110.008 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -60.02 -36.45 77.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.3 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 342' ' ' MET . . . . . 0.475 ' HE2' HD21 ' A' ' 310' ' ' LEU . 9.3 mtp -63.07 -49.04 76.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 111.002 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 343' ' ' ILE . . . . . 0.531 HG13 ' HE2' ' A' ' 348' ' ' MET . 75.0 mt -68.15 -36.53 75.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 11.9 m -65.99 -34.31 77.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.38 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -80.47 -3.82 51.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.313 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 75.25 2.12 66.18 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.497 1.123 . . . . 0.0 110.977 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 347' ' ' ARG . . . . . 0.533 ' O ' HD11 ' A' ' 310' ' ' LEU . 60.5 mtt180 -69.94 -27.45 64.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 0.755 . . . . 0.0 110.366 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 348' ' ' MET . . . . . 0.531 ' HE2' HG13 ' A' ' 343' ' ' ILE . 35.4 ttp -122.38 164.66 17.6 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 111.023 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -126.51 132.31 51.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.086 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 136.67 -169.53 23.79 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.462 1.101 . . . . 0.0 110.984 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 351' ' ' PHE . . . . . . . . . . . . . 33.6 p90 -143.99 155.46 44.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 0.754 . . . . 0.0 110.987 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 18.6 mt -98.76 120.92 48.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 353' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -83.27 109.91 17.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.143 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -84.73 -18.33 35.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 18.9 mt -67.65 -40.07 83.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -109.33 -14.98 14.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 357' ' ' GLY . . . . . 0.405 ' O ' ' CE2' ' A' ' 321' ' ' PHE . . . 71.01 26.87 73.13 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.525 1.141 . . . . 0.0 111.019 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 358' ' ' ILE . . . . . . . . . . . . . 76.4 mt -107.68 144.37 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 0.772 . . . . 0.0 109.298 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 359' ' ' VAL . . . . . . . . . . . . . 48.4 t -89.67 118.04 34.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 360' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -87.43 110.91 20.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.537 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 361' ' ' PHE . . . . . 0.439 ' HZ ' HD23 ' A' ' 309' ' ' LEU . 8.3 m-85 -97.96 148.94 22.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 111.047 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -81.81 147.82 29.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 110.316 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 363' ' ' THR . . . . . . . . . . . . . 44.3 p -107.94 137.85 45.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.394 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 364' ' ' ARG . . . . . . . . . . . . . 2.2 mmt180 -139.02 68.94 1.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.333 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 365' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.14 150.94 30.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 110.299 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 366' ' ' ALA . . . . . . . . . . . . . . . -103.45 116.23 32.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 11.6 m 63.83 83.01 0.17 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.04 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 368' ' ' GLY . . . . . . . . . . . . . . . -155.93 155.97 26.7 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.455 1.097 . . . . 0.0 111.017 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 369' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 55.82 4.05 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.532 1.806 . . . . 0.0 111.019 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.71 -62.79 1.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.988 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 371' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 60.66 103.75 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 110.019 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 372' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.515 1.134 . . . . 0.0 110.999 -179.988 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 290' ' ' SER . . . . . . . . . . . . . 3.5 t 54.01 87.44 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 0.775 . . . . 0.0 110.008 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 291' ' ' SER . . . . . . . . . . . . . 79.9 p -148.89 140.06 23.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.125 . . . . 0.0 109.993 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 292' ' ' GLY . . . . . . . . . . . . . . . -68.17 -99.61 0.03 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.554 1.159 . . . . 0.0 110.986 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 293' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 63.61 -85.55 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 0.773 . . . . 0.0 110.01 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 294' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 76.71 88.9 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 110.016 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . -129.13 127.72 5.61 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.513 1.133 . . . . 0.0 110.985 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 296' ' ' GLY . . . . . . . . . . . . . . . 158.87 -97.59 0.16 Allowed Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 297' ' ' SER . . . . . . . . . . . . . 45.3 t -146.18 114.33 6.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 0.763 . . . . 0.0 109.97 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 298' ' ' SER . . . . . . . . . . . . . 3.2 m -147.61 84.31 1.55 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 110.008 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 299' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -124.5 108.15 19.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -40.47 106.14 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.368 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 301' ' ' ASP . . . . . 0.502 ' HB3' HG23 ' A' ' 304' ' ' VAL . 0.4 OUTLIER -92.98 107.63 19.37 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 302' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -62.96 -33.56 75.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.334 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -63.13 -32.88 74.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 304' ' ' VAL . . . . . 0.502 HG23 ' HB3' ' A' ' 301' ' ' ASP . 51.8 t -71.05 -46.46 66.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 305' ' ' ILE . . . . . . . . . . . . . 7.3 mt -61.54 -43.27 96.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -57.83 -49.19 77.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.308 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 28.6 t60 -67.8 -45.96 73.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.643 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 308' ' ' ASN . . . . . 0.491 ' ND2' HG12 ' A' ' 304' ' ' VAL . 68.2 m-20 -55.3 -39.06 69.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 309' ' ' LEU . . . . . 0.592 HD22 HG22 ' A' ' 338' ' ' ILE . 1.1 tp -62.88 -39.42 94.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 310' ' ' LEU . . . . . 0.433 HD21 ' O ' ' A' ' 347' ' ' ARG . 23.5 mt -73.88 -39.77 63.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 311' ' ' SER . . . . . 0.751 ' O ' HD12 ' A' ' 315' ' ' LEU . 39.6 m -68.02 -44.87 75.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.989 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -64.84 -22.38 66.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 313' ' ' SER . . . . . 0.495 ' HA ' ' CG ' ' A' ' 361' ' ' PHE . 2.6 p -72.94 -41.04 64.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.023 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 314' ' ' LYS . . . . . . . . . . . . . 22.5 mttt -83.47 -12.23 56.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 315' ' ' LEU . . . . . 0.751 HD12 ' O ' ' A' ' 311' ' ' SER . 1.5 mt -97.27 -84.09 0.38 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -69.1 128.36 36.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 110.975 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 317' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -68.77 -39.15 80.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -151.43 135.43 16.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 319' ' ' ILE . . . . . 0.509 HG21 HD13 ' A' ' 324' ' ' LEU . 20.0 tt -146.72 147.3 17.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . 24.4 p -88.86 161.69 16.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.386 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 321' ' ' PHE . . . . . 0.698 ' HB3' ' HB1' ' A' ' 332' ' ' ALA . 33.5 m-85 -55.79 -38.58 70.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 111.033 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -61.77 -49.23 77.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.347 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -71.6 -44.11 65.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.303 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 324' ' ' LEU . . . . . 0.515 ' O ' ' CD1' ' A' ' 328' ' ' LEU . 15.8 tp -57.31 -42.75 82.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . 0.486 ' O ' ' N ' ' A' ' 330' ' ' ILE . . . -74.69 -33.0 56.62 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.52 1.138 . . . . 0.0 110.975 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -67.9 -28.57 67.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 0.782 . . . . 0.0 109.328 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.76 -41.97 51.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 328' ' ' LEU . . . . . 0.594 ' O ' HG23 ' A' ' 330' ' ' ILE . 0.1 OUTLIER -88.81 3.65 50.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 65.41 9.29 5.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 330' ' ' ILE . . . . . 0.594 HG23 ' O ' ' A' ' 328' ' ' LEU . 3.8 pt -102.89 163.11 18.21 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 331' ' ' PRO . . . . . 0.429 ' HD2' ' HB ' ' A' ' 330' ' ' ILE . 18.6 Cg_endo -74.98 156.83 43.09 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.464 1.77 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 332' ' ' ALA . . . . . 0.698 ' HB1' ' HB3' ' A' ' 321' ' ' PHE . . . -58.47 -33.23 69.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -63.63 -39.13 93.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 334' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -75.16 -47.82 26.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 335' ' ' ALA . . . . . 0.497 ' O ' ' CB ' ' A' ' 339' ' ' ALA . . . -64.24 -30.71 71.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . 0.422 ' CB ' ' O ' ' A' ' 332' ' ' ALA . 7.5 tt0 -70.88 -47.0 61.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 9.3 tppt? -66.66 -45.77 77.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.353 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 338' ' ' ILE . . . . . 0.592 HG22 HD22 ' A' ' 309' ' ' LEU . 90.1 mt -64.64 -47.33 89.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 339' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 335' ' ' ALA . . . -56.81 -42.89 80.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 109.268 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -71.21 -47.51 56.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 110.0 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -59.66 -38.6 81.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 110.287 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 342' ' ' MET . . . . . 0.406 ' HG3' ' CD2' ' A' ' 309' ' ' LEU . 29.0 mmm -62.84 -42.29 99.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 110.993 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 343' ' ' ILE . . . . . 0.495 HG13 ' HE1' ' A' ' 348' ' ' MET . 35.5 mt -67.73 -37.44 78.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 1.4 m -72.17 -27.01 62.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.42 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -83.24 -8.94 59.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.288 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 89.94 -30.02 6.09 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.48 1.112 . . . . 0.0 110.983 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 347' ' ' ARG . . . . . 0.433 ' O ' HD21 ' A' ' 310' ' ' LEU . 16.2 mtt85 -39.27 -52.66 1.98 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 0.782 . . . . 0.0 110.264 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 348' ' ' MET . . . . . 0.495 ' HE1' HG13 ' A' ' 343' ' ' ILE . 1.8 ttp -85.48 174.54 9.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.971 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -145.32 114.38 6.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.579 1.175 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 142.22 -155.03 25.39 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.532 1.145 . . . . 0.0 111.041 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 351' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -146.16 162.85 37.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 0.767 . . . . 0.0 110.996 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 12.0 mt -104.14 114.08 42.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.351 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 353' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 357' ' ' GLY . 64.7 t0 -76.59 110.08 10.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -83.18 -19.11 37.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 110.298 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 13.2 mt -66.86 -41.7 88.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -110.16 -14.48 14.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 357' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 353' ' ' ASP . . . 69.42 33.86 73.27 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.467 1.104 . . . . 0.0 110.977 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 358' ' ' ILE . . . . . . . . . . . . . 12.3 mt -111.54 147.3 15.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.456 0.739 . . . . 0.0 109.312 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 359' ' ' VAL . . . . . . . . . . . . . 62.0 t -88.38 119.55 35.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.312 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 360' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -91.99 110.77 22.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.618 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 361' ' ' PHE . . . . . 0.495 ' CG ' ' HA ' ' A' ' 313' ' ' SER . 12.9 m-85 -97.99 146.05 25.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 362' ' ' GLU . . . . . 0.423 ' HA ' ' OE1' ' A' ' 362' ' ' GLU . 4.6 tp10 -93.53 145.95 24.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 110.288 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 363' ' ' THR . . . . . . . . . . . . . 7.5 p -109.71 133.33 53.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.406 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 364' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -122.47 71.98 1.04 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 110.316 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 365' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -66.83 141.27 57.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.285 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 366' ' ' ALA . . . . . . . . . . . . . . . 43.44 77.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.36 125.76 51.54 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.473 1.108 . . . . 0.0 110.034 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 368' ' ' GLY . . . . . . . . . . . . . . . 140.79 -85.68 0.2 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.544 1.152 . . . . 0.0 110.963 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 369' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -70.13 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.464 1.771 . . . . 0.0 110.989 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 39.6 p -107.72 176.68 5.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.018 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 371' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.98 81.79 1.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 110.017 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 372' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.486 1.116 . . . . 0.0 110.944 180.0 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 290' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 54.13 82.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 0.762 . . . . 0.0 110.017 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 291' ' ' SER . . . . . . . . . . . . . 12.1 p -123.33 133.62 54.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.015 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 292' ' ' GLY . . . . . . . . . . . . . . . 130.85 -152.1 19.81 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.461 1.101 . . . . 0.0 110.972 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 293' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -118.64 167.29 11.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 0.759 . . . . 0.0 110.033 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 294' ' ' SER . . . . . . . . . . . . . 38.1 t -143.98 115.07 7.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.997 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 107.26 -172.16 17.51 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.5 1.125 . . . . 0.0 111.023 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 296' ' ' GLY . . . . . . . . . . . . . . . 173.94 -89.35 0.08 OUTLIER Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 297' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.57 100.41 0.19 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 0.754 . . . . 0.0 110.004 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 298' ' ' SER . . . . . . . . . . . . . 6.4 t -174.63 -177.02 1.11 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 110.001 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 299' ' ' ILE . . . . . 0.665 ' O ' HG22 ' A' ' 299' ' ' ILE . 47.7 mm -111.61 28.54 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 300' ' ' LEU . . . . . 0.591 HD12 HD11 ' A' ' 305' ' ' ILE . 0.1 OUTLIER -148.7 118.65 7.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.337 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 301' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -96.98 107.06 19.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 302' ' ' ARG . . . . . . . . . . . . . 4.0 ttt-85 -69.48 -33.91 73.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.31 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -68.79 -33.35 73.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 304' ' ' VAL . . . . . . . . . . . . . 17.5 t -69.27 -46.18 77.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 305' ' ' ILE . . . . . 0.738 HG23 HD13 ' A' ' 328' ' ' LEU . 13.6 mt -59.82 -39.94 81.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 306' ' ' GLU . . . . . 0.434 ' OE1' ' CD ' ' A' ' 347' ' ' ARG . 2.1 mt-10 -63.49 -45.99 88.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 12.7 t60 -67.91 -45.78 73.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.127 . . . . 0.0 109.585 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 308' ' ' ASN . . . . . 0.5 ' HB3' ' CD2' ' A' ' 328' ' ' LEU . 0.6 OUTLIER -56.18 -43.86 78.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 309' ' ' LEU . . . . . 0.595 HD22 ' SD ' ' A' ' 342' ' ' MET . 0.5 OUTLIER -62.21 -35.59 79.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 310' ' ' LEU . . . . . . . . . . . . . 84.8 mt -73.15 -42.08 63.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.52 1.138 . . . . 0.0 109.338 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.17 -45.15 70.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 110.016 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -62.5 -21.98 65.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 313' ' ' SER . . . . . 0.517 ' HA ' ' CD2' ' A' ' 361' ' ' PHE . 1.4 p -68.59 -43.7 75.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.013 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 314' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.83 -18.94 55.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.34 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 2.0 mt -89.57 -84.78 0.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.258 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -71.61 156.79 39.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 317' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -96.68 -44.06 7.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -144.34 135.47 25.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 319' ' ' ILE . . . . . 0.879 ' O ' HG22 ' A' ' 359' ' ' VAL . 4.9 tt -146.57 144.11 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 320' ' ' THR . . . . . 0.697 HG23 ' H ' ' A' ' 323' ' ' GLU . 6.5 t -85.69 159.68 19.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.41 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 321' ' ' PHE . . . . . 0.869 ' CB ' ' HB1' ' A' ' 332' ' ' ALA . 16.6 m-85 -55.43 -35.82 65.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 111.031 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -64.33 -48.89 73.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.282 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 323' ' ' GLU . . . . . 0.697 ' H ' HG23 ' A' ' 320' ' ' THR . 19.7 mm-40 -69.92 -48.31 59.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.327 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 324' ' ' LEU . . . . . 0.984 ' CD2' HD11 ' A' ' 328' ' ' LEU . 4.8 tt -57.44 -42.27 82.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . 0.463 ' O ' ' N ' ' A' ' 330' ' ' ILE . . . -69.8 -32.23 70.33 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.549 1.155 . . . . 0.0 111.0 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -70.99 -26.59 63.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 0.789 . . . . 0.0 109.304 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 327' ' ' LEU . . . . . 0.431 HD12 ' O ' ' A' ' 327' ' ' LEU . 0.4 OUTLIER -75.36 -39.45 59.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.312 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 328' ' ' LEU . . . . . 0.984 HD11 ' CD2' ' A' ' 324' ' ' LEU . 0.2 OUTLIER -93.26 3.24 55.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 65.33 9.75 5.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.34 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 330' ' ' ILE . . . . . 0.594 HG23 ' O ' ' A' ' 328' ' ' LEU . 3.6 pt -103.3 164.6 15.15 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 331' ' ' PRO . . . . . 0.464 ' HD2' ' CB ' ' A' ' 334' ' ' LYS . 18.3 Cg_endo -74.97 158.94 42.02 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.53 1.805 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 332' ' ' ALA . . . . . 0.869 ' HB1' ' CB ' ' A' ' 321' ' ' PHE . . . -58.85 -32.52 69.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -65.65 -36.88 84.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 334' ' ' LYS . . . . . 0.464 ' CB ' ' HD2' ' A' ' 331' ' ' PRO . 0.0 OUTLIER -75.11 -48.34 24.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 335' ' ' ALA . . . . . 0.623 ' HB1' HD22 ' A' ' 324' ' ' LEU . . . -65.77 -34.01 77.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.232 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . 0.483 ' CB ' ' O ' ' A' ' 332' ' ' ALA . 5.2 tt0 -71.58 -47.82 52.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 110.334 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.87 -46.11 83.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 109.226 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 338' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 334' ' ' LYS . 55.6 mt -65.06 -47.67 86.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 109.309 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 339' ' ' ALA . . . . . 0.511 ' CB ' ' O ' ' A' ' 335' ' ' ALA . . . -56.22 -44.74 79.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -69.52 -44.99 69.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.981 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -59.74 -36.36 76.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.279 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 342' ' ' MET . . . . . 0.595 ' SD ' HD22 ' A' ' 309' ' ' LEU . 82.9 mtp -65.48 -49.42 69.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 111.035 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 343' ' ' ILE . . . . . . . . . . . . . 31.7 mt -60.17 -39.33 80.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 4.6 m -67.67 -29.06 68.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.391 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -83.09 -9.15 59.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 90.15 -30.47 5.9 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.541 1.151 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 347' ' ' ARG . . . . . 0.434 ' CD ' ' OE1' ' A' ' 306' ' ' GLU . 48.3 mtt-85 -38.7 -48.63 1.5 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 0.787 . . . . 0.0 110.297 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 13.6 ttp -103.02 155.65 18.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 110.988 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -122.76 131.63 53.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.348 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 135.91 -162.12 24.93 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.507 1.13 . . . . 0.0 110.954 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 351' ' ' PHE . . . . . . . . . . . . . 11.0 p90 -146.15 150.06 35.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 0.799 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 352' ' ' ILE . . . . . 0.771 HG12 HG12 ' A' ' 359' ' ' VAL . 5.2 mt -94.32 111.41 25.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.335 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 353' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 357' ' ' GLY . 58.4 t0 -72.01 114.1 9.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -83.86 -17.86 39.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 110.289 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 37.9 mt -69.53 -40.33 79.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -110.52 -15.05 13.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.325 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 357' ' ' GLY . . . . . 0.566 ' O ' ' CE2' ' A' ' 321' ' ' PHE . . . 66.0 34.18 87.68 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.533 1.146 . . . . 0.0 110.968 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 358' ' ' ILE . . . . . 0.449 HG23 ' C ' ' A' ' 319' ' ' ILE . 89.7 mt -116.93 141.79 33.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 0.771 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 359' ' ' VAL . . . . . 0.898 HG21 HD12 ' A' ' 324' ' ' LEU . 29.2 m -83.14 140.18 16.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 360' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -113.18 110.6 20.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.597 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 361' ' ' PHE . . . . . 0.517 ' CD2' ' HA ' ' A' ' 313' ' ' SER . 15.2 m-85 -93.26 147.13 23.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 111.01 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -81.71 149.18 28.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.29 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 363' ' ' THR . . . . . . . . . . . . . 1.7 t -105.76 147.01 29.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.397 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 364' ' ' ARG . . . . . 0.499 ' CD ' ' C ' ' A' ' 364' ' ' ARG . 0.0 OUTLIER -69.3 150.77 47.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.268 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 365' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -79.56 126.94 31.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 110.304 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 366' ' ' ALA . . . . . 0.45 ' HB2' ' NE ' ' A' ' 364' ' ' ARG . . . -146.92 112.9 5.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.84 156.1 26.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.016 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 368' ' ' GLY . . . . . . . . . . . . . . . 168.84 -177.51 42.64 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 369' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -50.35 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.508 1.794 . . . . 0.0 111.012 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 61.7 p -166.29 83.26 0.29 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.022 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 371' ' ' SER . . . . . . . . . . . . . 85.4 p 43.14 88.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.981 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 372' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.517 1.136 . . . . 0.0 110.992 -179.99 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.052 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 290' ' ' SER . . . . . . . . . . . . . 41.0 t -148.64 96.82 2.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 0.775 . . . . 0.0 109.988 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 291' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 59.48 154.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.012 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 292' ' ' GLY . . . . . . . . . . . . . . . 125.38 75.93 0.26 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.468 1.105 . . . . 0.0 111.053 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 293' ' ' SER . . . . . . . . . . . . . 54.9 p -173.26 107.53 0.15 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 0.757 . . . . 0.0 109.957 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 294' ' ' SER . . . . . . . . . . . . . 72.1 p 178.75 128.69 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.99 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 125.79 141.72 5.61 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.527 1.142 . . . . 0.0 110.975 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 296' ' ' GLY . . . . . . . . . . . . . . . -116.01 56.3 0.52 Allowed Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 297' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -175.83 -63.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 0.779 . . . . 0.0 110.0 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 298' ' ' SER . . . . . 0.438 ' C ' ' N ' ' A' ' 300' ' ' LEU . 33.3 p -91.97 -18.24 23.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.986 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 299' ' ' ILE . . . . . 0.746 ' O ' HG22 ' A' ' 299' ' ' ILE . 3.3 mt 40.78 29.23 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 300' ' ' LEU . . . . . 0.438 ' N ' ' C ' ' A' ' 298' ' ' SER . 0.1 OUTLIER -41.04 106.25 0.05 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 301' ' ' ASP . . . . . 0.442 ' HB2' ' CG2' ' A' ' 304' ' ' VAL . 10.3 m-20 -96.18 107.7 20.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.25 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 302' ' ' ARG . . . . . 0.435 ' HB2' ' NH1' ' A' ' 302' ' ' ARG . 0.9 OUTLIER -57.86 -33.32 68.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.311 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -58.7 -34.88 71.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 304' ' ' VAL . . . . . 0.506 HG12 HD21 ' A' ' 308' ' ' ASN . 75.6 t -68.03 -45.98 82.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 305' ' ' ILE . . . . . 0.618 HG21 HD13 ' A' ' 338' ' ' ILE . 1.2 mp -59.76 -38.3 75.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 306' ' ' GLU . . . . . 0.434 ' OE1' ' NH1' ' A' ' 347' ' ' ARG . 22.8 mt-10 -63.27 -50.81 68.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.326 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 52.0 t60 -63.15 -43.57 97.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.609 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 308' ' ' ASN . . . . . 0.506 HD21 HG12 ' A' ' 304' ' ' VAL . 59.5 m-20 -54.61 -39.48 67.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 309' ' ' LEU . . . . . 0.462 ' CD2' ' HA ' ' A' ' 339' ' ' ALA . 1.3 mp -63.82 -50.18 69.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 310' ' ' LEU . . . . . 0.642 HD21 ' CE ' ' A' ' 342' ' ' MET . 0.2 OUTLIER -63.75 -45.09 91.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.1 -36.9 80.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.999 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -70.44 -28.78 65.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 313' ' ' SER . . . . . . . . . . . . . 4.9 p -63.25 -39.23 94.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 110.024 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 314' ' ' LYS . . . . . . . . . . . . . 40.9 mtmt -80.54 -27.82 37.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 109.278 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 315' ' ' LEU . . . . . . . . . . . . . 1.6 mt -81.17 -86.29 0.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -73.17 154.57 40.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 317' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -92.28 -41.56 10.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -147.4 135.9 21.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.435 1.085 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 319' ' ' ILE . . . . . 0.519 HG23 HD12 ' A' ' 324' ' ' LEU . 4.6 tt -146.44 146.67 18.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 320' ' ' THR . . . . . 0.552 HG22 HG12 ' A' ' 358' ' ' ILE . 82.2 p -86.19 160.16 19.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 110.395 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 321' ' ' PHE . . . . . 0.739 ' CB ' ' HB1' ' A' ' 332' ' ' ALA . 42.0 m-85 -55.85 -39.09 70.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -62.69 -49.22 75.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.298 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -69.45 -46.91 65.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 110.297 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 324' ' ' LEU . . . . . 1.019 ' CD2' HD11 ' A' ' 328' ' ' LEU . 4.2 tt -57.22 -43.65 83.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.288 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . 0.491 ' CA ' ' O ' ' A' ' 330' ' ' ILE . . . -67.82 -32.51 77.88 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.503 1.127 . . . . 0.0 111.016 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -72.38 -25.77 61.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 0.767 . . . . 0.0 109.269 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 327' ' ' LEU . . . . . 0.426 HD12 ' O ' ' A' ' 327' ' ' LEU . 0.4 OUTLIER -75.28 -37.9 60.68 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.467 1.105 . . . . 0.0 109.288 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 328' ' ' LEU . . . . . 1.019 HD11 ' CD2' ' A' ' 324' ' ' LEU . 0.1 OUTLIER -95.1 -3.58 47.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.102 . . . . 0.0 109.297 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 75.65 1.16 3.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.298 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 330' ' ' ILE . . . . . 0.491 ' O ' ' CA ' ' A' ' 325' ' ' GLY . 5.5 pt -96.31 163.0 21.72 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 331' ' ' PRO . . . . . 0.465 ' HD2' ' CB ' ' A' ' 334' ' ' LYS . 18.4 Cg_endo -74.92 160.63 40.15 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.48 1.779 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 332' ' ' ALA . . . . . 0.739 ' HB1' ' CB ' ' A' ' 321' ' ' PHE . . . -58.98 -36.39 74.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.273 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -62.32 -36.99 83.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.443 1.089 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 334' ' ' LYS . . . . . 0.465 ' CB ' ' HD2' ' A' ' 331' ' ' PRO . 0.0 OUTLIER -75.17 -47.92 26.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 335' ' ' ALA . . . . . 0.508 ' HB1' HD22 ' A' ' 324' ' ' LEU . . . -64.62 -31.25 72.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 332' ' ' ALA . 6.6 tt0 -71.13 -47.11 59.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 14.1 mmtt -65.6 -46.07 80.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 338' ' ' ILE . . . . . 0.618 HD13 HG21 ' A' ' 305' ' ' ILE . 90.4 mt -63.86 -47.51 90.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 339' ' ' ALA . . . . . 0.462 ' HA ' ' CD2' ' A' ' 309' ' ' LEU . . . -56.58 -44.71 81.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.54 -42.55 67.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.007 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -59.81 -40.26 87.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.122 . . . . 0.0 110.285 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 342' ' ' MET . . . . . 0.642 ' CE ' HD21 ' A' ' 310' ' ' LEU . 44.1 mmm -62.89 -49.06 76.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 343' ' ' ILE . . . . . 0.581 HD11 ' HE3' ' A' ' 348' ' ' MET . 79.4 mt -68.01 -42.53 85.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 2.3 m -59.59 -29.61 68.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.401 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -90.99 -9.14 47.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.269 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 346' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 347' ' ' ARG . . . 90.18 -26.22 10.61 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.496 1.122 . . . . 0.0 111.006 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 347' ' ' ARG . . . . . 0.434 ' NH1' ' OE1' ' A' ' 306' ' ' GLU . 27.1 mtt180 -38.84 -34.76 0.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 0.742 . . . . 0.0 110.273 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 348' ' ' MET . . . . . 0.581 ' HE3' HD11 ' A' ' 343' ' ' ILE . 43.6 ttp -123.28 145.94 48.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -106.4 132.5 52.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.263 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 137.75 -174.46 21.83 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.51 1.131 . . . . 0.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 351' ' ' PHE . . . . . 0.43 ' CD1' ' C ' ' A' ' 351' ' ' PHE . 11.7 p90 -142.34 152.04 42.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 0.773 . . . . 0.0 110.979 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 35.8 mt -94.31 122.39 45.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 353' ' ' ASP . . . . . . . . . . . . . 54.5 t0 -84.2 110.06 18.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 109.322 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -84.0 -19.44 34.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 110.269 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 9.9 mm -65.91 -40.92 88.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 109.333 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -108.68 -15.01 14.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . 69.29 33.99 74.2 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.496 1.123 . . . . 0.0 111.026 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 358' ' ' ILE . . . . . 0.552 HG12 HG22 ' A' ' 320' ' ' THR . 41.7 mt -118.35 148.05 21.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 0.746 . . . . 0.0 109.29 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 359' ' ' VAL . . . . . . . . . . . . . 40.9 t -87.88 140.0 16.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 360' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -112.35 111.06 21.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.544 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 361' ' ' PHE . . . . . 0.625 ' HZ ' HD11 ' A' ' 324' ' ' LEU . 12.8 m-85 -99.45 146.27 26.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -80.03 133.12 36.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 363' ' ' THR . . . . . . . . . . . . . 4.2 p -111.82 146.33 37.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.367 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 364' ' ' ARG . . . . . 0.498 ' N ' ' CD ' ' A' ' 364' ' ' ARG . 0.0 OUTLIER -120.58 81.32 1.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.281 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 365' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -110.79 169.2 8.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 366' ' ' ALA . . . . . . . . . . . . . . . -137.14 140.91 42.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 5.6 t -88.22 -58.0 2.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.127 . . . . 0.0 109.965 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 368' ' ' GLY . . . . . . . . . . . . . . . -49.37 175.04 0.04 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.564 1.165 . . . . 0.0 110.986 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 369' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 80.88 2.35 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.519 1.8 . . . . 0.0 110.959 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 8.5 t 54.97 169.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.02 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 371' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.43 -58.59 1.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.03 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 372' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.478 1.111 . . . . 0.0 111.057 -179.962 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 290' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 61.85 113.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 0.752 . . . . 0.0 110.0 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 291' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.02 152.02 0.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.043 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 292' ' ' GLY . . . . . . . . . . . . . . . -140.49 172.97 23.32 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.478 1.111 . . . . 0.0 111.045 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 293' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -164.8 -57.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 0.733 . . . . 0.0 109.973 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 294' ' ' SER . . . . . . . . . . . . . 69.1 m -152.08 78.93 1.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.019 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . -140.91 -178.11 16.92 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.555 1.159 . . . . 0.0 111.021 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 296' ' ' GLY . . . . . . . . . . . . . . . -133.53 -103.2 0.81 Allowed Glycine 0 CA--C 1.529 0.965 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 297' ' ' SER . . . . . . . . . . . . . 3.5 m -140.49 126.41 19.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 0.739 . . . . 0.0 110.024 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 298' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 171.54 -178.57 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.014 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 299' ' ' ILE . . . . . 0.468 ' O ' HG22 ' A' ' 299' ' ' ILE . 4.5 mm -103.61 26.29 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -40.73 109.37 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 301' ' ' ASP . . . . . 0.556 ' O ' HG12 ' A' ' 304' ' ' VAL . 4.2 m-20 -75.95 107.53 8.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 302' ' ' ARG . . . . . 0.495 ' HA ' HD12 ' A' ' 305' ' ' ILE . 0.0 OUTLIER -66.83 -26.43 66.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.257 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -63.99 -41.46 97.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 304' ' ' VAL . . . . . 0.556 HG12 ' O ' ' A' ' 301' ' ' ASP . 0.3 OUTLIER -59.36 -42.07 86.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 305' ' ' ILE . . . . . 0.552 ' HA ' HD22 ' A' ' 328' ' ' LEU . 12.3 mt -65.56 -41.94 91.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 306' ' ' GLU . . . . . 0.422 ' OE2' ' CD ' ' A' ' 347' ' ' ARG . 38.1 mt-10 -69.74 -40.58 76.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 110.312 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -65.86 -47.12 75.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.105 . . . . 0.0 109.565 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 308' ' ' ASN . . . . . 0.796 ' OD1' HD11 ' A' ' 327' ' ' LEU . 1.4 m-20 -58.91 -40.99 86.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 309' ' ' LEU . . . . . 0.791 HD21 HD21 ' A' ' 324' ' ' LEU . 0.5 OUTLIER -62.67 -47.54 83.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.107 . . . . 0.0 109.287 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 310' ' ' LEU . . . . . 0.632 HD21 ' O ' ' A' ' 347' ' ' ARG . 31.6 mt -67.81 -37.37 81.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 311' ' ' SER . . . . . 0.503 ' O ' HD12 ' A' ' 315' ' ' LEU . 0.5 OUTLIER -66.91 -40.39 87.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.959 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -71.58 -21.71 61.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 313' ' ' SER . . . . . 0.516 ' HA ' ' CG ' ' A' ' 361' ' ' PHE . 4.0 p -63.78 -35.92 82.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 110.013 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 314' ' ' LYS . . . . . 0.417 ' HG2' ' N ' ' A' ' 315' ' ' LEU . 0.0 OUTLIER -96.72 -33.4 11.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.242 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 315' ' ' LEU . . . . . 0.503 HD12 ' O ' ' A' ' 311' ' ' SER . 2.2 mt -73.26 -70.86 0.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -80.97 145.26 31.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 110.998 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 317' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -89.79 -30.02 18.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.564 1.165 . . . . 0.0 109.344 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -159.17 135.94 9.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 319' ' ' ILE . . . . . 0.88 ' O ' HG22 ' A' ' 359' ' ' VAL . 16.4 tt -146.29 147.17 18.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 320' ' ' THR . . . . . 0.555 HG23 ' H ' ' A' ' 323' ' ' GLU . 10.3 t -91.96 170.31 9.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.382 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 321' ' ' PHE . . . . . 0.494 ' HB3' ' HB1' ' A' ' 332' ' ' ALA . 25.1 m-85 -62.94 -32.14 73.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -68.18 -49.36 61.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 110.302 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 323' ' ' GLU . . . . . 0.555 ' H ' HG23 ' A' ' 320' ' ' THR . 67.8 mt-10 -72.26 -42.33 65.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 110.268 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 324' ' ' LEU . . . . . 0.836 HD22 HG21 ' A' ' 359' ' ' VAL . 12.9 tp -57.36 -42.84 82.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . 0.496 ' O ' ' N ' ' A' ' 330' ' ' ILE . . . -74.48 -33.16 56.74 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.535 1.147 . . . . 0.0 110.997 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -67.89 -28.52 67.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 0.743 . . . . 0.0 109.313 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 327' ' ' LEU . . . . . 0.796 HD11 ' OD1' ' A' ' 308' ' ' ASN . 0.8 OUTLIER -75.98 -42.03 49.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 328' ' ' LEU . . . . . 0.561 HD23 ' CB ' ' A' ' 308' ' ' ASN . 0.1 OUTLIER -90.27 3.8 52.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 329' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 325' ' ' GLY . 11.6 mt-10 65.83 7.95 4.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.305 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 330' ' ' ILE . . . . . 0.542 HG23 ' O ' ' A' ' 328' ' ' LEU . 4.6 pt -98.89 164.67 16.43 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 331' ' ' PRO . . . . . 0.469 ' HD2' ' HB ' ' A' ' 330' ' ' ILE . 18.4 Cg_endo -74.95 162.66 36.86 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.505 1.792 . . . . 0.0 111.048 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 332' ' ' ALA . . . . . 0.494 ' HB1' ' HB3' ' A' ' 321' ' ' PHE . . . -58.47 -44.41 89.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.58 1.175 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -55.46 -36.39 66.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 334' ' ' LYS . . . . . 0.523 ' HB3' HD12 ' A' ' 330' ' ' ILE . 0.8 OUTLIER -75.11 -47.58 27.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 335' ' ' ALA . . . . . 0.521 ' O ' ' HB2' ' A' ' 339' ' ' ALA . . . -63.33 -30.78 71.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 332' ' ' ALA . 7.3 tt0 -71.25 -48.4 51.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 110.314 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -70.53 -45.67 65.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 109.33 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 338' ' ' ILE . . . . . 0.515 ' CG1' ' O ' ' A' ' 334' ' ' LYS . 2.1 mm -60.95 -44.88 98.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.35 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 339' ' ' ALA . . . . . 0.521 ' HB2' ' O ' ' A' ' 335' ' ' ALA . . . -57.23 -45.17 84.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.84 -42.13 74.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 109.984 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.85 -36.53 77.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.255 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 342' ' ' MET . . . . . 0.552 ' HE2' ' HB3' ' A' ' 347' ' ' ARG . 4.7 mtp -66.37 -42.57 87.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 111.001 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 343' ' ' ILE . . . . . . . . . . . . . 53.9 mt -67.58 -45.71 84.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 109.267 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 1.9 m -60.17 -33.1 71.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.386 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -79.88 -8.3 59.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.326 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 86.07 -15.62 47.71 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 347' ' ' ARG . . . . . 0.632 ' O ' HD21 ' A' ' 310' ' ' LEU . 62.8 mtt-85 -48.88 -52.63 23.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 0.751 . . . . 0.0 110.31 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 348' ' ' MET . . . . . 0.447 ' HG2' ' N ' ' A' ' 349' ' ' ASN . 11.1 ttm -103.61 144.2 31.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.993 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 349' ' ' ASN . . . . . 0.447 ' N ' ' HG2' ' A' ' 348' ' ' MET . 0.8 OUTLIER -110.04 130.29 55.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 109.297 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 139.63 -157.49 25.21 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.495 1.122 . . . . 0.0 111.025 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 351' ' ' PHE . . . . . . . . . . . . . 19.7 p90 -146.12 154.22 41.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 0.778 . . . . 0.0 110.995 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 352' ' ' ILE . . . . . 0.786 HG12 HG12 ' A' ' 359' ' ' VAL . 9.8 mt -94.22 121.85 45.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 353' ' ' ASP . . . . . 0.436 ' O ' ' CA ' ' A' ' 357' ' ' GLY . 58.8 t0 -82.07 110.02 16.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -85.08 -18.53 34.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 56.7 mt -68.82 -40.49 81.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -110.93 -14.87 13.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 357' ' ' GLY . . . . . 0.436 ' CA ' ' O ' ' A' ' 353' ' ' ASP . . . 70.56 34.02 67.52 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.539 1.149 . . . . 0.0 111.0 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 358' ' ' ILE . . . . . . . . . . . . . 97.0 mt -117.32 142.35 31.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.481 0.753 . . . . 0.0 109.304 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 359' ' ' VAL . . . . . 0.88 HG22 ' O ' ' A' ' 319' ' ' ILE . 29.4 m -86.16 136.17 23.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 360' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -104.55 117.62 34.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.598 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 361' ' ' PHE . . . . . 0.702 ' CE2' HG22 ' A' ' 319' ' ' ILE . 22.9 m-85 -95.01 154.64 17.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 111.03 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 362' ' ' GLU . . . . . 0.4 ' OE2' ' O ' ' A' ' 363' ' ' THR . 17.4 tp10 -111.91 146.38 37.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.275 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 363' ' ' THR . . . . . 0.4 ' O ' ' OE2' ' A' ' 362' ' ' GLU . 1.3 t -85.94 146.14 26.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 110.358 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 364' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.66 129.35 25.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.311 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 365' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.93 74.28 2.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.276 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 366' ' ' ALA . . . . . . . . . . . . . . . -70.59 -60.05 2.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.16 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 1.6 t -160.99 107.77 1.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.96 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 368' ' ' GLY . . . . . . . . . . . . . . . -175.7 -105.44 0.19 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.483 1.115 . . . . 0.0 111.033 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 369' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 67.84 5.86 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.5 1.789 . . . . 0.0 111.005 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.11 136.04 41.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.031 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 371' ' ' SER . . . . . . . . . . . . . 11.2 p -56.14 160.61 2.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.055 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 372' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.52 1.137 . . . . 0.0 111.001 -179.97 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 290' ' ' SER . . . . . . . . . . . . . 87.2 p -170.8 158.54 5.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 0.758 . . . . 0.0 110.018 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 291' ' ' SER . . . . . . . . . . . . . 14.0 m 58.78 168.22 0.06 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.476 1.11 . . . . 0.0 109.998 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 292' ' ' GLY . . . . . . . . . . . . . . . -171.63 157.03 27.1 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.47 1.106 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 293' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.79 151.8 26.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 0.752 . . . . 0.0 110.001 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 294' ' ' SER . . . . . . . . . . . . . 72.0 p -168.61 141.58 2.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.006 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . 174.6 -164.44 35.36 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.454 1.096 . . . . 0.0 110.992 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 296' ' ' GLY . . . . . . . . . . . . . . . -176.0 73.01 0.08 OUTLIER Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 297' ' ' SER . . . . . . . . . . . . . 3.6 t -169.78 88.78 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 0.765 . . . . 0.0 109.981 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 298' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 175.15 -175.54 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.994 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 299' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -122.67 27.77 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 300' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -150.39 117.79 6.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 301' ' ' ASP . . . . . 0.554 ' O ' HG12 ' A' ' 304' ' ' VAL . 4.9 m-20 -97.0 107.44 19.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 302' ' ' ARG . . . . . 0.656 ' HA ' HD12 ' A' ' 305' ' ' ILE . 0.9 OUTLIER -76.42 -26.91 56.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -64.68 -34.21 77.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 304' ' ' VAL . . . . . 0.554 HG12 ' O ' ' A' ' 301' ' ' ASP . 0.3 OUTLIER -59.38 -42.21 86.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.577 1.173 . . . . 0.0 109.301 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 305' ' ' ILE . . . . . 0.742 HG23 HD13 ' A' ' 328' ' ' LEU . 6.0 mt -65.47 -39.26 84.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -64.02 -42.08 97.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.293 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -70.85 -48.6 53.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.562 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 308' ' ' ASN . . . . . 0.478 ' HB3' ' CD2' ' A' ' 328' ' ' LEU . 1.4 m-80 -56.55 -39.17 72.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 309' ' ' LEU . . . . . 0.65 HD12 HG22 ' A' ' 305' ' ' ILE . 0.6 OUTLIER -62.83 -37.18 85.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 310' ' ' LEU . . . . . 0.507 HD21 ' O ' ' A' ' 347' ' ' ARG . 27.7 mt -74.08 -36.47 64.29 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 311' ' ' SER . . . . . 0.877 ' O ' HD12 ' A' ' 315' ' ' LEU . 0.5 OUTLIER -71.81 -44.8 63.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.008 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -60.82 -29.72 69.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 313' ' ' SER . . . . . 0.568 ' HA ' ' CD1' ' A' ' 361' ' ' PHE . 12.4 t -61.86 -44.84 96.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 0.0 110.044 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 314' ' ' LYS . . . . . . . . . . . . . 9.6 mtmm -101.44 35.13 2.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.157 . . . . 0.0 109.336 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 315' ' ' LEU . . . . . 0.877 HD12 ' O ' ' A' ' 311' ' ' SER . 4.9 mt -142.29 -67.09 0.39 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -86.24 120.26 27.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 317' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -56.72 -40.45 75.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -161.54 136.0 7.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.337 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 319' ' ' ILE . . . . . 0.411 ' CD1' ' HA ' ' A' ' 324' ' ' LEU . 5.3 tt -145.96 141.54 21.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . 66.8 p -84.07 167.43 16.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 110.393 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 321' ' ' PHE . . . . . 0.795 ' CB ' ' HB1' ' A' ' 332' ' ' ALA . 51.6 m-85 -61.66 -32.25 72.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.132 . . . . 0.0 111.018 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -66.44 -49.53 66.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -71.86 -45.9 59.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.337 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 324' ' ' LEU . . . . . 0.967 ' CD2' HD11 ' A' ' 328' ' ' LEU . 4.5 tt -57.14 -42.82 81.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . 0.489 ' O ' ' N ' ' A' ' 330' ' ' ILE . . . -71.38 -32.61 64.88 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.514 1.134 . . . . 0.0 111.018 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -69.45 -26.94 64.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 0.775 . . . . 0.0 109.323 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 327' ' ' LEU . . . . . 0.459 HD12 ' O ' ' A' ' 327' ' ' LEU . 0.6 OUTLIER -75.7 -39.91 56.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 328' ' ' LEU . . . . . 0.967 HD11 ' CD2' ' A' ' 324' ' ' LEU . 0.1 OUTLIER -92.31 4.13 53.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 65.41 9.69 5.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.276 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 330' ' ' ILE . . . . . 0.585 HG23 ' O ' ' A' ' 328' ' ' LEU . 3.7 pt -103.71 162.43 20.0 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 331' ' ' PRO . . . . . 0.452 ' HD2' ' CB ' ' A' ' 334' ' ' LYS . 18.1 Cg_endo -75.05 160.27 40.19 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.488 1.783 . . . . 0.0 110.957 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 332' ' ' ALA . . . . . 0.795 ' HB1' ' CB ' ' A' ' 321' ' ' PHE . . . -58.32 -40.93 83.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.327 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -58.44 -35.21 71.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 334' ' ' LYS . . . . . 0.452 ' CB ' ' HD2' ' A' ' 331' ' ' PRO . 9.6 tptt -75.21 -48.17 24.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 335' ' ' ALA . . . . . 0.509 ' O ' ' CB ' ' A' ' 339' ' ' ALA . . . -63.84 -30.67 71.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 332' ' ' ALA . 11.4 tt0 -70.77 -47.28 60.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.327 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 7.7 mttt -65.13 -45.48 84.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.275 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 338' ' ' ILE . . . . . 0.508 HG22 ' CD1' ' A' ' 309' ' ' LEU . 66.7 mt -66.34 -45.83 88.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 339' ' ' ALA . . . . . 0.509 ' CB ' ' O ' ' A' ' 335' ' ' ALA . . . -56.89 -45.69 82.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.82 -39.87 69.52 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 110.021 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -63.83 -39.51 94.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.153 . . . . 0.0 110.36 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 342' ' ' MET . . . . . 0.403 ' HG3' HD13 ' A' ' 309' ' ' LEU . 34.1 mmm -62.74 -45.57 92.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 343' ' ' ILE . . . . . 0.535 HG13 ' HE2' ' A' ' 348' ' ' MET . 42.9 mt -68.13 -39.13 80.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 3.8 m -68.03 -26.99 66.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 110.419 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -87.5 -9.22 55.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 110.351 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 89.81 -29.29 6.44 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.451 1.094 . . . . 0.0 110.993 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 347' ' ' ARG . . . . . 0.507 ' O ' HD21 ' A' ' 310' ' ' LEU . 69.6 mtt-85 -39.26 -36.08 0.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 0.754 . . . . 0.0 110.258 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 348' ' ' MET . . . . . 0.535 ' HE2' HG13 ' A' ' 343' ' ' ILE . 23.1 ttp -117.5 160.56 21.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -125.66 132.12 52.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 134.08 -164.15 24.5 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.493 1.12 . . . . 0.0 110.993 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 351' ' ' PHE . . . . . . . . . . . . . 19.7 p90 -144.35 160.29 41.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 0.755 . . . . 0.0 110.981 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 352' ' ' ILE . . . . . 0.44 HD11 ' CB ' ' A' ' 339' ' ' ALA . 11.5 mt -104.08 125.56 58.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.11 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 353' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -86.25 109.88 19.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -88.82 -15.14 35.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 10.5 mt -68.92 -40.31 80.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.421 1.075 . . . . 0.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -107.85 -14.5 14.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . 74.03 30.88 60.51 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 358' ' ' ILE . . . . . . . . . . . . . 80.1 mt -113.15 149.1 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 0.751 . . . . 0.0 109.281 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 359' ' ' VAL . . . . . . . . . . . . . 44.3 t -92.6 116.11 33.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 360' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -83.86 111.38 19.16 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.487 1.117 . . . . 0.0 109.595 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 361' ' ' PHE . . . . . 0.568 ' CD1' ' HA ' ' A' ' 313' ' ' SER . 4.4 m-85 -99.81 152.32 20.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -82.54 137.94 34.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 110.298 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 363' ' ' THR . . . . . . . . . . . . . 1.8 t -111.79 147.09 36.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.413 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 364' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.78 136.78 1.88 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.275 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 365' ' ' GLU . . . . . 0.419 ' O ' ' HB3' ' A' ' 366' ' ' ALA . 13.0 mt-10 -45.86 129.01 9.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 110.249 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 366' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 365' ' ' GLU . . . 67.78 120.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 6.8 p -96.54 150.09 21.03 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.515 1.134 . . . . 0.0 109.992 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 368' ' ' GLY . . . . . . . . . . . . . . . 106.97 -146.83 16.11 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 369' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 88.35 1.24 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.513 1.796 . . . . 0.0 111.019 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 28.9 p -87.35 132.45 33.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.022 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 371' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -156.88 155.35 31.29 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.105 . . . . 0.0 109.974 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 372' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.483 1.114 . . . . 0.0 110.991 179.984 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 290' ' ' SER . . . . . . . . . . . . . 1.9 m 39.61 82.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 0.802 . . . . 0.0 110.031 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 291' ' ' SER . . . . . . . . . . . . . 5.0 t -149.19 124.73 10.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.98 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 292' ' ' GLY . . . . . . . . . . . . . . . 163.9 -100.05 0.17 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.541 1.151 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 293' ' ' SER . . . . . . . . . . . . . 2.0 t -107.66 170.84 7.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 0.76 . . . . 0.0 109.977 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 294' ' ' SER . . . . . . . . . . . . . 11.1 t -122.37 135.95 54.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 110.0 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 295' ' ' GLY . . . . . . . . . . . . . . . -48.16 -94.16 0.01 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.475 1.109 . . . . 0.0 111.006 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 296' ' ' GLY . . . . . . . . . . . . . . . 165.96 67.87 0.03 OUTLIER Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 297' ' ' SER . . . . . 0.513 ' HB2' HD11 ' A' ' 299' ' ' ILE . 71.5 m -84.45 152.7 23.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 0.767 . . . . 0.0 110.003 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 298' ' ' SER . . . . . . . . . . . . . 3.4 m -116.18 80.56 1.47 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 109.97 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 299' ' ' ILE . . . . . 0.513 HD11 ' HB2' ' A' ' 297' ' ' SER . 0.2 OUTLIER -108.84 108.14 24.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 300' ' ' LEU . . . . . 0.65 HD12 ' H ' ' A' ' 301' ' ' ASP . 0.4 OUTLIER 42.27 -164.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 301' ' ' ASP . . . . . 0.65 ' H ' HD12 ' A' ' 300' ' ' LEU . 65.9 t0 -58.6 109.9 0.89 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 302' ' ' ARG . . . . . 0.607 ' HA ' HD12 ' A' ' 305' ' ' ILE . 2.4 tpt180 -74.37 -26.42 60.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.341 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -69.83 -37.49 76.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 304' ' ' VAL . . . . . 0.545 HG12 ' O ' ' A' ' 301' ' ' ASP . 0.3 OUTLIER -59.37 -42.48 87.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 305' ' ' ILE . . . . . 0.607 HD12 ' HA ' ' A' ' 302' ' ' ARG . 5.4 mt -64.81 -41.47 92.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.367 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -66.31 -42.26 88.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 110.316 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 307' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -71.13 -46.23 62.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.642 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 308' ' ' ASN . . . . . 0.473 ' HB3' ' CD2' ' A' ' 328' ' ' LEU . 7.1 m-80 -56.37 -32.92 65.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 309' ' ' LEU . . . . . 0.716 HD13 HG22 ' A' ' 338' ' ' ILE . 1.9 mt -69.09 -34.24 74.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 310' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 310' ' ' LEU . 14.1 mt -74.26 -42.1 60.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 311' ' ' SER . . . . . 0.51 ' C ' HD12 ' A' ' 315' ' ' LEU . 0.6 OUTLIER -73.83 -44.42 55.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.044 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 312' ' ' ALA . . . . . 0.424 ' CB ' ' O ' ' A' ' 308' ' ' ASN . . . -59.99 -22.84 63.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 313' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 362' ' ' GLU . 0.9 OUTLIER -69.66 -45.08 69.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 110.034 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 314' ' ' LYS . . . . . . . . . . . . . 7.4 mtmp? -101.13 35.56 2.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 315' ' ' LEU . . . . . 0.51 HD12 ' C ' ' A' ' 311' ' ' SER . 7.4 mt -133.5 -70.23 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 316' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -84.13 135.22 34.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 111.006 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 317' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -61.24 -45.02 96.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -163.3 135.99 5.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 319' ' ' ILE . . . . . . . . . . . . . 16.6 tt -146.17 143.98 20.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 320' ' ' THR . . . . . 0.521 HG23 ' H ' ' A' ' 323' ' ' GLU . 10.9 t -83.62 166.98 17.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.433 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 321' ' ' PHE . . . . . 0.776 ' CB ' ' HB1' ' A' ' 332' ' ' ALA . 39.3 m-85 -60.05 -39.13 84.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.992 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -59.67 -50.08 75.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 110.296 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 323' ' ' GLU . . . . . 0.521 ' H ' HG23 ' A' ' 320' ' ' THR . 27.5 mm-40 -72.99 -47.56 44.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 110.289 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 324' ' ' LEU . . . . . 0.708 HD13 HD11 ' A' ' 328' ' ' LEU . 1.1 tm? -56.94 -44.41 82.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.332 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 330' ' ' ILE . . . -69.84 -32.92 70.3 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -66.95 -29.29 69.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 0.77 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.27 -39.36 59.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 328' ' ' LEU . . . . . 0.708 HD11 HD13 ' A' ' 324' ' ' LEU . 0.2 OUTLIER -87.81 3.16 49.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 65.48 12.13 7.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 330' ' ' ILE . . . . . 0.624 HG23 ' O ' ' A' ' 328' ' ' LEU . 2.9 pt -109.75 162.27 20.95 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 331' ' ' PRO . . . . . 0.455 ' HD2' ' CB ' ' A' ' 334' ' ' LYS . 18.5 Cg_endo -74.95 160.74 39.92 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.487 1.783 . . . . 0.0 111.021 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 332' ' ' ALA . . . . . 0.776 ' HB1' ' CB ' ' A' ' 321' ' ' PHE . . . -59.27 -35.86 74.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -62.73 -37.84 88.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 334' ' ' LYS . . . . . 0.455 ' CB ' ' HD2' ' A' ' 331' ' ' PRO . 0.1 OUTLIER -74.18 -47.78 33.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 335' ' ' ALA . . . . . 0.504 ' O ' ' CB ' ' A' ' 339' ' ' ALA . . . -64.36 -31.12 72.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 332' ' ' ALA . 11.0 tt0 -69.68 -47.27 63.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.309 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 337' ' ' LYS . . . . . . . . . . . . . 29.4 mmtt -66.56 -45.68 78.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 109.351 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 338' ' ' ILE . . . . . 0.716 HG22 HD13 ' A' ' 309' ' ' LEU . 67.8 mt -65.16 -46.38 91.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 339' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 335' ' ' ALA . . . -56.82 -44.78 82.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.18 -43.26 67.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.009 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 341' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.99 -40.82 90.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 110.307 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 342' ' ' MET . . . . . . . . . . . . . 1.9 mmm -62.9 -48.24 79.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.973 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 343' ' ' ILE . . . . . 0.426 HG13 ' CE ' ' A' ' 348' ' ' MET . 34.7 mt -64.56 -39.71 86.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 2.9 m -70.24 -27.42 64.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.391 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -83.79 -8.94 59.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.264 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 346' ' ' GLY . . . . . . . . . . . . . . . 89.8 -29.53 6.3 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.532 1.145 . . . . 0.0 110.999 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 347' ' ' ARG . . . . . . . . . . . . . 72.1 mtt-85 -39.08 -50.95 1.87 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 0.751 . . . . 0.0 110.343 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 348' ' ' MET . . . . . 0.426 ' CE ' HG13 ' A' ' 343' ' ' ILE . 9.6 ttp -98.61 172.51 7.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.537 1.148 . . . . 0.0 110.964 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -137.91 131.87 31.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 133.87 -162.84 24.51 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.511 1.132 . . . . 0.0 110.996 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 351' ' ' PHE . . . . . . . . . . . . . 12.0 p90 -145.28 159.46 42.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 0.771 . . . . 0.0 111.029 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 12.5 mt -102.86 133.47 46.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 353' ' ' ASP . . . . . 0.427 ' HB2' ' CD2' ' A' ' 360' ' ' HIS . 66.1 t0 -95.91 109.76 22.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -85.62 -17.65 35.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.314 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 25.8 mt -66.58 -42.96 90.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 356' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -106.03 -11.76 16.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 109.354 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 357' ' ' GLY . . . . . 0.428 ' O ' ' CE2' ' A' ' 321' ' ' PHE . . . 69.09 34.0 75.26 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.513 1.133 . . . . 0.0 110.973 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 358' ' ' ILE . . . . . . . . . . . . . 61.1 mt -116.24 146.05 21.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.484 0.755 . . . . 0.0 109.318 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 359' ' ' VAL . . . . . 0.638 ' CG2' ' CE1' ' A' ' 321' ' ' PHE . 48.7 t -94.15 114.22 30.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 360' ' ' HIS . . . . . 0.427 ' CD2' ' HB2' ' A' ' 353' ' ' ASP . 25.6 m-70 -84.41 110.83 18.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.622 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 361' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -100.51 146.93 26.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 110.987 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 362' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 313' ' ' SER . 4.3 pt-20 -80.21 147.82 31.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.326 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 363' ' ' THR . . . . . . . . . . . . . 4.0 t -100.81 147.57 25.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.433 1.083 . . . . 0.0 110.416 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 364' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.05 158.4 11.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 110.247 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 365' ' ' GLU . . . . . 0.5 ' O ' ' HB3' ' A' ' 366' ' ' ALA . 15.3 mt-10 -119.15 88.67 2.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.347 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 366' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 365' ' ' GLU . . . 71.87 75.77 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 367' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -144.57 165.09 28.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 110.002 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 368' ' ' GLY . . . . . . . . . . . . . . . -101.33 155.97 19.03 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.505 1.128 . . . . 0.0 110.975 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 369' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 161.97 37.62 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.458 1.768 . . . . 0.0 110.982 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 370' ' ' SER . . . . . . . . . . . . . 74.2 m -168.93 95.78 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.988 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 371' ' ' SER . . . . . . . . . . . . . 2.4 t 53.88 98.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.951 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 372' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.481 1.113 . . . . 0.0 111.018 179.968 . . . . . . . . 0 0 . 1 stop_ save_