data_2rqa_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 2rqa _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 546' ' ' GLN . . . . . 0.604 ' C ' ' CD1' ' A' ' 547' ' ' PHE . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.285 -0.265 . . . . 62.12 110.285 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 547' ' ' PHE . . . . . 0.604 ' CD1' ' C ' ' A' ' 546' ' ' GLN . 22.1 m-85 -152.77 104.8 2.68 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.15 . . . . 74.04 110.966 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 548' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 145.27 31.22 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.455 1.766 . . . . 75.32 110.955 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 35.1 m -54.18 -44.02 62.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 72.52 109.316 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -56.36 -21.89 27.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 74.35 110.314 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 8.6 m170 -97.38 -23.43 16.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 75.11 109.603 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 552' ' ' VAL . . . . . 0.549 HG11 ' CD1' ' A' ' 657' ' ' PHE . 38.3 t -92.68 121.71 43.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 70.14 109.269 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -109.52 144.83 37.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 75.43 110.263 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -84.66 113.17 21.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 72.22 109.332 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 555' ' ' LEU . . . . . 0.481 HD22 ' CB ' ' A' ' 562' ' ' ALA . 0.2 OUTLIER -133.41 -179.98 5.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 75.13 109.324 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 556' ' ' CYS . . . . . 0.542 ' O ' ' N ' ' A' ' 560' ' ' MET . 5.6 t -107.59 103.27 12.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 114.996 -1.002 . . . . 75.45 110.875 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 557' ' ' ILE . . . . . 0.494 ' CD1' ' O ' ' A' ' 636' ' ' ARG . 1.6 pt -35.58 -33.86 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 74.35 109.333 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 558' ' ' ASN . . . . . 0.489 ' N ' ' O ' ' A' ' 556' ' ' CYS . 7.5 m-20 -77.75 -61.47 1.98 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 75.43 109.328 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 559' ' ' CYS . . . . . 1.146 ' CB ' ' SG ' ' A' ' 615' ' ' CYS . 3.8 m -74.85 -69.36 0.47 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 72.2 108.29 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 560' ' ' MET . . . . . 0.542 ' N ' ' O ' ' A' ' 556' ' ' CYS . 26.9 mtm 76.92 49.26 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 72.33 111.004 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 561' ' ' VAL . . . . . 0.493 ' O ' ' CB ' ' A' ' 562' ' ' ALA . 1.0 OUTLIER -116.22 -1.97 9.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 72.21 109.257 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 562' ' ' ALA . . . . . 0.493 ' CB ' ' O ' ' A' ' 561' ' ' VAL . . . 83.26 104.32 0.06 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.538 1.149 . . . . 60.34 109.297 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 563' ' ' VAL . . . . . 0.538 HG12 ' CD1' ' A' ' 587' ' ' TYR . 2.2 m -101.34 -6.66 9.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 74.24 109.332 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -179.08 -156.28 16.93 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.547 1.155 . . . . 71.1 110.997 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 565' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 -129.09 143.58 50.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 73.42 109.607 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . -72.62 -2.77 56.88 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.478 1.111 . . . . 72.14 111.017 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 20.7 p -114.32 9.5 16.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 0.797 . . . . 70.51 110.044 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 568' ' ' ASP . . . . . 0.451 ' O ' ' NH1' ' A' ' 570' ' ' ARG . 3.1 m-20 -114.08 -10.79 12.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 75.24 109.298 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 569' ' ' LEU . . . . . 0.475 ' C ' ' CD1' ' A' ' 569' ' ' LEU . 0.2 OUTLIER -91.75 163.42 14.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 74.44 109.315 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 570' ' ' ARG . . . . . 0.451 ' NH1' ' O ' ' A' ' 568' ' ' ASP . 0.6 OUTLIER -147.28 179.17 7.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 74.44 110.263 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 571' ' ' LYS . . . . . 0.449 ' CG ' ' HA ' ' A' ' 661' ' ' ASP . 7.9 ptpt -115.91 158.58 22.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 64.14 109.285 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 2.8 t -123.14 112.37 33.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 73.4 109.311 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 573' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 41.43 35.81 0.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 74.12 110.33 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 41.86 49.42 5.15 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.534 1.146 . . . . 73.5 110.97 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 3.2 m -119.9 -40.88 2.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 0.734 . . . . 75.54 110.375 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 9.2 m80 -158.56 128.25 5.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 74.33 109.599 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 577' ' ' HIS . . . . . 0.774 ' CD2' ' CE3' ' A' ' 652' ' ' TRP . 2.5 m80 -72.25 140.36 48.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 74.21 109.593 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 578' ' ' VAL . . . . . . . . . . . . . 5.1 m -142.26 123.05 11.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 75.3 109.266 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 579' ' ' ASN . . . . . 0.469 ' OD1' ' CE1' ' A' ' 584' ' ' PHE . 1.9 t-20 -89.34 108.45 19.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 72.35 109.287 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 580' ' ' VAL . . . . . 0.454 HG11 ' CD2' ' A' ' 630' ' ' LEU . 3.6 t -77.77 135.72 25.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 72.33 109.279 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 581' ' ' ASN . . . . . 0.472 ' CB ' ' HB2' ' A' ' 584' ' ' PHE . 3.2 m120 179.51 129.84 0.23 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 74.2 109.304 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 582' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -35.25 3.25 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.494 1.786 . . . . 71.4 111.028 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 583' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -78.68 -1.01 32.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 62.43 109.311 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 584' ' ' PHE . . . . . 0.506 ' O ' ' CD2' ' A' ' 588' ' ' TYR . 3.6 t80 -70.97 -31.76 68.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 75.12 111.013 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 585' ' ' SER . . . . . 0.544 ' HA ' ' CE2' ' A' ' 588' ' ' TYR . 1.5 t -57.93 -23.87 55.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 54.44 110.034 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -87.53 -17.86 31.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.153 . . . . 75.01 109.341 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 587' ' ' TYR . . . . . 0.538 ' CD1' HG12 ' A' ' 563' ' ' VAL . 5.8 m-85 -93.05 3.79 55.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 74.43 111.059 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 588' ' ' TYR . . . . . 0.574 ' CD1' ' C ' ' A' ' 588' ' ' TYR . 1.3 p90 -162.87 159.3 23.63 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 74.32 110.973 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 589' ' ' ASN . . . . . 0.417 ' ND2' ' HB2' ' A' ' 613' ' ' ARG . 33.1 m-80 -129.67 127.69 41.05 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.538 1.149 . . . . 74.42 109.301 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 590' ' ' VAL . . . . . 0.45 ' CG1' ' HA3' ' A' ' 608' ' ' GLY . 14.5 t -74.44 133.85 30.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 65.24 109.288 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 30.9 t . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 73.22 110.017 -179.976 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 604' ' ' TRP . . . . . 0.407 ' CE3' ' HB3' ' A' ' 623' ' ' MET . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 108.04 -1.096 . . . . 71.23 108.04 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 605' ' ' LYS . . . . . . . . . . . . . 11.2 pttt -114.23 156.15 44.67 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.125 . . . . 74.31 109.342 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 606' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 173.11 15.08 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.524 1.802 . . . . 62.21 111.003 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 607' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 622' ' ' GLN . . . -132.37 -108.41 1.13 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.499 1.124 . . . . 70.05 110.975 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 608' ' ' GLY . . . . . 0.45 ' HA3' ' CG1' ' A' ' 590' ' ' VAL . . . -140.61 147.58 19.24 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.034 -0.827 . . . . 74.12 111.034 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 57.9 t -53.8 125.92 9.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.515 0.774 . . . . 72.4 109.336 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 610' ' ' ILE . . . . . 0.472 HG13 ' CA ' ' A' ' 621' ' ' LEU . 0.7 OUTLIER -95.27 146.49 6.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 75.13 109.268 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -148.77 121.38 8.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 74.2 110.012 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 612' ' ' CYS . . . . . 0.455 ' O ' ' N ' ' A' ' 616' ' ' GLY . 32.4 t -48.35 118.58 2.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.117 . . . . 60.11 108.289 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 613' ' ' ARG . . . . . 0.417 ' HB2' ' ND2' ' A' ' 589' ' ' ASN . 9.0 ttt180 -70.18 -26.25 63.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 74.45 110.288 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 614' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -66.01 -38.09 87.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 74.2 109.302 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 615' ' ' CYS . . . . . 1.146 ' SG ' ' CB ' ' A' ' 559' ' ' CYS . 1.1 m -124.29 -74.03 0.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 72.31 108.324 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 616' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 148.79 -18.02 1.25 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.523 1.139 . . . . 74.12 110.994 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -42.73 102.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 0.763 . . . . 64.5 110.313 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 618' ' ' VAL . . . . . 0.444 ' O ' ' NZ ' ' A' ' 634' ' ' LYS . 24.0 t -50.46 124.8 3.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.13 . . . . 75.33 109.322 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 619' ' ' TRP . . . . . 0.566 ' CZ2' ' HE2' ' A' ' 638' ' ' MET . 42.8 m0 -85.19 -39.29 18.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 75.41 108.006 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 620' ' ' GLY . . . . . . . . . . . . . . . 159.23 -102.95 0.22 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.436 1.085 . . . . 73.01 110.978 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 621' ' ' LEU . . . . . 0.496 ' CD2' ' O ' ' A' ' 622' ' ' GLN . 0.0 OUTLIER -157.54 154.92 29.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 0.74 . . . . 74.22 109.303 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 622' ' ' GLN . . . . . 0.496 ' O ' ' CD2' ' A' ' 621' ' ' LEU . 1.4 tt0 -85.37 135.1 34.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 75.33 110.266 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 623' ' ' MET . . . . . 0.44 ' CG ' HG23 ' A' ' 632' ' ' VAL . 9.6 mmt -116.31 142.04 47.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 72.32 111.036 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 624' ' ' ILE . . . . . . . . . . . . . 4.8 mp -114.39 143.67 23.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 74.14 109.33 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 625' ' ' TYR . . . . . 0.448 ' CD1' ' NZ ' ' A' ' 626' ' ' LYS . 14.6 t80 -151.51 107.67 3.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 74.04 110.991 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 626' ' ' LYS . . . . . 0.486 ' O ' ' CB ' ' A' ' 627' ' ' SER . 0.0 OUTLIER 70.19 18.92 6.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 74.52 109.296 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 627' ' ' SER . . . . . 0.486 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.2 p 85.11 40.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 75.25 110.023 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 628' ' ' VAL . . . . . 0.439 HG11 ' CG ' ' A' ' 630' ' ' LEU . 52.9 t -126.46 114.6 38.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 75.44 109.321 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 629' ' ' LYS . . . . . 0.47 ' CE ' ' OE1' ' A' ' 622' ' ' GLN . 6.1 mmmm -72.72 100.06 2.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 72.43 109.308 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 630' ' ' LEU . . . . . 0.545 HD12 ' CD1' ' A' ' 662' ' ' PHE . 54.8 mt -117.6 111.72 39.47 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 73.21 109.305 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 631' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 133.64 16.84 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.499 1.789 . . . . 72.3 110.98 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 632' ' ' VAL . . . . . 0.44 HG23 ' CG ' ' A' ' 623' ' ' MET . 38.2 t -102.22 103.72 15.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 72.21 109.303 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 633' ' ' LEU . . . . . 0.553 ' CD1' ' N ' ' A' ' 633' ' ' LEU . 0.0 OUTLIER -106.93 171.52 7.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 75.03 109.313 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 634' ' ' LYS . . . . . 0.444 ' NZ ' ' O ' ' A' ' 618' ' ' VAL . 11.4 mtmm -97.78 -173.75 2.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 72.41 109.302 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 635' ' ' VAL . . . . . 0.539 ' CG1' ' N ' ' A' ' 651' ' ' LYS . 5.6 p -106.43 -15.12 8.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 72.14 109.335 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 636' ' ' ARG . . . . . 0.494 ' O ' ' CD1' ' A' ' 557' ' ' ILE . 0.0 OUTLIER -91.4 -22.14 20.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 72.33 110.329 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.57 -13.68 36.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 65.42 109.995 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 638' ' ' MET . . . . . 0.566 ' HE2' ' CZ2' ' A' ' 619' ' ' TRP . 33.6 mmt -108.16 147.17 31.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 73.43 110.994 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 639' ' ' LEU . . . . . 0.463 ' CD2' ' HD2' ' A' ' 646' ' ' ARG . 10.5 tp -112.75 140.47 47.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 74.35 109.28 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 640' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -108.5 92.5 4.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 71.41 109.301 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . 0.45 ' HB2' ' CD1' ' A' ' 555' ' ' LEU . 4.3 mt-10 -73.57 117.15 14.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 74.2 110.281 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 642' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -128.41 159.84 65.48 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 64.5 110.403 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 2.48 6.57 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.512 1.796 . . . . 74.13 111.06 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 644' ' ' GLN . . . . . 0.444 ' NE2' ' O ' ' A' ' 546' ' ' GLN . 3.2 mt-30 -113.45 -6.26 13.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 74.32 110.332 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 127.4 145.57 6.21 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.523 1.139 . . . . 72.12 111.009 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 646' ' ' ARG . . . . . 0.463 ' HD2' ' CD2' ' A' ' 639' ' ' LEU . 57.2 mtm180 -63.41 153.3 35.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 0.777 . . . . 71.24 110.3 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 647' ' ' ILE . . . . . . . . . . . . . 15.8 mt -138.43 136.12 44.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 75.42 109.313 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 648' ' ' GLN . . . . . 0.443 ' CG ' HG23 ' A' ' 557' ' ' ILE . 1.0 OUTLIER -133.13 109.13 9.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 75.23 110.284 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 649' ' ' ALA . . . . . . . . . . . . . . . -107.93 164.82 11.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 44.14 109.272 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 650' ' ' LYS . . . . . 0.49 ' C ' ' CG1' ' A' ' 635' ' ' VAL . 56.4 mttt -109.39 -3.14 17.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 72.31 109.289 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 651' ' ' LYS . . . . . 0.539 ' N ' ' CG1' ' A' ' 635' ' ' VAL . 7.2 mmmt -142.75 131.94 23.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 64.44 109.276 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 652' ' ' TRP . . . . . 0.774 ' CE3' ' CD2' ' A' ' 577' ' ' HIS . 67.7 m95 -62.66 -15.55 52.68 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.995 -1.113 . . . . 72.52 107.995 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 36.7 t -67.17 -9.38 39.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 73.31 109.957 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 654' ' ' ARG . . . . . 0.408 ' O ' ' C ' ' A' ' 655' ' ' VAL . 7.0 mmt180 -114.2 -14.14 12.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.547 1.154 . . . . 74.53 110.357 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 655' ' ' VAL . . . . . 0.568 HG13 ' CZ ' ' A' ' 657' ' ' PHE . 2.3 t -39.94 128.83 1.58 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 75.13 109.296 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 656' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -51.85 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.482 1.78 . . . . 71.52 110.992 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 657' ' ' PHE . . . . . 0.568 ' CZ ' HG13 ' A' ' 655' ' ' VAL . 54.9 p90 -67.26 164.61 17.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 75.01 110.967 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 1.1 m -88.55 147.36 24.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 75.35 110.038 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 659' ' ' VAL . . . . . 0.563 HG13 ' CD2' ' A' ' 577' ' ' HIS . 2.8 t -132.87 96.87 17.55 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 74.3 109.288 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 660' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 151.01 39.14 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.454 1.765 . . . . 74.42 111.003 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 661' ' ' ASP . . . . . 0.449 ' HA ' ' CG ' ' A' ' 571' ' ' LYS . 1.1 p30 -68.27 155.45 39.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 74.15 109.274 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 662' ' ' PHE . . . . . 0.545 ' CD1' HD12 ' A' ' 630' ' ' LEU . 76.9 t80 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 75.44 110.982 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 546' ' ' GLN . . . . . 0.599 ' C ' ' CD1' ' A' ' 547' ' ' PHE . 24.1 mt-30 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.315 -0.254 . . . . 74.33 110.315 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 547' ' ' PHE . . . . . 0.599 ' CD1' ' C ' ' A' ' 546' ' ' GLN . 0.1 OUTLIER -155.58 102.9 2.17 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 73.32 110.972 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 548' ' ' PRO . . . . . 0.448 ' HB2' ' CG ' ' A' ' 550' ' ' GLU . 18.3 Cg_endo -74.97 137.27 21.57 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.498 1.788 . . . . 74.51 110.969 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 21.3 m -48.86 -40.49 12.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 73.32 109.303 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 550' ' ' GLU . . . . . 0.448 ' CG ' ' HB2' ' A' ' 548' ' ' PRO . 3.0 pt-20 -57.02 -34.82 68.56 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.481 1.113 . . . . 74.21 110.306 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 11.2 m170 -84.26 -14.8 48.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 73.33 109.584 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 552' ' ' VAL . . . . . 0.414 ' CG2' ' HB3' ' A' ' 657' ' ' PHE . 58.4 t -95.43 126.24 47.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 63.53 109.284 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -114.98 143.95 44.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.085 . . . . 75.44 110.277 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -85.17 115.77 23.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 65.53 109.318 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 555' ' ' LEU . . . . . 0.527 HD22 ' CA ' ' A' ' 562' ' ' ALA . 0.2 OUTLIER -134.65 -179.54 5.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.135 . . . . 71.55 109.308 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 556' ' ' CYS . . . . . 0.523 ' O ' ' N ' ' A' ' 558' ' ' ASN . 3.8 t -110.18 100.78 9.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.01 -0.995 . . . . 73.52 110.886 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 557' ' ' ILE . . . . . 0.508 ' C ' ' O ' ' A' ' 556' ' ' CYS . 1.1 pt -32.21 -37.54 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 71.12 109.253 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 558' ' ' ASN . . . . . 0.523 ' N ' ' O ' ' A' ' 556' ' ' CYS . 3.3 m120 -73.74 -64.4 1.01 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 74.04 109.303 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 559' ' ' CYS . . . . . 1.116 ' CB ' ' SG ' ' A' ' 615' ' ' CYS . 9.9 m -73.8 -70.35 0.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 70.3 108.286 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 560' ' ' MET . . . . . 0.52 ' N ' ' O ' ' A' ' 556' ' ' CYS . 26.9 mtm 78.17 43.92 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 73.23 111.038 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 561' ' ' VAL . . . . . 0.501 ' CG2' ' ND2' ' A' ' 614' ' ' ASN . 0.9 OUTLIER -113.06 15.62 8.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.168 . . . . 74.15 109.3 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 562' ' ' ALA . . . . . 0.527 ' CA ' HD22 ' A' ' 555' ' ' LEU . . . 65.91 108.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 74.12 109.316 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 563' ' ' VAL . . . . . 0.467 HG12 ' CD1' ' A' ' 587' ' ' TYR . 1.4 m -107.83 -6.14 10.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.471 1.107 . . . . 73.5 109.315 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -178.4 -159.31 22.72 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.528 1.142 . . . . 72.32 111.017 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 565' ' ' HIS . . . . . . . . . . . . . 68.9 m80 -127.47 144.05 51.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 0.763 . . . . 75.44 109.604 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . -70.94 -20.26 77.61 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.504 1.128 . . . . 60.32 110.972 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 19.8 t -101.54 10.78 39.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 0.771 . . . . 72.12 109.962 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -108.6 -20.93 12.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 62.43 109.277 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 569' ' ' LEU . . . . . 0.499 ' C ' ' CD1' ' A' ' 569' ' ' LEU . 0.2 OUTLIER -83.4 166.23 18.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 75.12 109.335 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 570' ' ' ARG . . . . . 0.409 ' CG ' ' O ' ' A' ' 569' ' ' LEU . 49.9 mtt-85 -158.59 144.62 16.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 73.41 110.302 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 571' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 662' ' ' PHE . 5.0 ttpt -73.54 158.62 34.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 72.53 109.29 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 572' ' ' VAL . . . . . 0.455 ' O ' ' CG ' ' A' ' 573' ' ' GLU . 2.7 t -119.11 113.7 42.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 74.41 109.267 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 573' ' ' GLU . . . . . 0.455 ' CG ' ' O ' ' A' ' 572' ' ' VAL . 11.7 pt-20 46.2 30.87 1.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 74.41 110.312 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 51.78 59.4 8.67 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.528 1.142 . . . . 72.55 110.982 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 1.9 m -131.35 -71.59 0.56 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 0.798 . . . . 74.25 110.368 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -124.38 151.14 44.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 72.14 109.581 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 577' ' ' HIS . . . . . 0.663 ' CD2' ' CD2' ' A' ' 652' ' ' TRP . 48.6 m-70 -83.91 119.14 24.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.107 . . . . 75.12 109.614 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 578' ' ' VAL . . . . . 0.476 ' CB ' ' O ' ' A' ' 631' ' ' PRO . 15.9 m -122.69 124.17 69.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 74.53 109.305 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 579' ' ' ASN . . . . . 0.459 ' HA ' ' CB ' ' A' ' 569' ' ' LEU . 2.7 t-20 -95.6 109.04 21.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 61.42 109.312 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 580' ' ' VAL . . . . . 0.461 HG11 ' CD2' ' A' ' 630' ' ' LEU . 3.3 t -78.53 137.47 21.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 73.15 109.318 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 581' ' ' ASN . . . . . 0.426 ' CB ' ' HB2' ' A' ' 584' ' ' PHE . 3.2 m120 178.81 128.72 0.22 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 73.25 109.333 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 582' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -29.09 8.7 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.479 1.778 . . . . 71.25 111.008 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 583' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -83.06 -5.1 58.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 73.31 109.329 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 584' ' ' PHE . . . . . 0.52 ' O ' ' CD2' ' A' ' 588' ' ' TYR . 2.9 t80 -66.37 -34.06 77.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 75.34 110.983 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 585' ' ' SER . . . . . 0.553 ' HA ' ' CE2' ' A' ' 588' ' ' TYR . 43.4 m -58.26 -24.97 61.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 73.24 109.977 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 19.1 m-20 -87.35 -16.31 35.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 72.03 109.266 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 587' ' ' TYR . . . . . 0.467 ' CD1' HG12 ' A' ' 563' ' ' VAL . 4.8 m-85 -93.28 -1.9 55.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 74.3 111.01 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 588' ' ' TYR . . . . . 0.575 ' CD1' ' C ' ' A' ' 588' ' ' TYR . 1.7 p90 -156.33 157.21 35.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 74.31 111.01 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 589' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -126.89 121.94 33.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 65.24 109.292 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 7.2 t -72.58 134.79 29.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 74.42 109.287 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 10.7 t . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 73.24 110.001 -179.982 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 604' ' ' TRP . . . . . 0.528 ' CE3' ' HB3' ' A' ' 623' ' ' MET . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 107.99 -1.115 . . . . 72.11 107.99 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 605' ' ' LYS . . . . . . . . . . . . . 13.0 pttt -108.86 156.28 39.28 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.465 1.103 . . . . 73.41 109.29 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 606' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 176.98 9.18 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.458 1.767 . . . . 72.12 111.05 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 607' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 622' ' ' GLN . . . -137.34 -104.75 0.7 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.539 1.149 . . . . 51.34 111.035 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 608' ' ' GLY . . . . . . . . . . . . . . . -144.07 145.12 14.45 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.029 -0.828 . . . . 65.12 111.029 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 88.5 t -51.09 132.19 12.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 0.774 . . . . 74.33 109.265 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 610' ' ' ILE . . . . . 0.463 HG13 ' CA ' ' A' ' 621' ' ' LEU . 0.7 OUTLIER -103.04 154.9 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 75.3 109.302 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 5.8 p -157.23 143.83 18.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 74.45 110.051 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 612' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 616' ' ' GLY . 16.1 t -66.34 118.59 10.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 74.34 108.309 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -72.34 -24.07 61.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 72.44 110.317 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 614' ' ' ASN . . . . . 0.501 ' ND2' ' CG2' ' A' ' 561' ' ' VAL . 94.1 m-20 -70.19 -32.1 69.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 75.23 109.261 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 615' ' ' CYS . . . . . 1.116 ' SG ' ' CB ' ' A' ' 559' ' ' CYS . 0.7 OUTLIER -129.8 -74.33 0.55 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 65.52 108.277 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 616' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 150.99 -19.25 0.96 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.496 1.122 . . . . 71.32 111.017 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -42.5 103.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 0.766 . . . . 73.02 110.272 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 18.1 t -49.28 138.0 4.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.49 1.119 . . . . 74.51 109.314 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 619' ' ' TRP . . . . . 0.569 ' CZ2' ' HE1' ' A' ' 638' ' ' MET . 47.3 m0 -101.17 -36.77 8.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 73.35 108.028 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 620' ' ' GLY . . . . . . . . . . . . . . . 156.0 -116.12 0.7 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.532 1.145 . . . . 74.42 111.008 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 621' ' ' LEU . . . . . 0.498 ' CD2' ' O ' ' A' ' 622' ' ' GLN . 0.0 OUTLIER -147.33 154.67 41.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.471 0.747 . . . . 72.11 109.341 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 622' ' ' GLN . . . . . 0.498 ' O ' ' CD2' ' A' ' 621' ' ' LEU . 0.9 OUTLIER -84.63 134.6 34.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 72.03 110.335 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 623' ' ' MET . . . . . 0.528 ' HB3' ' CE3' ' A' ' 604' ' ' TRP . 6.3 mmt -116.84 141.69 47.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 73.13 110.978 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 624' ' ' ILE . . . . . . . . . . . . . 4.7 mp -111.54 143.62 21.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 71.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 625' ' ' TYR . . . . . 0.457 ' C ' ' CD1' ' A' ' 625' ' ' TYR . 0.4 OUTLIER -145.45 105.56 4.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 73.35 110.99 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 626' ' ' LYS . . . . . 0.493 ' HA ' ' CE ' ' A' ' 626' ' ' LYS . 0.1 OUTLIER 63.39 28.01 15.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 71.23 109.331 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 627' ' ' SER . . . . . 0.451 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.3 p 81.33 40.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 72.21 110.003 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 628' ' ' VAL . . . . . 0.474 HG12 ' CG ' ' A' ' 630' ' ' LEU . 55.3 t -125.36 115.66 44.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 75.02 109.305 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 11.3 mmmt -72.64 99.84 2.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 74.04 109.271 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 630' ' ' LEU . . . . . 0.533 HD11 ' CD2' ' A' ' 662' ' ' PHE . 53.1 mt -121.7 111.72 32.75 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 74.41 109.293 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 631' ' ' PRO . . . . . 0.476 ' O ' ' CB ' ' A' ' 578' ' ' VAL . 18.3 Cg_endo -74.99 157.05 43.02 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.5 1.789 . . . . 70.5 110.99 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 632' ' ' VAL . . . . . 0.449 HG21 ' CG1' ' A' ' 578' ' ' VAL . 43.0 t -123.18 98.7 5.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 71.45 109.281 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 633' ' ' LEU . . . . . 0.565 ' CD1' ' N ' ' A' ' 633' ' ' LEU . 0.0 OUTLIER -100.81 171.5 7.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 74.32 109.31 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 634' ' ' LYS . . . . . 0.426 ' HE3' ' CG ' ' A' ' 636' ' ' ARG . 0.9 OUTLIER -101.41 -174.83 2.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 74.35 109.291 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 635' ' ' VAL . . . . . 0.517 ' HB ' ' CD1' ' A' ' 652' ' ' TRP . 11.4 p -106.97 -24.12 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 73.05 109.312 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 636' ' ' ARG . . . . . 0.426 ' CG ' ' HE3' ' A' ' 634' ' ' LYS . 13.1 ptt180 -84.17 -5.56 59.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 71.51 110.348 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 30.9 t -112.47 -16.97 12.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 74.52 110.043 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 638' ' ' MET . . . . . 0.569 ' HE1' ' CZ2' ' A' ' 619' ' ' TRP . 34.0 mmt -104.92 125.41 50.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 73.34 111.017 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 639' ' ' LEU . . . . . . . . . . . . . 21.8 tp -88.63 149.73 23.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 75.33 109.345 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 640' ' ' LEU . . . . . 0.455 HD22 ' CE2' ' A' ' 657' ' ' PHE . 11.4 mt -120.51 103.26 9.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 74.41 109.292 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -74.19 134.48 42.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 74.42 110.26 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 642' ' ' THR . . . . . 0.466 HG23 ' CD1' ' A' ' 647' ' ' ILE . 7.4 p -142.07 158.87 60.8 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 64.3 110.411 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -18.01 19.01 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.488 1.783 . . . . 74.23 110.97 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -91.68 -6.16 52.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 65.1 110.307 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 123.87 131.86 3.82 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.495 1.122 . . . . 45.14 110.986 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 20.6 mtm-85 -39.55 155.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 0.758 . . . . 75.43 110.292 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 647' ' ' ILE . . . . . 0.466 ' CD1' HG23 ' A' ' 642' ' ' THR . 21.4 mt -139.08 131.06 36.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 73.13 109.337 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 648' ' ' GLN . . . . . 0.477 ' CG ' HG21 ' A' ' 557' ' ' ILE . 0.1 OUTLIER -134.59 112.26 10.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 73.23 110.272 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 649' ' ' ALA . . . . . 0.465 ' CB ' ' HB2' ' A' ' 654' ' ' ARG . . . -107.65 -177.77 3.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 73.24 109.338 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 22.5 mttt -110.45 -21.09 12.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 75.51 109.259 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 651' ' ' LYS . . . . . 0.446 ' CA ' HG13 ' A' ' 635' ' ' VAL . 2.1 mmmm -134.12 150.04 51.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.122 . . . . 73.54 109.323 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 652' ' ' TRP . . . . . 0.663 ' CD2' ' CD2' ' A' ' 577' ' ' HIS . 47.2 m95 -66.13 -16.38 63.91 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.963 -1.125 . . . . 75.11 107.963 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 15.5 m -64.13 -11.88 34.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 63.23 109.989 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 654' ' ' ARG . . . . . 0.465 ' HB2' ' CB ' ' A' ' 649' ' ' ALA . 8.4 mmt180 -105.79 -26.55 11.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 63.34 110.273 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 655' ' ' VAL . . . . . 0.576 HG12 ' CD2' ' A' ' 657' ' ' PHE . 2.3 t -40.25 126.4 1.72 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 72.01 109.342 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 656' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -50.87 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.494 1.787 . . . . 70.22 110.99 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 657' ' ' PHE . . . . . 0.576 ' CD2' HG12 ' A' ' 655' ' ' VAL . 17.4 p90 -62.61 149.92 42.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 74.24 110.984 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -85.27 145.25 27.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 55.25 110.005 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 659' ' ' VAL . . . . . 0.522 HG21 ' CE1' ' A' ' 657' ' ' PHE . 2.0 t -119.68 98.63 49.79 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 73.42 109.279 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 660' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 147.44 33.88 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.54 1.811 . . . . 75.03 111.012 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -63.05 162.73 11.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 75.33 109.323 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 662' ' ' PHE . . . . . 0.533 ' CD2' HD11 ' A' ' 630' ' ' LEU . 5.0 t80 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 74.42 111.034 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 546' ' ' GLN . . . . . 0.538 ' C ' ' CD1' ' A' ' 547' ' ' PHE . 15.9 mt-30 . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.342 -0.244 . . . . 73.34 110.342 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 547' ' ' PHE . . . . . 0.637 ' CD1' ' N ' ' A' ' 547' ' ' PHE . 0.1 OUTLIER -149.33 103.33 3.31 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 62.44 111.027 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 548' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 145.64 31.73 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.442 1.759 . . . . 71.03 110.984 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 549' ' ' VAL . . . . . 0.469 ' CG2' ' HB2' ' A' ' 567' ' ' SER . 30.2 m -52.34 -44.05 41.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 72.52 109.281 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 550' ' ' GLU . . . . . 0.423 ' N ' HG23 ' A' ' 549' ' ' VAL . 2.6 pt-20 -53.95 -27.2 29.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 64.21 110.34 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 9.8 m170 -92.0 -22.56 19.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 73.14 109.574 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 552' ' ' VAL . . . . . 0.549 HG11 ' CD1' ' A' ' 657' ' ' PHE . 33.4 t -93.83 124.27 46.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 65.4 109.333 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -111.08 145.67 38.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 75.41 110.322 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 1.3 mt -86.2 112.57 21.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 71.14 109.298 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 555' ' ' LEU . . . . . 0.473 HD22 ' CB ' ' A' ' 562' ' ' ALA . 0.2 OUTLIER -133.36 -179.85 5.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 72.41 109.295 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 556' ' ' CYS . . . . . 0.529 ' O ' ' N ' ' A' ' 560' ' ' MET . 5.9 t -107.8 104.11 13.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 114.989 -1.005 . . . . 72.24 110.9 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 557' ' ' ILE . . . . . 0.469 HG23 ' CG ' ' A' ' 648' ' ' GLN . 1.4 pt -35.67 -33.92 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.132 . . . . 72.44 109.31 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 558' ' ' ASN . . . . . 0.488 ' N ' ' O ' ' A' ' 556' ' ' CYS . 7.9 m-20 -78.73 -61.05 2.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 71.32 109.298 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 559' ' ' CYS . . . . . 1.17 ' CB ' ' SG ' ' A' ' 615' ' ' CYS . 1.8 m -74.03 -70.31 0.39 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 74.4 108.324 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 560' ' ' MET . . . . . 0.529 ' N ' ' O ' ' A' ' 556' ' ' CYS . 28.4 mtm 77.31 48.35 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 73.12 111.041 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 561' ' ' VAL . . . . . 0.473 ' O ' ' CB ' ' A' ' 562' ' ' ALA . 1.0 OUTLIER -115.01 -2.71 10.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 74.32 109.279 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 562' ' ' ALA . . . . . 0.473 ' CB ' HD22 ' A' ' 555' ' ' LEU . . . 82.46 102.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 72.11 109.245 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 563' ' ' VAL . . . . . 0.558 HG11 ' CD1' ' A' ' 587' ' ' TYR . 2.3 m -99.27 -4.15 9.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 74.22 109.327 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . 177.14 -160.12 26.9 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.445 1.091 . . . . 72.11 110.991 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 565' ' ' HIS . . . . . . . . . . . . . 51.4 m-70 -124.55 144.4 50.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 0.782 . . . . 75.11 109.581 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . -73.24 -2.25 58.62 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.549 1.156 . . . . 75.32 111.026 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 567' ' ' SER . . . . . 0.469 ' HB2' ' CG2' ' A' ' 549' ' ' VAL . 15.2 p -115.43 10.87 15.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 0.759 . . . . 65.12 110.033 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -113.85 -12.62 12.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 63.43 109.31 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 569' ' ' LEU . . . . . 0.513 ' C ' ' CD1' ' A' ' 569' ' ' LEU . 0.1 OUTLIER -90.8 168.07 12.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 71.41 109.319 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 570' ' ' ARG . . . . . 0.418 ' CG ' ' O ' ' A' ' 569' ' ' LEU . 66.0 mtt-85 -158.82 136.81 10.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 75.25 110.28 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 10.8 ptpt -73.31 157.66 36.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 75.31 109.299 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 572' ' ' VAL . . . . . 0.473 ' O ' ' CG ' ' A' ' 573' ' ' GLU . 2.7 t -110.72 98.84 7.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 71.13 109.295 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 573' ' ' GLU . . . . . 0.473 ' CG ' ' O ' ' A' ' 572' ' ' VAL . 9.0 pt-20 46.86 24.11 0.32 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 74.41 110.277 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 574' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' A' ' 575' ' ' THR . . . 87.82 -23.36 13.84 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.485 1.116 . . . . 74.32 111.007 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 575' ' ' THR . . . . . 0.468 ' N ' ' O ' ' A' ' 572' ' ' VAL . 52.7 m -36.23 -76.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 0.741 . . . . 73.02 110.426 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 50.2 m80 -147.99 150.56 34.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 74.2 109.58 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 577' ' ' HIS . . . . . 0.773 ' CD2' ' CE3' ' A' ' 652' ' ' TRP . 6.4 m80 -71.79 116.38 12.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 74.53 109.611 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 578' ' ' VAL . . . . . 0.498 ' CG1' ' O ' ' A' ' 631' ' ' PRO . 26.9 m -115.92 118.49 58.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 75.44 109.331 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 579' ' ' ASN . . . . . 0.473 ' HA ' ' CB ' ' A' ' 569' ' ' LEU . 2.4 t-20 -90.52 119.9 31.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.581 1.176 . . . . 73.04 109.279 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 580' ' ' VAL . . . . . 0.477 HG11 ' CD2' ' A' ' 630' ' ' LEU . 2.7 t -95.9 130.79 44.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 60.35 109.292 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 581' ' ' ASN . . . . . . . . . . . . . 5.2 t30 176.49 141.28 0.23 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 75.54 109.312 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 582' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -46.19 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.545 1.813 . . . . 64.33 110.991 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 583' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -54.78 -19.62 6.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 71.41 109.292 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 584' ' ' PHE . . . . . 0.494 ' O ' ' CD2' ' A' ' 588' ' ' TYR . 1.8 t80 -58.99 -44.25 91.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 75.24 111.0 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 585' ' ' SER . . . . . 0.566 ' HA ' ' CE2' ' A' ' 588' ' ' TYR . 10.9 p -53.24 -25.32 13.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.454 1.097 . . . . 72.12 109.996 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -88.26 -23.32 23.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 71.41 109.307 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 587' ' ' TYR . . . . . 0.558 ' CD1' HG11 ' A' ' 563' ' ' VAL . 13.8 m-85 -88.55 6.8 36.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 75.24 110.979 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 588' ' ' TYR . . . . . 0.595 ' CD1' ' C ' ' A' ' 588' ' ' TYR . 0.9 OUTLIER -165.45 158.72 16.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 73.25 110.982 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 589' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -133.11 121.01 22.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 72.2 109.276 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 7.4 t -72.45 149.3 8.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 73.44 109.311 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 48.0 t . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 72.35 109.99 -179.992 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 604' ' ' TRP . . . . . 0.597 ' CZ3' ' SD ' ' A' ' 623' ' ' MET . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 108.021 -1.103 . . . . 75.22 108.021 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 605' ' ' LYS . . . . . 0.451 ' CG ' ' HB ' ' A' ' 624' ' ' ILE . 5.0 ptmt -121.08 151.91 55.99 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 74.4 109.299 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 606' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 142.5 27.92 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.468 1.773 . . . . 73.32 110.994 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 607' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 622' ' ' GLN . . . -105.74 -120.92 4.76 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.555 1.159 . . . . 70.23 111.026 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 608' ' ' GLY . . . . . . . . . . . . . . . -139.61 151.91 22.24 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 110.972 -0.851 . . . . 72.25 110.972 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 50.2 t -56.33 129.72 18.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.442 0.731 . . . . 75.12 109.264 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 610' ' ' ILE . . . . . 0.578 ' CG2' ' CD1' ' A' ' 588' ' ' TYR . 0.8 OUTLIER -102.19 143.37 14.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 71.53 109.31 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -136.84 117.88 14.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 75.3 109.993 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 612' ' ' CYS . . . . . 0.455 ' O ' ' N ' ' A' ' 616' ' ' GLY . 39.7 t -49.21 118.17 2.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 61.54 108.274 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 9.2 ttt180 -67.88 -28.02 67.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 74.24 110.328 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 614' ' ' ASN . . . . . 0.404 ' ND2' ' CG1' ' A' ' 563' ' ' VAL . 66.7 m-20 -65.13 -39.12 92.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 74.52 109.292 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 615' ' ' CYS . . . . . 1.17 ' SG ' ' CB ' ' A' ' 559' ' ' CYS . 0.2 OUTLIER -125.35 -75.02 0.59 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 73.2 108.234 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 616' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 148.53 -18.07 1.29 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.486 1.116 . . . . 63.42 111.01 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 617' ' ' GLU . . . . . 0.436 ' OE1' ' ND2' ' A' ' 558' ' ' ASN . 9.0 tp10 -42.78 102.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 0.74 . . . . 70.14 110.276 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 57.3 t -54.25 112.28 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.54 1.15 . . . . 73.24 109.316 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 619' ' ' TRP . . . . . 0.586 ' CE2' ' CE ' ' A' ' 638' ' ' MET . 42.2 m0 -71.0 -51.03 27.86 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.964 -1.124 . . . . 75.31 107.964 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 620' ' ' GLY . . . . . . . . . . . . . . . 176.8 -99.2 0.13 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 75.33 110.983 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 621' ' ' LEU . . . . . 0.495 ' C ' ' CD2' ' A' ' 621' ' ' LEU . 0.0 OUTLIER -162.07 170.33 19.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 0.775 . . . . 73.45 109.289 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 622' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 607' ' ' GLY . 0.2 OUTLIER -95.71 162.99 13.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 74.04 110.311 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 623' ' ' MET . . . . . 0.597 ' SD ' ' CZ3' ' A' ' 604' ' ' TRP . 6.9 mtp -146.95 151.49 37.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 75.51 111.007 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 624' ' ' ILE . . . . . 0.518 ' CD1' ' N ' ' A' ' 624' ' ' ILE . 2.7 mp -120.91 132.47 70.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 75.04 109.334 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 625' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -138.56 101.04 4.25 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.545 1.153 . . . . 75.41 111.003 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 626' ' ' LYS . . . . . 0.51 ' O ' ' CB ' ' A' ' 627' ' ' SER . 0.0 OUTLIER 68.32 22.17 8.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 74.23 109.284 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 627' ' ' SER . . . . . 0.51 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.1 p 86.02 39.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 72.54 109.998 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 628' ' ' VAL . . . . . 0.444 HG13 ' CG ' ' A' ' 630' ' ' LEU . 63.0 t -126.78 116.67 45.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 65.2 109.306 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 7.4 mmmm -71.72 99.68 2.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 64.41 109.329 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 630' ' ' LEU . . . . . 0.562 HD13 ' CD1' ' A' ' 662' ' ' PHE . 44.2 mt -120.93 111.24 34.3 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 74.24 109.308 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 631' ' ' PRO . . . . . 0.498 ' O ' ' CG1' ' A' ' 578' ' ' VAL . 18.2 Cg_endo -75.0 166.25 29.6 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.502 1.791 . . . . 75.44 111.008 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 632' ' ' VAL . . . . . 0.424 HG22 ' CG1' ' A' ' 578' ' ' VAL . 69.7 t -128.97 93.01 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 61.43 109.278 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 633' ' ' LEU . . . . . 0.56 ' CD1' ' N ' ' A' ' 633' ' ' LEU . 0.0 OUTLIER -99.75 171.64 7.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 74.12 109.331 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 634' ' ' LYS . . . . . 0.418 ' C ' ' CZ2' ' A' ' 652' ' ' TRP . 6.9 mtmm -105.82 -177.39 3.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 71.31 109.302 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 635' ' ' VAL . . . . . 0.494 ' CG1' ' C ' ' A' ' 650' ' ' LYS . 7.9 p -103.08 -14.83 8.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 65.55 109.294 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 636' ' ' ARG . . . . . . . . . . . . . 13.5 ptt180 -90.21 -5.57 56.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 75.13 110.291 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 1.4 t -112.49 -13.99 13.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 75.43 110.001 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 638' ' ' MET . . . . . 0.586 ' CE ' ' CE2' ' A' ' 619' ' ' TRP . 33.1 mmt -108.61 131.73 54.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 73.42 110.989 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 639' ' ' LEU . . . . . 0.456 ' CD2' ' HD2' ' A' ' 646' ' ' ARG . 13.3 tp -96.74 142.65 28.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 74.22 109.312 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 640' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -110.27 93.44 4.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 74.52 109.325 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . 0.444 ' HB2' ' CD1' ' A' ' 555' ' ' LEU . 5.6 mt-10 -74.58 119.16 18.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 74.41 110.313 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 642' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -129.36 159.66 68.08 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 71.25 110.416 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 2.35 6.74 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.479 1.778 . . . . 70.34 111.008 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -110.96 -6.77 14.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 74.4 110.311 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 126.26 139.38 5.06 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.523 1.139 . . . . 72.31 110.974 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 646' ' ' ARG . . . . . 0.456 ' HD2' ' CD2' ' A' ' 639' ' ' LEU . 15.4 mtm105 -56.3 151.65 12.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 0.739 . . . . 74.24 110.288 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 647' ' ' ILE . . . . . . . . . . . . . 18.7 mt -138.11 128.14 35.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 73.23 109.324 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 648' ' ' GLN . . . . . 0.469 ' CG ' HG23 ' A' ' 557' ' ' ILE . 0.1 OUTLIER -121.13 95.44 4.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 74.25 110.271 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 649' ' ' ALA . . . . . . . . . . . . . . . -92.95 160.73 14.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 74.13 109.321 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 650' ' ' LYS . . . . . 0.494 ' C ' ' CG1' ' A' ' 635' ' ' VAL . 10.1 mmtp -99.67 -28.55 13.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 74.05 109.264 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 651' ' ' LYS . . . . . 0.423 ' N ' HG12 ' A' ' 635' ' ' VAL . 19.5 mmmt -125.55 144.98 50.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 74.34 109.312 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 652' ' ' TRP . . . . . 0.773 ' CE3' ' CD2' ' A' ' 577' ' ' HIS . 35.7 m95 -67.32 -11.89 58.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 73.05 108.0 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 3.0 m -66.42 -10.07 40.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 75.14 110.014 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 654' ' ' ARG . . . . . 0.403 ' NH1' ' HB2' ' A' ' 651' ' ' LYS . 7.8 mmt-85 -114.27 -14.38 12.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.121 . . . . 71.25 110.292 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 655' ' ' VAL . . . . . 0.577 HG11 ' CZ ' ' A' ' 657' ' ' PHE . 2.4 t -40.26 125.66 1.73 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.442 1.089 . . . . 73.34 109.289 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 656' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 -49.71 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.466 1.771 . . . . 74.5 111.0 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 657' ' ' PHE . . . . . 0.577 ' CZ ' HG11 ' A' ' 655' ' ' VAL . 50.8 p90 -68.06 160.78 28.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 73.42 110.992 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 658' ' ' SER . . . . . 0.419 ' O ' ' CG1' ' A' ' 549' ' ' VAL . 9.8 m -88.44 149.54 23.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 40.45 110.04 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 659' ' ' VAL . . . . . 0.563 ' CG1' ' CD2' ' A' ' 577' ' ' HIS . 2.1 t -135.98 96.85 12.71 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 65.44 109.274 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 660' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 147.48 34.11 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.45 1.763 . . . . 72.12 111.013 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 19.6 p-10 -56.95 151.29 15.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 75.11 109.249 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 662' ' ' PHE . . . . . 0.562 ' CD1' HD13 ' A' ' 630' ' ' LEU . 51.4 t80 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 75.51 111.006 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 546' ' ' GLN . . . . . 0.522 ' C ' ' CD1' ' A' ' 547' ' ' PHE . 19.4 mt-30 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.349 -0.241 . . . . 62.24 110.349 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 547' ' ' PHE . . . . . 0.624 ' CD1' ' N ' ' A' ' 547' ' ' PHE . 0.1 OUTLIER -149.32 102.47 3.31 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 74.43 111.007 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 548' ' ' PRO . . . . . 0.439 ' HB2' ' CG ' ' A' ' 550' ' ' GLU . 18.3 Cg_endo -74.98 137.63 22.0 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.505 1.792 . . . . 53.0 110.996 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 549' ' ' VAL . . . . . 0.413 HG22 ' N ' ' A' ' 550' ' ' GLU . 35.6 m -48.46 -40.31 10.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 73.21 109.267 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 550' ' ' GLU . . . . . 0.439 ' CG ' ' HB2' ' A' ' 548' ' ' PRO . 2.1 pt-20 -57.53 -35.04 69.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 73.54 110.304 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 10.4 m170 -82.69 -16.71 47.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 74.43 109.609 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 552' ' ' VAL . . . . . 0.455 ' CG2' ' HB3' ' A' ' 657' ' ' PHE . 77.5 t -94.49 128.11 45.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 73.1 109.321 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 553' ' ' GLN . . . . . 0.43 ' OE1' ' NE2' ' A' ' 565' ' ' HIS . 10.3 tt0 -117.65 142.43 47.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 73.4 110.315 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 1.2 mt -83.89 114.05 21.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 64.34 109.288 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 555' ' ' LEU . . . . . 0.493 HD21 ' CA ' ' A' ' 562' ' ' ALA . 0.2 OUTLIER -135.89 177.06 8.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 74.42 109.286 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 556' ' ' CYS . . . . . 0.52 ' O ' ' N ' ' A' ' 560' ' ' MET . 5.8 t -101.88 105.1 15.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.002 -0.999 . . . . 62.44 110.912 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 557' ' ' ILE . . . . . 0.483 HG22 ' CG ' ' A' ' 648' ' ' GLN . 0.8 OUTLIER -34.4 -35.62 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 75.4 109.296 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 558' ' ' ASN . . . . . 0.488 ' N ' ' O ' ' A' ' 556' ' ' CYS . 8.0 m-20 -79.45 -61.67 1.93 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 74.42 109.321 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 559' ' ' CYS . . . . . 1.053 ' CB ' ' SG ' ' A' ' 615' ' ' CYS . 1.9 m -71.01 -71.61 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.093 . . . . 64.3 108.323 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 560' ' ' MET . . . . . 0.52 ' N ' ' O ' ' A' ' 556' ' ' CYS . 30.8 mtm 77.36 42.15 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 74.43 110.997 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 561' ' ' VAL . . . . . 0.503 ' O ' ' CB ' ' A' ' 562' ' ' ALA . 1.0 OUTLIER -107.14 -3.68 10.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.559 1.162 . . . . 73.31 109.329 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 562' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 561' ' ' VAL . . . 84.09 100.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 74.4 109.255 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 563' ' ' VAL . . . . . 0.486 HG12 ' CD1' ' A' ' 587' ' ' TYR . 2.0 m -99.02 -4.86 9.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 74.45 109.305 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . 179.91 -161.0 26.45 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.467 1.104 . . . . 61.33 111.012 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 565' ' ' HIS . . . . . 0.43 ' NE2' ' OE1' ' A' ' 553' ' ' GLN . 49.9 m80 -125.76 145.43 50.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 0.77 . . . . 74.31 109.636 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 566' ' ' GLY . . . . . 0.411 ' O ' ' CD1' ' A' ' 569' ' ' LEU . . . -73.62 -14.95 79.41 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.484 1.115 . . . . 74.11 111.002 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 18.5 p -105.01 8.39 34.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 0.74 . . . . 60.22 110.017 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -109.05 -21.01 12.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 75.24 109.316 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 569' ' ' LEU . . . . . 0.462 ' CB ' ' HA ' ' A' ' 579' ' ' ASN . 0.2 OUTLIER -81.88 155.45 25.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 72.02 109.278 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 570' ' ' ARG . . . . . . . . . . . . . 30.2 mtm180 -147.73 144.64 28.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 75.01 110.307 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 571' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 662' ' ' PHE . 19.2 ttmt -73.36 158.25 35.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 75.44 109.295 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 572' ' ' VAL . . . . . 0.433 HG23 ' CG2' ' A' ' 578' ' ' VAL . 2.8 t -122.0 112.74 36.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 74.23 109.294 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 573' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 43.74 35.0 0.94 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 71.53 110.284 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 45.38 43.97 10.5 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.522 1.139 . . . . 73.02 111.009 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 1.5 m -109.24 -48.98 3.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 0.773 . . . . 61.14 110.387 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -159.2 135.13 8.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 64.44 109.606 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 577' ' ' HIS . . . . . 0.689 ' CD2' ' CG ' ' A' ' 652' ' ' TRP . 7.8 m-70 -64.32 126.0 26.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 73.44 109.611 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 578' ' ' VAL . . . . . 0.433 ' CG2' HG23 ' A' ' 572' ' ' VAL . 30.9 m -130.0 126.61 62.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 71.24 109.352 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 579' ' ' ASN . . . . . 0.462 ' HA ' ' CB ' ' A' ' 569' ' ' LEU . 1.9 t-20 -92.53 121.24 33.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 74.42 109.306 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 580' ' ' VAL . . . . . 0.467 HG12 ' CD2' ' A' ' 630' ' ' LEU . 3.8 t -95.11 138.37 21.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 74.51 109.255 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 581' ' ' ASN . . . . . 0.74 HD22 ' ND2' ' A' ' 583' ' ' ASN . 23.6 t-20 173.35 130.74 0.1 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 74.43 109.307 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 582' ' ' PRO . . . . . 0.418 ' HD2' ' ND2' ' A' ' 581' ' ' ASN . 18.4 Cg_endo -74.96 -24.95 12.41 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.494 1.786 . . . . 72.15 111.066 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 583' ' ' ASN . . . . . 0.74 ' ND2' HD22 ' A' ' 581' ' ' ASN . 0.2 OUTLIER -80.9 -1.51 43.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 75.23 109.275 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 584' ' ' PHE . . . . . 0.482 ' O ' ' CD2' ' A' ' 588' ' ' TYR . 2.7 t80 -75.99 -31.16 58.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 74.34 110.991 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 585' ' ' SER . . . . . 0.431 ' HA ' ' CE2' ' A' ' 588' ' ' TYR . 6.3 m -58.59 -27.02 64.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 52.14 109.981 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -87.16 -14.07 42.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 74.42 109.295 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 587' ' ' TYR . . . . . 0.486 ' CD1' HG12 ' A' ' 563' ' ' VAL . 3.0 m-85 -95.46 6.87 47.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 72.11 111.017 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 588' ' ' TYR . . . . . 0.635 ' CD1' ' CG2' ' A' ' 610' ' ' ILE . 0.9 OUTLIER -167.98 158.48 10.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 74.23 110.99 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 589' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -132.95 124.53 27.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 75.53 109.325 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 39.9 t -72.87 149.86 8.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.153 . . . . 74.23 109.246 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 4.0 t . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 65.33 110.023 -180.0 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 604' ' ' TRP . . . . . 0.53 ' CE2' ' SD ' ' A' ' 623' ' ' MET . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 108.032 -1.099 . . . . 74.41 108.032 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 605' ' ' LYS . . . . . 0.416 ' NZ ' ' HB ' ' A' ' 624' ' ' ILE . 6.0 ptmm? -112.04 154.0 44.39 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 73.04 109.284 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 606' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 140.93 26.08 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.509 1.794 . . . . 73.4 111.051 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 607' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 622' ' ' GLN . . . -99.9 -127.11 5.9 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.494 1.121 . . . . 61.24 110.996 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 608' ' ' GLY . . . . . 0.409 ' O ' ' N ' ' A' ' 622' ' ' GLN . . . -141.13 156.46 25.6 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.989 -0.844 . . . . 70.11 110.989 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 12.1 t -53.97 134.34 16.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.508 0.77 . . . . 74.24 109.265 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 610' ' ' ILE . . . . . 0.635 ' CG2' ' CD1' ' A' ' 588' ' ' TYR . 0.8 OUTLIER -110.26 143.93 19.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 75.2 109.305 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -137.85 119.1 14.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 62.02 110.028 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 612' ' ' CYS . . . . . 0.451 ' O ' ' N ' ' A' ' 616' ' ' GLY . 47.6 t -47.82 119.28 2.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 74.12 108.312 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 6.9 ttt-85 -67.51 -28.15 67.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 72.14 110.295 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 614' ' ' ASN . . . . . . . . . . . . . 60.5 m-20 -66.08 -40.05 90.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 74.43 109.294 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 615' ' ' CYS . . . . . 1.053 ' SG ' ' CB ' ' A' ' 559' ' ' CYS . 0.0 OUTLIER -123.22 -75.54 0.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 71.31 108.302 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 616' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 147.86 -17.21 1.4 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.516 1.135 . . . . 73.11 111.001 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 617' ' ' GLU . . . . . 0.428 ' OE2' ' ND2' ' A' ' 558' ' ' ASN . 2.9 tp10 -42.61 102.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 0.783 . . . . 73.41 110.325 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 91.1 t -53.58 112.32 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 74.03 109.301 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 619' ' ' TRP . . . . . 0.505 ' CE2' ' CE ' ' A' ' 638' ' ' MET . 34.4 m0 -71.31 -52.62 17.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 72.04 107.969 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 620' ' ' GLY . . . . . . . . . . . . . . . 177.93 -97.73 0.11 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.504 1.128 . . . . 72.23 111.033 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 621' ' ' LEU . . . . . 0.449 ' C ' ' CD2' ' A' ' 621' ' ' LEU . 0.0 OUTLIER -161.21 170.63 19.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 0.775 . . . . 73.12 109.294 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 622' ' ' GLN . . . . . 0.434 ' O ' ' N ' ' A' ' 607' ' ' GLY . 0.6 OUTLIER -93.79 161.68 14.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 73.45 110.3 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 623' ' ' MET . . . . . 0.53 ' SD ' ' CE2' ' A' ' 604' ' ' TRP . 5.7 mmt -145.71 118.96 8.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 73.14 111.008 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 624' ' ' ILE . . . . . 0.523 ' CD1' ' N ' ' A' ' 624' ' ' ILE . 1.8 mp -95.36 134.1 33.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 71.5 109.304 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 625' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -140.02 105.64 5.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 74.02 111.021 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 626' ' ' LYS . . . . . 0.493 ' O ' ' CB ' ' A' ' 627' ' ' SER . 6.0 mmpt? 71.5 20.69 4.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 74.55 109.297 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 627' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.2 p 85.49 38.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 73.14 109.999 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 628' ' ' VAL . . . . . 0.465 HG13 ' CD2' ' A' ' 630' ' ' LEU . 38.8 t -128.18 113.36 30.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 71.11 109.265 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 3.0 mmmm -67.81 99.35 0.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 75.31 109.347 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 630' ' ' LEU . . . . . 0.467 ' CD2' HG12 ' A' ' 580' ' ' VAL . 66.2 mt -112.83 111.54 51.16 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 72.34 109.297 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 631' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 131.66 14.52 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.505 1.792 . . . . 72.43 111.018 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 632' ' ' VAL . . . . . 0.465 HG22 ' CG ' ' A' ' 623' ' ' MET . 91.7 t -99.35 93.4 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 65.43 109.299 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 633' ' ' LEU . . . . . 0.484 ' CD1' ' N ' ' A' ' 633' ' ' LEU . 0.0 OUTLIER -99.34 170.2 8.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 74.41 109.289 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 634' ' ' LYS . . . . . 0.474 ' HE3' ' CG ' ' A' ' 636' ' ' ARG . 0.6 OUTLIER -109.42 -169.56 1.5 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 74.54 109.238 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 635' ' ' VAL . . . . . 0.568 HG12 ' CD1' ' A' ' 652' ' ' TRP . 12.0 p -112.0 -17.93 8.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 71.22 109.307 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 636' ' ' ARG . . . . . 0.474 ' CG ' ' HE3' ' A' ' 634' ' ' LYS . 2.6 ptt85 -77.95 -9.6 59.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 73.11 110.291 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 637' ' ' SER . . . . . 0.432 ' C ' HG21 ' A' ' 557' ' ' ILE . 89.8 p -121.52 -3.33 9.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 71.34 109.996 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 638' ' ' MET . . . . . 0.505 ' CE ' ' CE2' ' A' ' 619' ' ' TRP . 31.0 mmt -112.86 121.41 44.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 74.32 111.055 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 639' ' ' LEU . . . . . . . . . . . . . 26.3 tp -89.82 152.24 21.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 74.54 109.333 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 640' ' ' LEU . . . . . 0.557 HD23 ' CE2' ' A' ' 657' ' ' PHE . 6.9 mt -120.97 103.37 9.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 72.11 109.301 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -73.92 126.59 30.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 71.05 110.306 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 642' ' ' THR . . . . . . . . . . . . . 1.9 p -135.52 159.03 73.08 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 74.04 110.387 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -20.07 17.11 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.473 1.775 . . . . 71.24 110.957 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -87.54 -16.0 35.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 75.01 110.299 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 135.45 133.88 3.3 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.493 1.121 . . . . 72.31 111.012 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 24.6 mtm-85 -46.77 152.15 0.52 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 0.763 . . . . 70.31 110.307 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 647' ' ' ILE . . . . . . . . . . . . . 11.2 mt -137.28 135.21 47.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 74.44 109.347 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 648' ' ' GLN . . . . . 0.483 ' CG ' HG22 ' A' ' 557' ' ' ILE . 0.1 OUTLIER -133.86 117.01 16.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.103 . . . . 74.5 110.329 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 649' ' ' ALA . . . . . 0.417 ' N ' ' OE1' ' A' ' 648' ' ' GLN . . . -126.03 151.34 47.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 64.23 109.362 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 650' ' ' LYS . . . . . 0.41 ' HA ' ' CB ' ' A' ' 636' ' ' ARG . 7.2 mttm -94.56 4.73 53.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 74.21 109.32 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 651' ' ' LYS . . . . . 0.422 ' N ' HG11 ' A' ' 635' ' ' VAL . 2.0 mmmp? -142.66 142.54 32.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 74.54 109.294 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 652' ' ' TRP . . . . . 0.689 ' CG ' ' CD2' ' A' ' 577' ' ' HIS . 46.1 m95 -73.34 -17.1 61.33 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.994 -1.113 . . . . 64.1 107.994 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 2.2 m -63.65 -12.33 32.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 65.03 109.952 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 654' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 655' ' ' VAL . 9.2 mmt85 -107.23 -24.84 11.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 62.21 110.272 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 655' ' ' VAL . . . . . 0.575 HG11 ' CE2' ' A' ' 657' ' ' PHE . 2.4 t -40.41 125.23 1.79 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 63.14 109.277 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 656' ' ' PRO . . . . . 0.466 ' HD2' ' CD1' ' A' ' 640' ' ' LEU . 18.2 Cg_endo -75.01 -50.09 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.505 1.792 . . . . 73.24 110.97 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 657' ' ' PHE . . . . . 0.575 ' CE2' HG11 ' A' ' 655' ' ' VAL . 19.7 p90 -63.44 150.15 44.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.167 . . . . 62.41 110.971 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.25 143.21 30.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 75.03 110.002 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 659' ' ' VAL . . . . . 0.568 ' CG2' ' CE1' ' A' ' 657' ' ' PHE . 1.9 t -121.26 95.44 48.54 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 71.35 109.348 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 660' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 147.88 34.48 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.561 1.821 . . . . 74.31 111.013 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 9.4 p30 -59.9 163.8 4.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 72.12 109.272 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 662' ' ' PHE . . . . . 0.447 ' N ' ' O ' ' A' ' 571' ' ' LYS . 62.4 t80 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 73.35 111.012 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 546' ' ' GLN . . . . . 0.584 ' C ' ' CD1' ' A' ' 547' ' ' PHE . 1.8 pt20 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.28 -0.267 . . . . 73.02 110.28 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 547' ' ' PHE . . . . . 0.584 ' CD1' ' C ' ' A' ' 546' ' ' GLN . 0.7 OUTLIER -159.67 99.81 1.51 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 73.53 111.001 179.93 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 548' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 144.24 29.78 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.512 1.796 . . . . 74.03 110.963 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 549' ' ' VAL . . . . . 0.443 ' CG1' ' O ' ' A' ' 658' ' ' SER . 29.1 m -51.35 -44.62 31.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.12 . . . . 62.42 109.275 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 550' ' ' GLU . . . . . 0.408 ' N ' HG21 ' A' ' 549' ' ' VAL . 2.4 pt-20 -53.91 -28.8 39.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 72.42 110.319 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 8.7 m170 -90.79 -21.83 21.32 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.424 1.078 . . . . 51.53 109.61 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 552' ' ' VAL . . . . . 0.549 HG11 ' CD1' ' A' ' 657' ' ' PHE . 41.8 t -93.07 124.84 45.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 73.34 109.304 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -111.03 148.16 33.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 73.44 110.327 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -89.04 112.33 23.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 75.11 109.28 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 555' ' ' LEU . . . . . 0.52 HD22 ' CA ' ' A' ' 562' ' ' ALA . 0.2 OUTLIER -131.96 178.72 6.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 71.03 109.26 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 556' ' ' CYS . . . . . 0.519 ' O ' ' N ' ' A' ' 560' ' ' MET . 2.4 t -107.47 99.12 8.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 114.956 -1.02 . . . . 73.15 110.89 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 557' ' ' ILE . . . . . 0.513 ' C ' ' O ' ' A' ' 556' ' ' CYS . 1.2 pt -31.49 -38.83 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 71.13 109.313 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 558' ' ' ASN . . . . . 0.516 ' N ' ' O ' ' A' ' 556' ' ' CYS . 13.7 m-20 -71.99 -64.21 0.98 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 61.14 109.277 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 559' ' ' CYS . . . . . 1.16 ' CB ' ' SG ' ' A' ' 615' ' ' CYS . 6.9 m -74.96 -70.48 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 71.35 108.314 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 560' ' ' MET . . . . . 0.519 ' N ' ' O ' ' A' ' 556' ' ' CYS . 28.1 mtm 79.14 46.37 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 62.34 110.988 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 561' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -114.67 15.65 8.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 74.55 109.281 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 562' ' ' ALA . . . . . 0.52 ' CA ' HD22 ' A' ' 555' ' ' LEU . . . 66.07 108.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 52.13 109.296 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 563' ' ' VAL . . . . . 0.554 HG11 ' CD1' ' A' ' 587' ' ' TYR . 1.1 m -107.4 -6.67 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 71.01 109.306 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -178.25 -158.08 20.26 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.465 1.103 . . . . 72.5 111.064 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 565' ' ' HIS . . . . . . . . . . . . . 39.2 m80 -128.83 146.13 51.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 0.746 . . . . 71.11 109.605 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . -75.36 -4.94 75.81 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.526 1.141 . . . . 70.4 111.022 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 20.2 p -112.18 9.12 20.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 0.793 . . . . 62.52 110.049 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 568' ' ' ASP . . . . . 0.482 ' O ' ' CZ ' ' A' ' 570' ' ' ARG . 4.2 t0 -110.36 -19.46 12.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 52.42 109.321 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 569' ' ' LEU . . . . . 0.483 ' C ' ' CD1' ' A' ' 569' ' ' LEU . 0.1 OUTLIER -83.15 164.47 20.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 71.12 109.31 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 570' ' ' ARG . . . . . 0.482 ' CZ ' ' O ' ' A' ' 568' ' ' ASP . 0.6 OUTLIER -143.83 -177.64 5.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 74.21 110.293 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 571' ' ' LYS . . . . . 0.515 ' HD3' ' CE1' ' A' ' 577' ' ' HIS . 13.3 ttpt -117.81 158.57 24.55 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 72.1 109.31 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 2.4 t -125.7 114.03 37.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 71.35 109.32 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 573' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 41.2 36.94 0.53 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 74.31 110.31 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 39.5 55.15 2.64 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.462 1.101 . . . . 75.43 110.987 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 2.2 m -131.27 -60.66 0.94 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.445 0.732 . . . . 72.13 110.383 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 576' ' ' HIS . . . . . 0.694 ' CE1' ' CZ2' ' A' ' 604' ' ' TRP . 0.0 OUTLIER -133.0 124.62 28.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 72.52 109.635 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 577' ' ' HIS . . . . . 0.537 ' CD2' ' CG ' ' A' ' 652' ' ' TRP . 30.7 m-70 -69.17 156.46 38.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 74.14 109.564 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 578' ' ' VAL . . . . . 0.422 ' CG1' ' O ' ' A' ' 577' ' ' HIS . 18.1 m -155.93 115.19 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 74.3 109.268 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 579' ' ' ASN . . . . . 0.475 ' HB3' ' CD2' ' A' ' 633' ' ' LEU . 2.0 t-20 -86.88 111.6 20.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 70.2 109.323 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 580' ' ' VAL . . . . . 0.46 ' CG2' HD21 ' A' ' 630' ' ' LEU . 3.0 t -81.88 139.24 18.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 73.21 109.273 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 581' ' ' ASN . . . . . 0.476 ' CB ' ' HB2' ' A' ' 584' ' ' PHE . 20.3 m-20 178.86 128.44 0.22 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 74.14 109.279 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 582' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -34.08 4.06 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.48 1.779 . . . . 71.2 110.992 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 583' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -79.29 -2.37 41.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 75.31 109.317 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 584' ' ' PHE . . . . . 0.512 ' O ' ' CD2' ' A' ' 588' ' ' TYR . 3.6 t80 -69.2 -32.87 72.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 74.3 110.995 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 585' ' ' SER . . . . . 0.564 ' HA ' ' CE2' ' A' ' 588' ' ' TYR . 84.0 p -56.95 -24.8 55.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 70.23 109.995 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 23.8 m-80 -87.78 -18.5 29.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 75.42 109.264 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 587' ' ' TYR . . . . . 0.554 ' CD1' HG11 ' A' ' 563' ' ' VAL . 4.9 m-85 -91.92 2.23 56.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 71.41 110.964 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 588' ' ' TYR . . . . . 0.579 ' CD1' ' C ' ' A' ' 588' ' ' TYR . 1.2 p90 -160.77 159.0 29.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 71.04 111.009 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 589' ' ' ASN . . . . . 0.466 ' N ' ' ND2' ' A' ' 589' ' ' ASN . 0.1 OUTLIER -128.41 128.95 45.43 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.472 1.108 . . . . 75.42 109.263 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 590' ' ' VAL . . . . . 0.432 ' CG1' ' HA3' ' A' ' 608' ' ' GLY . 13.0 t -76.05 133.99 29.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 73.52 109.336 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 11.8 m . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 74.45 109.992 -179.994 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 604' ' ' TRP . . . . . 0.694 ' CZ2' ' CE1' ' A' ' 576' ' ' HIS . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 108.001 -1.111 . . . . 74.23 108.001 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 605' ' ' LYS . . . . . . . . . . . . . 9.8 ptmt -108.92 154.29 41.96 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 73.32 109.284 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 606' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 171.51 18.17 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.434 1.755 . . . . 73.22 111.022 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 607' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 622' ' ' GLN . . . -133.02 -106.2 0.97 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.492 1.12 . . . . 74.4 110.98 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 608' ' ' GLY . . . . . 0.432 ' HA3' ' CG1' ' A' ' 590' ' ' VAL . . . -141.97 145.88 16.52 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.006 -0.838 . . . . 75.43 111.006 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 26.3 t -53.85 123.77 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.52 0.776 . . . . 74.23 109.3 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 610' ' ' ILE . . . . . 0.471 HG13 ' CA ' ' A' ' 621' ' ' LEU . 0.6 OUTLIER -92.22 153.23 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 75.21 109.305 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.12 122.81 4.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 75.24 109.957 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 612' ' ' CYS . . . . . 0.45 ' O ' ' N ' ' A' ' 616' ' ' GLY . 25.6 t -48.43 116.99 1.77 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 74.13 108.335 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 9.5 ttt180 -71.81 -25.24 61.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 74.11 110.285 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 614' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -66.04 -35.86 81.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 72.23 109.291 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 615' ' ' CYS . . . . . 1.16 ' SG ' ' CB ' ' A' ' 559' ' ' CYS . 1.4 m -127.42 -73.34 0.61 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.123 . . . . 72.21 108.288 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 616' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 150.98 -18.81 0.96 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.535 1.147 . . . . 61.52 111.026 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -42.08 102.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 0.781 . . . . 74.35 110.33 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 7.5 t -49.33 130.4 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 71.4 109.287 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 619' ' ' TRP . . . . . 0.578 ' CE2' ' CE ' ' A' ' 638' ' ' MET . 39.4 m0 -94.2 -36.21 12.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 74.23 107.994 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 620' ' ' GLY . . . . . . . . . . . . . . . 154.18 -113.5 0.57 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.455 1.097 . . . . 73.32 110.969 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 621' ' ' LEU . . . . . 0.5 ' CD2' ' O ' ' A' ' 622' ' ' GLN . 0.0 OUTLIER -147.84 155.76 41.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 0.773 . . . . 74.23 109.297 -179.941 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 622' ' ' GLN . . . . . 0.5 ' O ' ' CD2' ' A' ' 621' ' ' LEU . 1.1 tt0 -85.02 133.56 34.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 74.04 110.331 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 623' ' ' MET . . . . . 0.539 ' HG3' ' CH2' ' A' ' 604' ' ' TRP . 12.4 mmt -114.61 141.98 47.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 71.21 111.03 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 624' ' ' ILE . . . . . 0.419 ' CD1' ' N ' ' A' ' 624' ' ' ILE . 3.7 mp -115.37 141.53 31.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 74.04 109.302 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 625' ' ' TYR . . . . . 0.435 ' CE2' ' HG3' ' A' ' 626' ' ' LYS . 21.4 t80 -149.07 110.3 4.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 74.13 110.976 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 626' ' ' LYS . . . . . 0.492 ' O ' ' CB ' ' A' ' 627' ' ' SER . 1.2 mmpt? 68.47 18.54 8.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 75.35 109.306 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 627' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.2 p 85.37 39.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 72.21 109.998 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 628' ' ' VAL . . . . . 0.466 ' CG1' ' CD2' ' A' ' 630' ' ' LEU . 48.9 t -124.97 113.01 33.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.559 1.162 . . . . 63.22 109.323 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 629' ' ' LYS . . . . . 0.499 ' CE ' ' OE1' ' A' ' 622' ' ' GLN . 5.4 mmmm -71.44 99.38 1.99 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 75.15 109.324 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 630' ' ' LEU . . . . . 0.563 HD11 ' CE1' ' A' ' 662' ' ' PHE . 56.6 mt -115.55 111.76 43.74 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 74.51 109.313 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 631' ' ' PRO . . . . . 0.416 ' CG ' ' CD2' ' A' ' 584' ' ' PHE . 18.5 Cg_endo -74.98 129.59 12.5 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.5 1.789 . . . . 72.35 111.019 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 632' ' ' VAL . . . . . 0.448 ' C ' ' CD1' ' A' ' 633' ' ' LEU . 16.7 t -98.89 109.08 23.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 73.45 109.291 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 633' ' ' LEU . . . . . 0.543 ' CD1' ' N ' ' A' ' 633' ' ' LEU . 0.0 OUTLIER -111.03 171.73 7.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 73.1 109.327 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 634' ' ' LYS . . . . . 0.438 ' HE3' ' CG ' ' A' ' 636' ' ' ARG . 1.1 mtmt -99.95 -178.15 3.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.095 . . . . 73.13 109.299 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 635' ' ' VAL . . . . . 0.516 ' HB ' ' CD2' ' A' ' 652' ' ' TRP . 13.9 p -102.63 -28.95 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 73.4 109.299 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 636' ' ' ARG . . . . . 0.438 ' CG ' ' HE3' ' A' ' 634' ' ' LYS . 1.6 ptm180 -76.86 -17.59 58.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 75.23 110.265 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 4.9 p -99.47 -11.69 20.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 74.21 110.005 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 638' ' ' MET . . . . . 0.578 ' CE ' ' CE2' ' A' ' 619' ' ' TRP . 32.9 mmt -109.09 129.09 55.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 73.01 111.034 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 639' ' ' LEU . . . . . . . . . . . . . 7.2 tp -93.03 141.31 28.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 74.53 109.318 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 640' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -109.18 94.37 5.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 71.32 109.253 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . 0.466 ' CG ' HD11 ' A' ' 555' ' ' LEU . 7.3 mt-10 -75.43 127.81 33.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 74.32 110.277 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 642' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.42 160.31 67.27 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.113 . . . . 70.53 110.379 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 1.96 7.14 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.46 1.768 . . . . 73.4 110.977 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -108.96 -9.09 15.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 73.1 110.313 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 127.18 134.53 3.98 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.521 1.138 . . . . 73.24 110.945 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 66.0 mtm180 -46.11 152.32 0.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 0.755 . . . . 74.35 110.258 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 647' ' ' ILE . . . . . . . . . . . . . 35.5 mt -139.76 134.61 38.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 73.42 109.275 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 648' ' ' GLN . . . . . 0.472 ' CG ' HG21 ' A' ' 557' ' ' ILE . 1.6 tm0? -133.92 110.11 9.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.134 . . . . 72.41 110.317 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 649' ' ' ALA . . . . . 0.478 ' CB ' ' HB2' ' A' ' 654' ' ' ARG . . . -101.21 -178.39 3.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 65.01 109.293 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 39.1 mttt -114.14 -13.31 12.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 74.44 109.261 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 651' ' ' LYS . . . . . 0.452 ' C ' ' CG1' ' A' ' 635' ' ' VAL . 13.7 mmmt -144.24 160.16 41.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 73.1 109.316 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 652' ' ' TRP . . . . . 0.537 ' CG ' ' CD2' ' A' ' 577' ' ' HIS . 69.0 m95 -74.52 -6.06 46.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 72.1 107.993 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 1.9 t -72.13 -18.37 61.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 74.44 109.972 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 654' ' ' ARG . . . . . 0.478 ' HB2' ' CB ' ' A' ' 649' ' ' ALA . 6.0 mmm-85 -100.58 -17.67 16.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 75.3 110.298 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 655' ' ' VAL . . . . . 0.565 HG11 ' CZ ' ' A' ' 657' ' ' PHE . 2.9 t -40.17 118.74 1.43 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 75.21 109.339 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 656' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -42.62 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.532 1.806 . . . . 74.43 111.015 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 657' ' ' PHE . . . . . 0.565 ' CZ ' HG11 ' A' ' 655' ' ' VAL . 50.5 p90 -72.71 160.39 32.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 73.21 111.003 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 658' ' ' SER . . . . . 0.443 ' O ' ' CG1' ' A' ' 549' ' ' VAL . 42.2 m -88.68 149.54 23.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 74.53 110.026 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 659' ' ' VAL . . . . . 0.523 HG21 ' CE2' ' A' ' 657' ' ' PHE . 2.2 t -133.97 95.48 17.07 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 75.52 109.283 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 660' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 148.82 35.69 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.512 1.796 . . . . 73.52 110.981 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 58.3 p30 -54.67 166.6 0.45 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 75.1 109.295 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 662' ' ' PHE . . . . . 0.563 ' CE1' HD11 ' A' ' 630' ' ' LEU . 47.9 t80 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 74.3 110.984 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 546' ' ' GLN . . . . . 0.595 ' C ' ' CD1' ' A' ' 547' ' ' PHE . 3.6 pt20 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.329 -0.249 . . . . 75.5 110.329 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 547' ' ' PHE . . . . . 0.647 ' CD1' ' N ' ' A' ' 547' ' ' PHE . 0.1 OUTLIER -153.16 98.21 2.77 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 74.4 111.03 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 548' ' ' PRO . . . . . 0.509 ' HG2' ' CG ' ' A' ' 551' ' ' HIS . 18.1 Cg_endo -75.0 138.02 22.46 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.492 1.785 . . . . 71.04 111.024 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 549' ' ' VAL . . . . . 0.433 ' CG2' ' OG ' ' A' ' 567' ' ' SER . 17.9 m -52.92 -32.26 17.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 73.34 109.258 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 550' ' ' GLU . . . . . 0.451 ' OE2' ' NE2' ' A' ' 551' ' ' HIS . 2.6 pt-20 -66.22 -30.27 70.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 74.22 110.303 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 551' ' ' HIS . . . . . 0.509 ' CG ' ' HG2' ' A' ' 548' ' ' PRO . 23.9 m170 -96.46 -8.92 30.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 75.5 109.556 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 552' ' ' VAL . . . . . 0.464 ' CG1' HD11 ' A' ' 640' ' ' LEU . 86.8 t -103.13 130.12 53.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 74.23 109.261 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 553' ' ' GLN . . . . . 0.4 ' C ' HD12 ' A' ' 555' ' ' LEU . 10.1 tt0 -119.37 162.33 18.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 71.43 110.311 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 1.3 mt -96.43 108.48 21.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 74.11 109.277 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 555' ' ' LEU . . . . . 0.574 ' CD1' ' N ' ' A' ' 555' ' ' LEU . 0.4 OUTLIER -120.8 172.03 8.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.571 1.169 . . . . 74.34 109.349 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 556' ' ' CYS . . . . . 0.562 ' O ' ' N ' ' A' ' 560' ' ' MET . 3.5 t -107.96 109.29 20.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.02 -0.991 . . . . 72.11 110.958 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 557' ' ' ILE . . . . . 0.496 HG23 ' CG ' ' A' ' 648' ' ' GLN . 0.9 OUTLIER -36.05 -32.23 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.1 . . . . 71.43 109.293 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 558' ' ' ASN . . . . . 0.509 ' N ' ' O ' ' A' ' 556' ' ' CYS . 2.7 m120 -86.23 -67.05 0.84 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 74.41 109.311 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 559' ' ' CYS . . . . . 0.969 ' SG ' ' SG ' ' A' ' 615' ' ' CYS . 3.7 m -62.42 -64.53 0.9 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 64.21 108.306 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 560' ' ' MET . . . . . 0.562 ' N ' ' O ' ' A' ' 556' ' ' CYS . 11.6 mtm 68.24 39.94 2.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 75.21 110.994 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 561' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -117.81 11.87 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 75.43 109.301 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 562' ' ' ALA . . . . . . . . . . . . . . . 66.17 112.44 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 75.02 109.284 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 563' ' ' VAL . . . . . 0.512 ' O ' ' CD2' ' A' ' 587' ' ' TYR . 1.0 OUTLIER -106.96 -8.21 10.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 55.31 109.307 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -170.26 -148.71 6.04 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.501 1.125 . . . . 74.21 111.002 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 565' ' ' HIS . . . . . . . . . . . . . 18.9 m-70 -138.84 150.17 45.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 0.794 . . . . 74.41 109.613 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 566' ' ' GLY . . . . . 0.495 ' O ' ' CD1' ' A' ' 569' ' ' LEU . . . -80.49 -12.89 82.48 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.534 1.146 . . . . 64.22 111.008 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 567' ' ' SER . . . . . 0.433 ' OG ' ' CG2' ' A' ' 549' ' ' VAL . 9.2 t -101.96 2.22 37.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 0.751 . . . . 72.14 110.001 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -106.17 -24.47 12.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 71.43 109.294 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 569' ' ' LEU . . . . . 0.495 ' CD1' ' O ' ' A' ' 566' ' ' GLY . 0.2 OUTLIER -74.18 149.89 40.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 74.41 109.329 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 570' ' ' ARG . . . . . . . . . . . . . 15.2 mmm-85 -137.53 144.93 42.38 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 73.21 110.281 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 571' ' ' LYS . . . . . 0.553 ' HD3' ' CE1' ' A' ' 577' ' ' HIS . 18.5 ttpt -79.66 158.75 26.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 71.31 109.336 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 572' ' ' VAL . . . . . 0.417 ' CG2' HG22 ' A' ' 578' ' ' VAL . 2.6 t -112.09 107.75 23.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 72.13 109.307 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 573' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 41.36 36.79 0.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 75.12 110.264 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 574' ' ' GLY . . . . . 0.463 ' HA2' ' CD ' ' A' ' 571' ' ' LYS . . . 49.86 49.4 35.27 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.506 1.129 . . . . 72.11 110.989 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 1.2 m -125.27 -64.67 1.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 0.768 . . . . 74.25 110.364 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -127.13 150.71 49.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.138 . . . . 74.31 109.626 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 577' ' ' HIS . . . . . 0.796 ' CD2' ' CE3' ' A' ' 652' ' ' TRP . 9.9 m80 -88.0 130.23 35.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 72.31 109.573 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 578' ' ' VAL . . . . . 0.458 ' CG1' HG21 ' A' ' 632' ' ' VAL . 22.3 m -137.46 108.62 5.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 73.23 109.29 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 579' ' ' ASN . . . . . 0.449 ' HB3' ' CD2' ' A' ' 633' ' ' LEU . 1.5 t-20 -79.86 110.07 14.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 71.22 109.331 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 580' ' ' VAL . . . . . 0.467 ' CG2' HD23 ' A' ' 630' ' ' LEU . 3.3 t -81.51 151.43 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 75.23 109.315 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 581' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 580' ' ' VAL . 0.3 OUTLIER 161.82 126.67 0.01 OUTLIER Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 62.14 109.282 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 582' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -24.61 12.74 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.545 1.813 . . . . 74.52 111.034 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 583' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -81.86 -4.45 56.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 73.15 109.293 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 584' ' ' PHE . . . . . 0.553 ' O ' ' CD2' ' A' ' 588' ' ' TYR . 2.3 t80 -72.46 -32.86 66.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 73.02 111.012 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 585' ' ' SER . . . . . 0.516 ' HA ' ' CE2' ' A' ' 588' ' ' TYR . 9.1 t -57.01 -25.15 58.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.157 . . . . 75.41 110.013 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -87.83 -18.0 30.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 70.31 109.262 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 587' ' ' TYR . . . . . 0.512 ' CD2' ' O ' ' A' ' 563' ' ' VAL . 6.5 m-85 -92.5 2.08 56.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 72.04 110.993 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 588' ' ' TYR . . . . . 0.58 ' CD1' ' C ' ' A' ' 588' ' ' TYR . 1.6 p90 -161.29 161.1 30.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 61.23 111.051 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 589' ' ' ASN . . . . . 0.401 ' ND2' ' HB2' ' A' ' 613' ' ' ARG . 37.4 m-80 -128.74 126.2 39.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 74.12 109.311 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 590' ' ' VAL . . . . . 0.42 ' CG1' ' HA3' ' A' ' 608' ' ' GLY . 7.9 t -73.16 141.49 16.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 63.42 109.28 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 7.7 p . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 73.11 110.006 179.992 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 604' ' ' TRP . . . . . 0.601 ' CH2' ' SD ' ' A' ' 623' ' ' MET . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 108.003 -1.11 . . . . 75.3 108.003 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 605' ' ' LYS . . . . . . . . . . . . . 22.8 pttt -86.39 163.21 43.09 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 75.03 109.329 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 606' ' ' PRO . . . . . 0.484 ' O ' ' CD1' ' A' ' 624' ' ' ILE . 18.1 Cg_endo -74.99 -166.49 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.466 1.772 . . . . 71.44 111.003 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 607' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 622' ' ' GLN . . . -152.97 -101.5 0.21 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.524 1.14 . . . . 61.41 111.027 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 608' ' ' GLY . . . . . 0.42 ' HA3' ' CG1' ' A' ' 590' ' ' VAL . . . -151.05 152.15 24.01 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 110.999 -0.84 . . . . 74.25 110.999 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 13.4 t -56.53 128.3 16.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.536 0.786 . . . . 75.51 109.291 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 610' ' ' ILE . . . . . 0.457 HG13 ' CA ' ' A' ' 621' ' ' LEU . 0.6 OUTLIER -91.25 149.54 4.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 75.13 109.301 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -153.87 114.81 4.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.169 . . . . 75.0 110.028 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 612' ' ' CYS . . . . . 0.439 ' HB2' ' CE2' ' A' ' 619' ' ' TRP . 19.2 t -48.23 122.36 5.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 75.23 108.288 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 613' ' ' ARG . . . . . 0.401 ' HB2' ' ND2' ' A' ' 589' ' ' ASN . 6.7 ttt180 -69.92 -27.42 64.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 71.42 110.292 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 614' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -66.84 -38.87 87.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 64.34 109.28 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 615' ' ' CYS . . . . . 0.969 ' SG ' ' SG ' ' A' ' 559' ' ' CYS . 0.0 OUTLIER -122.94 -76.89 0.59 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 73.11 108.338 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 616' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 147.69 -17.72 1.44 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.528 1.143 . . . . 75.52 110.976 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -42.9 102.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 0.756 . . . . 75.51 110.3 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 23.9 t -50.63 118.97 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 61.24 109.3 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 619' ' ' TRP . . . . . 0.569 ' CZ2' ' HE3' ' A' ' 638' ' ' MET . 41.7 m0 -83.76 -22.56 31.87 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.014 -1.106 . . . . 74.33 108.014 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 620' ' ' GLY . . . . . . . . . . . . . . . 145.89 -116.44 0.89 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.513 1.133 . . . . 72.21 111.001 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 621' ' ' LEU . . . . . 0.457 ' CA ' HG13 ' A' ' 610' ' ' ILE . 0.0 OUTLIER -145.66 161.58 39.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 0.747 . . . . 73.43 109.279 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 622' ' ' GLN . . . . . 0.486 ' OE1' ' CE ' ' A' ' 629' ' ' LYS . 1.2 tt0 -93.96 136.82 33.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 75.54 110.28 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 623' ' ' MET . . . . . 0.601 ' SD ' ' CH2' ' A' ' 604' ' ' TRP . 13.9 mtp -119.43 136.55 54.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 75.23 111.008 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 624' ' ' ILE . . . . . 0.484 ' CD1' ' O ' ' A' ' 606' ' ' PRO . 4.6 mp -110.08 132.97 56.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 75.3 109.292 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 625' ' ' TYR . . . . . 0.566 ' C ' ' CD1' ' A' ' 625' ' ' TYR . 0.2 OUTLIER -137.74 117.11 12.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.128 . . . . 74.24 111.024 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 626' ' ' LYS . . . . . 0.505 ' O ' ' CB ' ' A' ' 627' ' ' SER . 0.8 OUTLIER 56.22 22.65 6.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 65.32 109.31 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 627' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.2 p 85.88 42.04 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 51.52 110.038 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 628' ' ' VAL . . . . . 0.511 ' CG1' ' CD2' ' A' ' 630' ' ' LEU . 53.9 t -127.68 112.53 28.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 72.4 109.278 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 629' ' ' LYS . . . . . 0.486 ' CE ' ' OE1' ' A' ' 622' ' ' GLN . 6.5 mmmm -75.7 100.54 4.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 73.31 109.303 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 630' ' ' LEU . . . . . 0.511 ' CD2' ' CG1' ' A' ' 628' ' ' VAL . 30.8 mt -119.01 111.69 36.94 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 70.4 109.343 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 631' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 136.92 20.96 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.536 1.809 . . . . 75.13 110.964 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 632' ' ' VAL . . . . . 0.458 HG21 ' CG1' ' A' ' 578' ' ' VAL . 5.1 t -102.13 99.0 7.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.133 . . . . 74.54 109.287 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 633' ' ' LEU . . . . . 0.594 ' CD1' ' N ' ' A' ' 633' ' ' LEU . 0.0 OUTLIER -102.51 171.77 7.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 73.12 109.34 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 634' ' ' LYS . . . . . 0.452 ' CD ' ' O ' ' A' ' 619' ' ' TRP . 0.0 OUTLIER -105.56 -165.34 1.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 72.02 109.301 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 635' ' ' VAL . . . . . 0.478 HG12 ' CG ' ' A' ' 652' ' ' TRP . 0.0 OUTLIER -112.0 -30.47 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 70.12 109.307 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 636' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -74.06 -3.2 27.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 71.23 110.314 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 4.8 p -114.5 -11.43 12.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 62.22 109.981 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 638' ' ' MET . . . . . 0.569 ' HE3' ' CZ2' ' A' ' 619' ' ' TRP . 29.0 mmt -112.5 133.7 54.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 75.54 111.008 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 639' ' ' LEU . . . . . 0.471 ' CD1' ' HA ' ' A' ' 557' ' ' ILE . 0.9 OUTLIER -110.3 111.97 23.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 72.22 109.281 -179.938 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 640' ' ' LEU . . . . . 0.571 HD11 ' CD1' ' A' ' 657' ' ' PHE . 2.0 mm? -79.89 112.24 16.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 74.24 109.277 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -74.45 135.66 42.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 71.35 110.304 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 642' ' ' THR . . . . . . . . . . . . . 7.6 p -141.51 158.65 62.89 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 74.42 110.387 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -18.31 18.87 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.482 1.78 . . . . 72.0 111.019 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -88.7 -7.89 55.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 72.14 110.291 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 126.11 135.67 4.3 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.492 1.12 . . . . 65.52 111.003 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 646' ' ' ARG . . . . . 0.458 ' CG ' HD22 ' A' ' 639' ' ' LEU . 15.5 mtm-85 -43.95 152.64 0.16 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 0.765 . . . . 74.41 110.268 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 647' ' ' ILE . . . . . . . . . . . . . 27.5 mt -135.43 139.36 46.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 73.14 109.318 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 648' ' ' GLN . . . . . 0.496 ' CG ' HG23 ' A' ' 557' ' ' ILE . 0.3 OUTLIER -133.52 109.68 9.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 71.32 110.29 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 649' ' ' ALA . . . . . . . . . . . . . . . -119.68 169.5 10.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 74.11 109.324 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 650' ' ' LYS . . . . . 0.447 ' C ' ' CG2' ' A' ' 635' ' ' VAL . 2.2 mtmt -116.62 -4.86 11.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 72.22 109.325 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 651' ' ' LYS . . . . . 0.471 ' CA ' HG21 ' A' ' 635' ' ' VAL . 0.0 OUTLIER -128.74 133.35 48.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 73.12 109.295 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 652' ' ' TRP . . . . . 0.796 ' CE3' ' CD2' ' A' ' 577' ' ' HIS . 69.5 m95 -65.02 -13.79 58.79 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.99 -1.115 . . . . 74.14 107.99 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 10.8 t -69.21 -13.82 62.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 75.25 110.005 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 654' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 655' ' ' VAL . 4.5 mmm180 -102.95 -22.79 13.77 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.506 1.129 . . . . 74.14 110.275 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 655' ' ' VAL . . . . . 0.575 HG13 ' CD1' ' A' ' 657' ' ' PHE . 2.2 t -39.94 130.62 1.54 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 73.12 109.319 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 656' ' ' PRO . . . . . 0.471 ' HB2' ' CG ' ' A' ' 547' ' ' PHE . 18.3 Cg_endo -75.01 -52.27 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.507 1.793 . . . . 75.34 111.005 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 657' ' ' PHE . . . . . 0.575 ' CD1' HG13 ' A' ' 655' ' ' VAL . 41.1 p90 -65.26 172.25 3.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 75.3 110.981 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 1.4 m -119.49 149.96 41.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.437 1.086 . . . . 73.11 110.056 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 659' ' ' VAL . . . . . 0.514 HG12 ' CD2' ' A' ' 577' ' ' HIS . 0.1 OUTLIER -149.77 107.12 3.26 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 54.14 109.295 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 660' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 167.63 26.63 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.507 1.793 . . . . 70.54 111.042 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -60.5 160.26 9.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 64.55 109.306 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 662' ' ' PHE . . . . . 0.468 ' N ' ' O ' ' A' ' 571' ' ' LYS . 37.5 t80 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 74.11 111.003 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 546' ' ' GLN . . . . . 0.437 ' O ' ' NE2' ' A' ' 644' ' ' GLN . 3.2 pt20 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.275 -0.268 . . . . 65.03 110.275 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -149.73 101.73 3.25 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 64.33 111.003 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 548' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 141.65 26.92 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.479 1.778 . . . . 74.21 111.001 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 549' ' ' VAL . . . . . 0.495 ' CG1' ' O ' ' A' ' 658' ' ' SER . 35.3 m -50.02 -45.68 23.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 75.42 109.287 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -53.97 -30.25 46.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 72.11 110.272 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 13.0 m170 -88.69 -26.89 21.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 74.42 109.557 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 552' ' ' VAL . . . . . 0.439 ' CG2' ' HB3' ' A' ' 657' ' ' PHE . 55.7 t -84.26 124.62 39.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 64.33 109.262 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 553' ' ' GLN . . . . . 0.515 ' OE1' ' CE1' ' A' ' 565' ' ' HIS . 7.7 tt0 -112.51 149.59 32.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 73.51 110.327 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 1.4 mt -93.28 113.63 25.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 74.44 109.289 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 555' ' ' LEU . . . . . 0.49 HD22 ' CA ' ' A' ' 562' ' ' ALA . 0.2 OUTLIER -134.54 -179.92 5.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 74.25 109.33 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 556' ' ' CYS . . . . . 0.548 ' O ' ' N ' ' A' ' 560' ' ' MET . 5.1 t -107.53 102.33 11.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 114.994 -1.003 . . . . 65.45 110.912 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 557' ' ' ILE . . . . . 0.48 ' C ' ' O ' ' A' ' 556' ' ' CYS . 1.2 pt -34.71 -34.46 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 74.15 109.311 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 558' ' ' ASN . . . . . 0.506 ' N ' ' O ' ' A' ' 556' ' ' CYS . 3.0 m120 -73.86 -62.31 1.54 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 64.32 109.28 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 559' ' ' CYS . . . . . 1.169 ' CB ' ' SG ' ' A' ' 615' ' ' CYS . 1.3 m -80.02 -68.33 0.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 62.11 108.308 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 560' ' ' MET . . . . . 0.548 ' N ' ' O ' ' A' ' 556' ' ' CYS . 23.2 mtm 78.07 47.94 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 73.24 111.009 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 561' ' ' VAL . . . . . 0.496 ' O ' ' CB ' ' A' ' 562' ' ' ALA . 0.9 OUTLIER -108.86 -2.86 10.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 73.25 109.309 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 562' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 561' ' ' VAL . . . 83.49 99.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 73.12 109.288 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 563' ' ' VAL . . . . . 0.435 HG12 ' CD1' ' A' ' 587' ' ' TYR . 2.6 m -97.41 -5.35 9.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 75.13 109.349 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . 178.84 -160.91 26.94 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.522 1.139 . . . . 63.42 110.995 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 565' ' ' HIS . . . . . 0.515 ' CE1' ' OE1' ' A' ' 553' ' ' GLN . 14.8 m-70 -125.72 147.73 49.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 0.782 . . . . 74.3 109.611 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 566' ' ' GLY . . . . . 0.454 ' O ' ' CD1' ' A' ' 569' ' ' LEU . . . -71.51 -13.09 74.1 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.556 1.16 . . . . 73.44 110.999 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 567' ' ' SER . . . . . 0.422 ' CB ' HG21 ' A' ' 549' ' ' VAL . 20.3 p -104.73 8.36 34.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 0.783 . . . . 65.41 110.0 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -110.17 -13.64 14.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 75.21 109.303 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 569' ' ' LEU . . . . . 0.474 ' CB ' ' HA ' ' A' ' 579' ' ' ASN . 0.2 OUTLIER -88.19 150.91 23.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 71.34 109.264 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 570' ' ' ARG . . . . . 0.483 ' C ' ' CG2' ' A' ' 659' ' ' VAL . 1.5 mpt_? -123.83 -175.1 3.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 75.31 110.294 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 571' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 662' ' ' PHE . 12.4 ttmt -124.34 158.1 33.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 73.45 109.267 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 2.8 t -130.47 104.36 9.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.128 . . . . 71.34 109.321 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 573' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 41.35 35.59 0.44 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 73.52 110.328 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 41.29 47.43 4.49 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.509 1.13 . . . . 75.41 111.013 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 575' ' ' THR . . . . . 0.433 ' O ' ' CG ' ' A' ' 576' ' ' HIS . 2.1 m -111.69 -44.36 3.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 0.787 . . . . 63.44 110.405 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 576' ' ' HIS . . . . . 0.433 ' CG ' ' O ' ' A' ' 575' ' ' THR . 29.8 m80 -159.22 121.09 3.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 74.23 109.606 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 577' ' ' HIS . . . . . 0.753 ' CD2' ' CE3' ' A' ' 652' ' ' TRP . 6.6 m80 -58.48 142.7 48.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 75.15 109.623 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 578' ' ' VAL . . . . . . . . . . . . . 23.7 m -143.83 108.6 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 65.23 109.315 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 579' ' ' ASN . . . . . 0.589 ' OD1' ' CE1' ' A' ' 584' ' ' PHE . 1.5 t-20 -80.38 109.07 14.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 73.23 109.284 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 580' ' ' VAL . . . . . 0.543 ' CG1' ' CD2' ' A' ' 630' ' ' LEU . 2.3 t -82.28 149.03 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 73.32 109.295 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 581' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 580' ' ' VAL . 0.3 OUTLIER 161.94 135.19 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 70.03 109.308 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 582' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -43.53 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.487 1.782 . . . . 70.22 110.966 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 583' ' ' ASN . . . . . 0.406 ' OD1' ' N ' ' A' ' 583' ' ' ASN . 0.8 OUTLIER -60.98 -15.31 30.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 75.34 109.326 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 584' ' ' PHE . . . . . 0.589 ' CE1' ' OD1' ' A' ' 579' ' ' ASN . 1.9 t80 -63.45 -34.55 78.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 73.43 111.021 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 585' ' ' SER . . . . . 0.493 ' HA ' ' CE2' ' A' ' 588' ' ' TYR . 13.7 p -57.7 -25.75 60.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 71.12 109.999 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 -87.62 -16.86 33.27 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 74.41 109.265 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 587' ' ' TYR . . . . . 0.435 ' CD1' HG12 ' A' ' 563' ' ' VAL . 5.4 m-85 -92.72 -3.06 55.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 75.44 110.994 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 588' ' ' TYR . . . . . 0.574 ' CD1' ' C ' ' A' ' 588' ' ' TYR . 1.7 p90 -155.78 160.13 40.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 74.32 111.022 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 589' ' ' ASN . . . . . 0.412 ' ND2' ' HB2' ' A' ' 613' ' ' ARG . 29.9 m-80 -128.97 124.28 34.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 74.22 109.3 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 590' ' ' VAL . . . . . 0.455 ' CG1' ' HA3' ' A' ' 608' ' ' GLY . 12.6 t -73.58 134.38 29.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 74.33 109.278 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 30.8 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 63.21 110.006 179.944 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 604' ' ' TRP . . . . . 0.482 ' CE3' ' HB3' ' A' ' 623' ' ' MET . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 108.057 -1.09 . . . . 74.43 108.057 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 605' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.93 162.84 19.86 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 74.22 109.281 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 606' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -178.22 4.01 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.454 1.765 . . . . 73.33 111.019 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 607' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 622' ' ' GLN . . . -142.24 -86.11 0.09 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.461 1.101 . . . . 73.11 111.018 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 608' ' ' GLY . . . . . 0.455 ' HA3' ' CG1' ' A' ' 590' ' ' VAL . . . -160.06 144.83 10.46 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.972 -0.851 . . . . 62.4 110.972 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 21.4 t -52.51 128.18 11.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.494 0.761 . . . . 64.5 109.327 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 610' ' ' ILE . . . . . 0.461 HG13 ' CA ' ' A' ' 621' ' ' LEU . 0.7 OUTLIER -95.73 144.49 10.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.141 . . . . 73.0 109.314 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.77 123.99 15.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 72.54 109.961 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 612' ' ' CYS . . . . . 0.463 ' O ' ' N ' ' A' ' 616' ' ' GLY . 28.2 t -56.25 109.25 0.57 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 65.12 108.312 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 613' ' ' ARG . . . . . 0.412 ' HB2' ' ND2' ' A' ' 589' ' ' ASN . 9.3 ttt180 -64.93 -32.6 74.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 74.41 110.288 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 614' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -57.79 -47.68 81.86 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 73.12 109.268 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 615' ' ' CYS . . . . . 1.169 ' SG ' ' CB ' ' A' ' 559' ' ' CYS . 1.9 m -118.37 -73.46 0.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 72.31 108.281 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 616' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 154.49 -20.86 0.62 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.483 1.114 . . . . 64.25 111.042 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -42.17 102.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 0.775 . . . . 64.22 110.267 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 41.4 t -53.77 120.98 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 74.22 109.288 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 619' ' ' TRP . . . . . 0.556 ' NE1' ' CE ' ' A' ' 638' ' ' MET . 48.7 m0 -78.95 -41.23 29.82 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.98 -1.119 . . . . 73.13 107.98 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 620' ' ' GLY . . . . . . . . . . . . . . . 158.41 -112.01 0.51 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.5 1.125 . . . . 65.1 110.999 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 621' ' ' LEU . . . . . 0.486 ' CD2' ' O ' ' A' ' 622' ' ' GLN . 0.0 OUTLIER -147.18 154.23 40.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 0.753 . . . . 75.52 109.239 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 622' ' ' GLN . . . . . 0.486 ' O ' ' CD2' ' A' ' 621' ' ' LEU . 1.1 tt0 -85.75 135.96 33.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 74.21 110.322 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 623' ' ' MET . . . . . 0.482 ' HB3' ' CE3' ' A' ' 604' ' ' TRP . 9.2 mmt -115.3 145.35 42.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 73.15 110.988 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 624' ' ' ILE . . . . . 0.415 ' CD1' ' N ' ' A' ' 624' ' ' ILE . 3.9 mp -114.89 141.01 33.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 73.43 109.26 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 625' ' ' TYR . . . . . 0.565 ' CE2' ' HG3' ' A' ' 626' ' ' LYS . 8.4 t80 -147.77 114.44 6.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 75.24 110.981 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 626' ' ' LYS . . . . . 0.565 ' HG3' ' CE2' ' A' ' 625' ' ' TYR . 0.0 OUTLIER 66.63 17.39 10.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 53.14 109.278 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 627' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.1 p 85.34 39.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.088 . . . . 75.41 110.031 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 628' ' ' VAL . . . . . 0.428 HG12 ' CD2' ' A' ' 630' ' ' LEU . 54.5 t -125.42 123.12 64.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.153 . . . . 74.15 109.324 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 629' ' ' LYS . . . . . 0.411 ' HE3' ' CG1' ' A' ' 624' ' ' ILE . 5.0 mmmm -75.46 99.61 4.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 73.02 109.286 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 630' ' ' LEU . . . . . 0.543 ' CD2' ' CG1' ' A' ' 580' ' ' VAL . 32.8 mt -119.68 111.65 35.95 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 72.32 109.289 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 631' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 135.9 19.79 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.532 1.806 . . . . 73.51 111.001 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 632' ' ' VAL . . . . . 0.462 HG22 ' CG ' ' A' ' 623' ' ' MET . 18.8 t -103.28 100.13 9.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 74.51 109.26 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 633' ' ' LEU . . . . . 0.556 ' CD1' ' N ' ' A' ' 633' ' ' LEU . 0.0 OUTLIER -101.73 171.6 7.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 74.43 109.309 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 634' ' ' LYS . . . . . 0.439 ' CD ' ' O ' ' A' ' 619' ' ' TRP . 2.8 mtpt -96.09 -176.77 3.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.138 . . . . 74.3 109.311 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 635' ' ' VAL . . . . . 0.52 ' HB ' ' CE2' ' A' ' 652' ' ' TRP . 7.5 p -107.16 -23.83 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 74.51 109.293 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 636' ' ' ARG . . . . . 0.413 ' N ' HG13 ' A' ' 635' ' ' VAL . 8.7 ptp180 -85.88 -4.32 59.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 72.23 110.293 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 4.4 m -109.8 -15.67 14.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 70.42 109.958 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 638' ' ' MET . . . . . 0.556 ' CE ' ' NE1' ' A' ' 619' ' ' TRP . 32.8 mmt -106.47 127.21 53.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 75.15 111.031 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 639' ' ' LEU . . . . . 0.46 ' CD2' ' HD2' ' A' ' 646' ' ' ARG . 8.6 tp -90.45 141.65 28.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 71.55 109.293 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 640' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -108.99 93.7 4.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 75.52 109.287 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . 0.44 ' CG ' HD12 ' A' ' 555' ' ' LEU . 7.0 mt-10 -73.57 120.93 19.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 73.45 110.292 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 642' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -131.69 159.76 70.49 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 74.52 110.404 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 1.69 7.48 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.442 1.759 . . . . 75.1 110.964 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 644' ' ' GLN . . . . . 0.437 ' NE2' ' O ' ' A' ' 546' ' ' GLN . 5.8 mt-30 -111.35 -4.7 14.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 71.34 110.309 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 123.79 144.16 6.44 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.496 1.122 . . . . 72.32 110.994 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 646' ' ' ARG . . . . . 0.46 ' HD2' ' CD2' ' A' ' 639' ' ' LEU . 51.7 mtm-85 -58.86 152.15 19.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 0.764 . . . . 72.34 110.278 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 647' ' ' ILE . . . . . . . . . . . . . 15.6 mt -137.28 127.23 37.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 75.53 109.308 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 648' ' ' GLN . . . . . 0.412 ' CG ' HG21 ' A' ' 557' ' ' ILE . 0.0 OUTLIER -120.82 95.38 4.69 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.143 . . . . 63.43 110.285 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 649' ' ' ALA . . . . . . . . . . . . . . . -88.73 176.08 7.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 73.33 109.261 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 26.2 mttm -111.53 -29.56 7.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 75.22 109.31 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -126.44 155.42 42.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.437 1.086 . . . . 74.3 109.298 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 652' ' ' TRP . . . . . 0.753 ' CE3' ' CD2' ' A' ' 577' ' ' HIS . 64.9 m95 -73.36 -6.88 49.03 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.967 -1.123 . . . . 74.22 107.967 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 28.8 t -73.0 -19.24 61.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 72.1 110.024 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 654' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 655' ' ' VAL . 3.2 mmm180 -101.57 -15.41 17.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 74.22 110.294 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 655' ' ' VAL . . . . . 0.575 HG13 ' CZ ' ' A' ' 657' ' ' PHE . 2.3 t -40.0 127.06 1.62 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.436 1.085 . . . . 75.31 109.266 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 656' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -50.85 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.451 1.764 . . . . 74.31 110.999 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 657' ' ' PHE . . . . . 0.575 ' CZ ' HG13 ' A' ' 655' ' ' VAL . 52.5 p90 -67.5 163.25 21.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 71.35 111.042 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 658' ' ' SER . . . . . 0.495 ' O ' ' CG1' ' A' ' 549' ' ' VAL . 0.7 OUTLIER -110.37 150.28 29.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 73.32 109.988 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 659' ' ' VAL . . . . . 0.485 HG13 ' CD2' ' A' ' 577' ' ' HIS . 0.1 OUTLIER -150.78 104.49 3.04 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 72.23 109.329 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 660' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 155.88 43.03 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.512 1.796 . . . . 73.14 111.01 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -42.52 161.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 74.15 109.313 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 662' ' ' PHE . . . . . 0.449 ' N ' ' O ' ' A' ' 571' ' ' LYS . 27.5 t80 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 72.0 110.988 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 546' ' ' GLN . . . . . 0.605 ' C ' ' CD1' ' A' ' 547' ' ' PHE . 10.0 mt-30 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.291 -0.263 . . . . 74.12 110.291 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 547' ' ' PHE . . . . . 0.645 ' CD1' ' N ' ' A' ' 547' ' ' PHE . 0.1 OUTLIER -153.12 98.67 2.75 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 73.43 110.984 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 548' ' ' PRO . . . . . 0.508 ' HG2' ' CG ' ' A' ' 551' ' ' HIS . 18.3 Cg_endo -74.97 140.81 25.99 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.482 1.78 . . . . 74.31 111.003 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 549' ' ' VAL . . . . . 0.403 HG22 ' N ' ' A' ' 550' ' ' GLU . 31.5 m -52.51 -46.75 48.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 73.25 109.3 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 550' ' ' GLU . . . . . 0.403 ' N ' HG22 ' A' ' 549' ' ' VAL . 2.4 pt-20 -54.21 -24.12 17.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 73.45 110.274 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 551' ' ' HIS . . . . . 0.508 ' CG ' ' HG2' ' A' ' 548' ' ' PRO . 35.7 m170 -99.54 -24.53 14.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.581 1.175 . . . . 73.11 109.592 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 552' ' ' VAL . . . . . . . . . . . . . 79.2 t -91.05 117.99 35.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 72.43 109.314 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -99.59 168.46 9.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 73.43 110.309 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 554' ' ' LEU . . . . . 0.582 ' CD1' ' ND2' ' A' ' 579' ' ' ASN . 1.9 mt -108.26 108.56 19.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 71.34 109.284 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 555' ' ' LEU . . . . . 0.597 ' CD1' ' N ' ' A' ' 555' ' ' LEU . 0.1 OUTLIER -121.87 174.34 6.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 75.35 109.295 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 556' ' ' CYS . . . . . 0.565 ' O ' ' N ' ' A' ' 560' ' ' MET . 3.8 t -107.46 108.57 19.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 114.992 -1.004 . . . . 72.51 110.95 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 557' ' ' ILE . . . . . 0.492 HG21 ' CG ' ' A' ' 648' ' ' GLN . 0.7 OUTLIER -35.23 -32.64 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 73.11 109.306 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 558' ' ' ASN . . . . . 0.527 ' N ' ' O ' ' A' ' 556' ' ' CYS . 4.4 m-20 -84.93 -67.06 0.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 75.13 109.309 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 559' ' ' CYS . . . . . 1.151 ' CB ' ' SG ' ' A' ' 615' ' ' CYS . 4.1 m -64.08 -64.52 0.87 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 74.14 108.298 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 560' ' ' MET . . . . . 0.565 ' N ' ' O ' ' A' ' 556' ' ' CYS . 10.6 mtm 68.63 42.06 1.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 73.03 110.953 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 561' ' ' VAL . . . . . 0.405 HG23 ' ND2' ' A' ' 614' ' ' ASN . 0.9 OUTLIER -116.56 10.96 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 74.02 109.334 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 562' ' ' ALA . . . . . 0.439 ' HA ' ' HG ' ' A' ' 555' ' ' LEU . . . 66.11 109.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 74.13 109.285 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 563' ' ' VAL . . . . . 0.513 HG12 ' CD1' ' A' ' 587' ' ' TYR . 0.8 OUTLIER -103.34 -12.03 9.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 74.53 109.288 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -167.17 -142.25 3.39 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.5 1.125 . . . . 65.22 110.991 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 565' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -150.8 155.19 38.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 0.748 . . . . 74.2 109.606 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . -74.39 -12.43 82.11 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.531 1.144 . . . . 71.35 111.024 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 3.1 p -108.61 12.75 25.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 0.731 . . . . 72.5 110.004 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -112.59 -32.33 6.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 71.3 109.295 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 569' ' ' LEU . . . . . 0.513 ' C ' ' CD1' ' A' ' 569' ' ' LEU . 0.1 OUTLIER -76.92 170.39 16.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 70.01 109.292 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 570' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -146.66 -175.34 4.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 73.45 110.301 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 571' ' ' LYS . . . . . 0.55 ' HD3' ' CE1' ' A' ' 577' ' ' HIS . 19.7 ttpt -126.75 158.64 35.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.127 . . . . 74.22 109.263 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 572' ' ' VAL . . . . . 0.515 ' CG2' ' CG2' ' A' ' 578' ' ' VAL . 2.4 t -121.35 111.16 30.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.163 . . . . 64.13 109.287 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 573' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 40.12 37.74 0.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 75.24 110.274 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 41.59 47.93 4.84 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.511 1.132 . . . . 74.51 110.978 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 2.7 m -119.21 -49.74 2.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 0.757 . . . . 64.54 110.409 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 23.1 m80 -146.47 106.15 3.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 75.34 109.615 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 577' ' ' HIS . . . . . 0.55 ' CE1' ' HD3' ' A' ' 571' ' ' LYS . 29.8 m-70 -46.41 126.72 8.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 75.21 109.556 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 578' ' ' VAL . . . . . 0.515 ' CG2' ' CG2' ' A' ' 572' ' ' VAL . 2.5 m -125.45 123.53 65.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 74.22 109.333 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 579' ' ' ASN . . . . . 0.582 ' ND2' ' CD1' ' A' ' 554' ' ' LEU . 0.9 OUTLIER -93.82 128.14 39.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 75.23 109.262 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 580' ' ' VAL . . . . . 0.405 ' O ' ' CG ' ' A' ' 581' ' ' ASN . 2.4 t -104.64 134.15 46.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 73.42 109.322 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 581' ' ' ASN . . . . . 0.469 ' CB ' ' HB2' ' A' ' 584' ' ' PHE . 2.1 m120 176.38 130.05 0.17 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.463 1.102 . . . . 74.32 109.318 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 582' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -36.21 2.65 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.465 1.771 . . . . 74.54 110.983 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 583' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -75.96 -2.5 30.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 71.21 109.328 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 584' ' ' PHE . . . . . 0.579 ' O ' ' CD2' ' A' ' 588' ' ' TYR . 3.4 t80 -71.9 -31.96 66.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 73.13 111.026 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 585' ' ' SER . . . . . 0.553 ' HA ' ' CE2' ' A' ' 588' ' ' TYR . 10.2 p -59.71 -21.4 60.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 73.42 109.953 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -87.39 -16.88 33.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 73.14 109.303 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 587' ' ' TYR . . . . . 0.513 ' CD1' HG12 ' A' ' 563' ' ' VAL . 10.4 m-85 -96.08 6.39 48.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 75.45 110.961 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 588' ' ' TYR . . . . . 0.579 ' CD2' ' O ' ' A' ' 584' ' ' PHE . 2.0 p90 -165.53 157.6 14.94 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.457 1.098 . . . . 72.33 111.054 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 589' ' ' ASN . . . . . . . . . . . . . 26.9 m-80 -127.86 122.37 32.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 75.35 109.277 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 590' ' ' VAL . . . . . 0.464 ' CG1' ' HA3' ' A' ' 608' ' ' GLY . 16.4 t -74.71 133.57 31.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 73.12 109.306 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 13.0 t . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 75.12 109.945 -179.995 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 604' ' ' TRP . . . . . 0.555 ' CE3' ' HB3' ' A' ' 623' ' ' MET . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 108.01 -1.108 . . . . 74.33 108.01 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 605' ' ' LYS . . . . . . . . . . . . . 16.2 pttt -117.0 165.65 14.9 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 72.2 109.319 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 606' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 165.71 30.78 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.508 1.793 . . . . 73.31 110.998 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 607' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 622' ' ' GLN . . . -130.66 -101.78 0.92 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.498 1.124 . . . . 71.44 110.99 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 608' ' ' GLY . . . . . 0.464 ' HA3' ' CG1' ' A' ' 590' ' ' VAL . . . -146.73 146.49 16.48 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.94 -0.864 . . . . 74.31 110.94 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 37.2 t -55.08 124.61 8.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 0.764 . . . . 72.21 109.266 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 610' ' ' ILE . . . . . 0.472 HG13 ' CA ' ' A' ' 621' ' ' LEU . 0.7 OUTLIER -92.59 143.79 10.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 73.12 109.3 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.83 120.7 8.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 70.52 109.987 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 612' ' ' CYS . . . . . 0.503 ' HB2' ' CE2' ' A' ' 619' ' ' TRP . 37.8 t -47.84 121.1 3.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 73.33 108.297 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 8.3 ttt-85 -70.27 -27.82 64.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 75.42 110.312 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 614' ' ' ASN . . . . . 0.405 ' ND2' HG23 ' A' ' 561' ' ' VAL . 81.0 m-20 -66.42 -38.15 86.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 74.45 109.316 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 615' ' ' CYS . . . . . 1.151 ' SG ' ' CB ' ' A' ' 559' ' ' CYS . 0.0 OUTLIER -122.14 -76.05 0.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 74.05 108.294 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 616' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 148.46 -17.0 1.29 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.504 1.128 . . . . 54.03 111.047 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -42.09 102.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 0.748 . . . . 72.53 110.323 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 618' ' ' VAL . . . . . 0.446 ' O ' ' NZ ' ' A' ' 634' ' ' LYS . 25.0 t -53.98 103.42 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 63.14 109.298 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 619' ' ' TRP . . . . . 0.539 ' CZ2' ' HE1' ' A' ' 638' ' ' MET . 37.0 m0 -62.5 -49.62 74.65 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.021 -1.103 . . . . 74.41 108.021 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 620' ' ' GLY . . . . . . . . . . . . . . . 174.56 -111.9 0.38 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.532 1.145 . . . . 65.35 110.947 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 621' ' ' LEU . . . . . 0.476 ' C ' ' CD2' ' A' ' 621' ' ' LEU . 0.0 OUTLIER -150.61 155.0 38.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 0.776 . . . . 75.33 109.253 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 622' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 607' ' ' GLY . 0.9 OUTLIER -87.53 132.75 33.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 74.44 110.283 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 623' ' ' MET . . . . . 0.555 ' HB3' ' CE3' ' A' ' 604' ' ' TRP . 10.1 mmt -109.28 141.39 41.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 74.13 110.97 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 624' ' ' ILE . . . . . 0.405 ' N ' HD11 ' A' ' 624' ' ' ILE . 4.4 mp -115.08 117.34 55.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 73.13 109.3 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 625' ' ' TYR . . . . . 0.599 ' C ' ' CD1' ' A' ' 625' ' ' TYR . 0.1 OUTLIER -113.09 115.42 28.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 73.13 111.029 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 626' ' ' LYS . . . . . 0.505 ' HE2' ' CA ' ' A' ' 626' ' ' LYS . 0.8 OUTLIER 60.35 22.41 11.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 74.55 109.292 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 627' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.2 p 84.29 42.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 71.41 109.993 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 628' ' ' VAL . . . . . 0.438 HG13 ' CD1' ' A' ' 630' ' ' LEU . 53.4 t -126.38 112.7 30.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 74.44 109.315 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 6.0 mmmm -62.4 98.23 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 73.13 109.296 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 630' ' ' LEU . . . . . 0.438 ' CD1' HG13 ' A' ' 628' ' ' VAL . 96.4 mt -125.82 112.09 24.82 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 74.32 109.28 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 631' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 162.18 37.6 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.473 1.775 . . . . 65.03 110.971 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 632' ' ' VAL . . . . . 0.444 HG21 ' CG1' ' A' ' 578' ' ' VAL . 21.7 t -134.78 102.34 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 75.41 109.32 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 633' ' ' LEU . . . . . 0.509 ' CD1' ' N ' ' A' ' 633' ' ' LEU . 0.1 OUTLIER -98.44 171.86 7.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 73.52 109.315 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 634' ' ' LYS . . . . . 0.446 ' NZ ' ' O ' ' A' ' 618' ' ' VAL . 2.9 mtmm -105.4 -172.99 2.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 74.33 109.29 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 635' ' ' VAL . . . . . 0.513 ' HB ' ' CE2' ' A' ' 652' ' ' TRP . 7.0 p -109.19 -12.97 10.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 74.14 109.302 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 636' ' ' ARG . . . . . 0.428 ' O ' ' NE2' ' A' ' 648' ' ' GLN . 0.2 OUTLIER -80.71 -35.73 33.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 75.43 110.288 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 1.3 t -89.79 -7.9 53.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.579 1.174 . . . . 73.15 110.037 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 638' ' ' MET . . . . . 0.539 ' HE1' ' CZ2' ' A' ' 619' ' ' TRP . 32.9 mmt -109.96 124.72 51.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 71.11 111.018 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 639' ' ' LEU . . . . . 0.466 ' CD2' ' HG2' ' A' ' 646' ' ' ARG . 0.6 OUTLIER -100.04 142.67 31.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 74.14 109.307 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 640' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -106.68 119.12 38.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 74.24 109.324 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -90.3 128.56 36.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 75.42 110.318 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 642' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -140.29 160.41 59.91 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 55.51 110.346 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 1.94 7.18 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.454 1.765 . . . . 75.11 110.995 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 644' ' ' GLN . . . . . 0.589 ' NE2' ' CE2' ' A' ' 547' ' ' PHE . 24.5 mt-30 -107.44 -9.48 15.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 75.44 110.277 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 125.16 143.69 6.12 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.456 1.098 . . . . 74.21 111.007 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 646' ' ' ARG . . . . . 0.466 ' HG2' ' CD2' ' A' ' 639' ' ' LEU . 51.3 mtm180 -50.74 150.6 2.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 0.787 . . . . 74.34 110.328 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 647' ' ' ILE . . . . . . . . . . . . . 51.2 mt -136.71 120.21 22.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 75.34 109.308 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 648' ' ' GLN . . . . . 0.492 ' CG ' HG21 ' A' ' 557' ' ' ILE . 0.9 OUTLIER -120.48 110.62 16.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 73.42 110.335 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 649' ' ' ALA . . . . . . . . . . . . . . . -120.63 154.36 35.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.089 . . . . 31.54 109.28 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 8.9 mttp -98.71 9.02 44.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 72.1 109.307 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 651' ' ' LYS . . . . . 0.43 ' N ' HG13 ' A' ' 635' ' ' VAL . 0.9 OUTLIER -145.79 138.85 26.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 74.24 109.258 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 652' ' ' TRP . . . . . 0.513 ' CE2' ' HB ' ' A' ' 635' ' ' VAL . 42.0 m95 -70.79 -9.25 57.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 73.21 107.994 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 42.3 m -65.87 -10.49 38.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 73.03 109.962 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 654' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 655' ' ' VAL . 5.1 mmt180 -106.77 -23.33 12.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 74.32 110.273 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 655' ' ' VAL . . . . . 0.565 HG12 ' CZ ' ' A' ' 657' ' ' PHE . 2.6 t -40.24 117.38 1.33 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 62.34 109.28 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 656' ' ' PRO . . . . . 0.505 ' HB2' ' CG ' ' A' ' 547' ' ' PHE . 18.5 Cg_endo -74.9 -42.44 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.501 1.79 . . . . 74.43 111.006 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 657' ' ' PHE . . . . . 0.565 ' CZ ' HG12 ' A' ' 655' ' ' VAL . 37.7 p90 -69.52 155.31 40.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 72.11 110.965 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.69 146.03 27.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 74.11 109.976 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 659' ' ' VAL . . . . . 0.545 HG22 ' CE1' ' A' ' 657' ' ' PHE . 2.0 t -126.53 100.53 28.64 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 72.55 109.303 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 660' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 147.36 34.04 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.451 1.764 . . . . 75.4 111.014 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -70.1 169.38 13.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 75.33 109.317 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 662' ' ' PHE . . . . . 0.442 ' N ' ' O ' ' A' ' 571' ' ' LYS . 35.2 t80 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.1 . . . . 74.32 110.98 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 546' ' ' GLN . . . . . 0.522 ' C ' ' CD1' ' A' ' 547' ' ' PHE . 2.8 pt20 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 110.309 -0.256 . . . . 73.32 110.309 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 547' ' ' PHE . . . . . 0.582 ' CD1' ' N ' ' A' ' 547' ' ' PHE . 0.7 OUTLIER -145.56 103.03 4.27 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 74.3 110.96 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 548' ' ' PRO . . . . . 0.454 ' HB2' ' CG ' ' A' ' 550' ' ' GLU . 18.3 Cg_endo -75.03 141.05 26.07 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.444 1.76 . . . . 74.1 110.99 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 549' ' ' VAL . . . . . 0.409 HG23 ' N ' ' A' ' 550' ' ' GLU . 31.2 m -49.16 -42.57 15.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 74.14 109.305 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 550' ' ' GLU . . . . . 0.454 ' CG ' ' HB2' ' A' ' 548' ' ' PRO . 2.9 pt-20 -54.35 -33.88 59.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 74.52 110.272 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -82.49 -26.73 32.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 74.14 109.596 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 552' ' ' VAL . . . . . . . . . . . . . 45.9 t -87.42 121.49 38.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 73.33 109.303 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -110.85 145.03 38.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 72.24 110.278 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 1.3 mt -86.08 113.18 21.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 75.45 109.277 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 555' ' ' LEU . . . . . 0.476 HD23 ' CB ' ' A' ' 562' ' ' ALA . 0.2 OUTLIER -133.81 -179.85 5.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 74.51 109.265 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 556' ' ' CYS . . . . . 0.548 ' O ' ' N ' ' A' ' 560' ' ' MET . 5.1 t -107.26 102.49 11.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.008 -0.996 . . . . 52.23 110.895 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 557' ' ' ILE . . . . . 0.473 HG21 ' CG ' ' A' ' 648' ' ' GLN . 1.2 pt -35.62 -33.37 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 72.44 109.298 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 558' ' ' ASN . . . . . 0.501 ' N ' ' O ' ' A' ' 556' ' ' CYS . 2.9 m120 -76.38 -62.56 1.58 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 71.44 109.336 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 559' ' ' CYS . . . . . 1.123 ' CB ' ' SG ' ' A' ' 615' ' ' CYS . 11.6 m -76.04 -67.94 0.63 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.521 1.138 . . . . 64.15 108.278 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 560' ' ' MET . . . . . 0.548 ' N ' ' O ' ' A' ' 556' ' ' CYS . 24.9 mtm 76.57 48.55 0.07 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.474 1.109 . . . . 73.12 111.032 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 561' ' ' VAL . . . . . 0.492 ' O ' ' CB ' ' A' ' 562' ' ' ALA . 1.0 OUTLIER -113.59 -2.71 10.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 71.42 109.264 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 562' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 561' ' ' VAL . . . 83.39 108.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.145 . . . . 64.31 109.249 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 563' ' ' VAL . . . . . 0.549 HG12 ' CD1' ' A' ' 587' ' ' TYR . 1.6 m -105.92 -8.24 10.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 71.21 109.28 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -178.29 -159.93 23.73 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.494 1.121 . . . . 63.4 110.995 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 565' ' ' HIS . . . . . . . . . . . . . 70.7 m80 -126.97 145.21 50.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.537 0.786 . . . . 74.42 109.57 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . -75.8 0.54 61.42 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.498 1.124 . . . . 71.42 111.008 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 567' ' ' SER . . . . . 0.405 ' CB ' HG23 ' A' ' 549' ' ' VAL . 24.9 p -118.79 8.24 11.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 0.759 . . . . 75.22 110.011 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -111.96 -17.01 12.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 74.42 109.276 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 569' ' ' LEU . . . . . 0.484 ' C ' ' CD1' ' A' ' 569' ' ' LEU . 0.1 OUTLIER -87.51 163.84 16.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 75.02 109.284 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 570' ' ' ARG . . . . . 0.414 ' CD ' ' HA ' ' A' ' 662' ' ' PHE . 48.7 mtt-85 -147.19 177.63 9.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 72.55 110.282 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 571' ' ' LYS . . . . . 0.57 ' HD3' ' CE1' ' A' ' 577' ' ' HIS . 20.9 mtmt -108.1 119.87 40.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 73.51 109.263 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 572' ' ' VAL . . . . . 0.453 ' CG2' HG21 ' A' ' 578' ' ' VAL . 2.5 t -77.97 114.94 19.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 75.25 109.255 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 573' ' ' GLU . . . . . 0.446 ' CG ' ' O ' ' A' ' 572' ' ' VAL . 13.1 pt-20 45.69 34.6 1.82 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 73.42 110.341 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 46.02 41.36 10.78 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.518 1.136 . . . . 72.11 110.978 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 1.8 m -108.64 -53.97 2.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 0.736 . . . . 73.13 110.402 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 24.7 m170 -147.54 144.31 28.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 65.32 109.602 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 577' ' ' HIS . . . . . 0.726 ' CG ' ' CE3' ' A' ' 652' ' ' TRP . 16.3 m-70 -70.86 128.57 36.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 74.31 109.6 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 578' ' ' VAL . . . . . 0.453 HG21 ' CG2' ' A' ' 572' ' ' VAL . 15.6 m -137.11 128.05 40.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 70.24 109.275 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 579' ' ' ASN . . . . . 0.461 ' HA ' ' CB ' ' A' ' 569' ' ' LEU . 2.3 t-20 -91.83 125.39 36.52 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 75.15 109.302 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 580' ' ' VAL . . . . . . . . . . . . . 2.5 t -100.08 129.74 50.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 73.41 109.299 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 581' ' ' ASN . . . . . 0.428 ' ND2' ' HD2' ' A' ' 582' ' ' PRO . 3.7 t30 176.25 141.85 0.22 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 75.12 109.305 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 582' ' ' PRO . . . . . 0.428 ' HD2' ' ND2' ' A' ' 581' ' ' ASN . 18.3 Cg_endo -75.02 -42.49 0.5 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.466 1.771 . . . . 64.43 111.015 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 583' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -58.88 -16.66 18.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 74.31 109.29 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 584' ' ' PHE . . . . . 0.491 ' O ' ' CD2' ' A' ' 588' ' ' TYR . 1.6 t80 -63.51 -33.49 75.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.111 . . . . 75.3 110.955 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 47.8 t -60.11 -28.66 68.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 74.44 109.966 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -87.04 -7.6 57.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 64.43 109.299 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 587' ' ' TYR . . . . . 0.549 ' CD1' HG12 ' A' ' 563' ' ' VAL . 2.4 m-85 -102.01 0.43 35.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 73.33 110.977 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 588' ' ' TYR . . . . . 0.595 ' CD1' ' C ' ' A' ' 588' ' ' TYR . 0.9 OUTLIER -162.09 158.55 24.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 75.31 111.048 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 589' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -132.76 117.59 18.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 74.34 109.297 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 12.9 t -72.57 141.65 16.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.127 . . . . 75.43 109.31 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 8.9 t . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 72.32 109.962 -179.957 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 604' ' ' TRP . . . . . 0.575 ' CE3' ' HB3' ' A' ' 623' ' ' MET . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 108.024 -1.102 . . . . 74.02 108.024 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 605' ' ' LYS . . . . . . . . . . . . . 14.9 ptmt -105.45 156.08 36.93 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 74.24 109.351 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 606' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 175.0 11.82 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.465 1.771 . . . . 74.14 110.967 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 607' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 622' ' ' GLN . . . -136.97 -95.87 0.42 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.474 1.109 . . . . 62.33 110.988 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 608' ' ' GLY . . . . . . . . . . . . . . . -158.34 147.71 15.88 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 111.023 -0.831 . . . . 72.15 111.023 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 47.4 t -56.91 123.59 8.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.447 0.734 . . . . 74.34 109.303 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 610' ' ' ILE . . . . . 0.466 HG13 ' CA ' ' A' ' 621' ' ' LEU . 0.9 OUTLIER -91.2 144.67 8.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 73.54 109.318 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.31 133.55 33.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 73.12 109.983 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 612' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 616' ' ' GLY . 21.8 t -60.43 116.28 4.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 75.53 108.268 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 12.5 ttt180 -71.25 -25.22 62.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 74.34 110.323 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 614' ' ' ASN . . . . . 0.408 ' ND2' HG21 ' A' ' 561' ' ' VAL . 95.8 m-20 -67.38 -32.31 73.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 71.34 109.253 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 615' ' ' CYS . . . . . 1.123 ' SG ' ' CB ' ' A' ' 559' ' ' CYS . 0.8 OUTLIER -133.96 -73.76 0.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 72.34 108.266 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 616' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 153.58 -20.81 0.71 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.483 1.114 . . . . 75.03 110.986 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -42.27 104.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 0.79 . . . . 65.21 110.289 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 98.4 t -54.4 131.32 16.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 60.24 109.26 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 619' ' ' TRP . . . . . 0.6 ' CE2' ' CE ' ' A' ' 638' ' ' MET . 50.7 m0 -90.71 -53.26 4.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 74.54 108.0 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 620' ' ' GLY . . . . . . . . . . . . . . . 179.54 -107.44 0.22 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.548 1.155 . . . . 64.25 110.981 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 621' ' ' LEU . . . . . 0.536 ' C ' ' CD2' ' A' ' 621' ' ' LEU . 0.0 OUTLIER -157.34 161.38 39.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 0.761 . . . . 72.51 109.275 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 622' ' ' GLN . . . . . 0.416 ' O ' ' N ' ' A' ' 607' ' ' GLY . 0.1 OUTLIER -89.54 137.67 32.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 72.53 110.345 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 623' ' ' MET . . . . . 0.575 ' HB3' ' CE3' ' A' ' 604' ' ' TRP . 4.4 mmt -124.77 132.4 53.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 55.42 110.996 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 624' ' ' ILE . . . . . . . . . . . . . 5.4 mp -103.12 145.49 12.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 73.52 109.293 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 625' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -153.79 107.84 3.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 75.03 111.007 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 626' ' ' LYS . . . . . 0.499 ' O ' ' CB ' ' A' ' 627' ' ' SER . 1.2 mmpt? 69.73 18.89 7.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.145 . . . . 64.3 109.31 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 627' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.2 p 85.66 40.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 74.21 109.993 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 628' ' ' VAL . . . . . 0.448 HG13 ' CG ' ' A' ' 630' ' ' LEU . 47.3 t -129.68 113.12 26.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 74.22 109.256 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm -72.37 99.38 2.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 75.21 109.298 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 630' ' ' LEU . . . . . 0.448 ' CG ' HG13 ' A' ' 628' ' ' VAL . 17.4 mt -114.62 111.85 45.97 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 74.45 109.307 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 631' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 137.34 21.68 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.506 1.793 . . . . 74.31 111.012 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 632' ' ' VAL . . . . . 0.43 ' HA ' ' CG1' ' A' ' 578' ' ' VAL . 57.8 t -99.96 98.37 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 74.21 109.294 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 633' ' ' LEU . . . . . 0.502 ' CD1' ' N ' ' A' ' 633' ' ' LEU . 0.1 OUTLIER -99.42 171.75 7.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 74.31 109.31 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 634' ' ' LYS . . . . . 0.488 ' NZ ' ' NE ' ' A' ' 636' ' ' ARG . 0.5 OUTLIER -114.37 -170.87 1.81 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 73.41 109.269 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 635' ' ' VAL . . . . . 0.512 HG13 ' CE2' ' A' ' 652' ' ' TRP . 0.2 OUTLIER -106.24 -44.1 7.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.429 1.08 . . . . 74.12 109.298 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 636' ' ' ARG . . . . . 0.488 ' NE ' ' NZ ' ' A' ' 634' ' ' LYS . 3.3 ptt180 -62.84 -12.39 24.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 71.22 110.327 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 1.9 t -106.87 -17.58 14.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 75.42 110.001 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 638' ' ' MET . . . . . 0.6 ' CE ' ' CE2' ' A' ' 619' ' ' TRP . 34.4 mmt -106.99 134.24 50.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.148 . . . . 71.43 110.981 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 639' ' ' LEU . . . . . 0.411 HD21 ' NE ' ' A' ' 646' ' ' ARG . 12.1 tp -96.46 138.67 33.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 75.43 109.367 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 640' ' ' LEU . . . . . 0.525 HD22 ' CE2' ' A' ' 657' ' ' PHE . 20.4 mt -107.65 91.68 3.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.132 . . . . 75.42 109.319 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . 0.44 ' HB2' ' CD1' ' A' ' 555' ' ' LEU . 6.2 mt-10 -74.07 122.83 23.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 75.1 110.285 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 642' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -133.93 159.65 71.61 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 73.2 110.434 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 1.2 8.03 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.503 1.791 . . . . 75.51 111.027 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 644' ' ' GLN . . . . . 0.43 ' NE2' ' O ' ' A' ' 546' ' ' GLN . 13.2 mt-30 -111.05 -1.98 16.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 73.44 110.337 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 120.96 136.51 5.1 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.539 1.15 . . . . 72.21 110.999 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 646' ' ' ARG . . . . . 0.411 ' NE ' HD21 ' A' ' 639' ' ' LEU . 7.4 mtp180 -53.37 148.0 9.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 0.767 . . . . 73.32 110.289 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 647' ' ' ILE . . . . . . . . . . . . . 12.6 mt -136.42 121.43 26.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 74.24 109.324 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 648' ' ' GLN . . . . . 0.473 ' CG ' HG21 ' A' ' 557' ' ' ILE . 0.8 OUTLIER -114.75 110.1 19.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 75.45 110.281 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 649' ' ' ALA . . . . . . . . . . . . . . . -114.94 162.15 17.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 72.33 109.323 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 650' ' ' LYS . . . . . 0.455 ' C ' ' CG2' ' A' ' 635' ' ' VAL . 22.1 mttp -111.09 -14.06 13.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 64.34 109.331 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 651' ' ' LYS . . . . . 0.458 ' CB ' ' NH1' ' A' ' 654' ' ' ARG . 20.9 mmmt -121.88 128.38 51.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 74.32 109.292 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 652' ' ' TRP . . . . . 0.726 ' CE3' ' CG ' ' A' ' 577' ' ' HIS . 59.5 m95 -65.29 -19.91 66.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 72.31 108.03 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 2.7 t -66.48 -16.57 64.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 73.14 109.991 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 654' ' ' ARG . . . . . 0.458 ' NH1' ' CB ' ' A' ' 651' ' ' LYS . 10.0 mmt-85 -103.09 -25.31 13.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 73.34 110.287 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 655' ' ' VAL . . . . . 0.578 HG12 ' CD2' ' A' ' 657' ' ' PHE . 2.1 t -40.08 133.05 1.51 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 73.52 109.325 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 656' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -55.17 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.508 1.794 . . . . 74.24 111.007 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 657' ' ' PHE . . . . . 0.578 ' CD2' HG12 ' A' ' 655' ' ' VAL . 20.5 p90 -60.5 148.62 37.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 74.23 110.98 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.95 147.76 27.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 73.4 110.028 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 659' ' ' VAL . . . . . 0.52 HG21 ' CE1' ' A' ' 657' ' ' PHE . 1.5 t -125.59 103.55 28.36 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 71.53 109.261 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 660' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 147.01 33.38 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.506 1.792 . . . . 74.4 111.039 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -69.26 140.83 54.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 74.13 109.289 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 662' ' ' PHE . . . . . 0.444 ' CD1' ' C ' ' A' ' 662' ' ' PHE . 5.2 t80 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 73.54 111.005 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 546' ' ' GLN . . . . . 0.543 ' C ' ' CD1' ' A' ' 547' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.346 -0.242 . . . . 72.41 110.346 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 547' ' ' PHE . . . . . 0.543 ' CD1' ' C ' ' A' ' 546' ' ' GLN . 2.4 m-85 -151.66 103.4 2.88 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 75.21 111.001 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 548' ' ' PRO . . . . . 0.441 ' HB2' ' CG ' ' A' ' 550' ' ' GLU . 18.2 Cg_endo -75.04 139.24 23.95 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.462 1.769 . . . . 72.42 110.958 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 29.0 m -49.07 -41.93 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 73.24 109.344 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 550' ' ' GLU . . . . . 0.441 ' CG ' ' HB2' ' A' ' 548' ' ' PRO . 1.7 pt-20 -54.51 -34.39 61.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 72.13 110.253 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -83.86 -19.26 35.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 75.42 109.626 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 552' ' ' VAL . . . . . 0.465 HG13 ' CD2' ' A' ' 657' ' ' PHE . 41.3 t -93.46 129.77 43.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 74.1 109.323 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 553' ' ' GLN . . . . . 0.477 ' O ' ' CD1' ' A' ' 555' ' ' LEU . 12.8 tt0 -119.15 140.89 49.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 71.41 110.295 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -82.56 112.28 19.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 72.33 109.336 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 555' ' ' LEU . . . . . 0.5 HD21 ' CA ' ' A' ' 562' ' ' ALA . 0.3 OUTLIER -133.07 179.77 5.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 70.13 109.266 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 556' ' ' CYS . . . . . 0.533 ' O ' ' N ' ' A' ' 560' ' ' MET . 5.1 t -104.57 101.63 11.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 114.983 -1.008 . . . . 72.53 110.963 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 557' ' ' ILE . . . . . 0.512 ' C ' ' O ' ' A' ' 556' ' ' CYS . 1.5 pt -31.94 -37.95 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 74.25 109.27 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 558' ' ' ASN . . . . . 0.518 ' N ' ' O ' ' A' ' 556' ' ' CYS . 2.7 m120 -74.95 -62.04 1.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 75.45 109.261 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 559' ' ' CYS . . . . . 1.055 ' CB ' ' SG ' ' A' ' 615' ' ' CYS . 3.2 m -73.97 -70.74 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 74.42 108.338 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 560' ' ' MET . . . . . 0.533 ' N ' ' O ' ' A' ' 556' ' ' CYS . 28.5 mtm 77.47 41.63 0.14 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 72.23 111.022 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 561' ' ' VAL . . . . . 0.532 ' CG2' ' ND2' ' A' ' 614' ' ' ASN . 1.0 OUTLIER -105.8 -2.16 9.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 64.41 109.276 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 562' ' ' ALA . . . . . 0.512 ' CB ' ' O ' ' A' ' 561' ' ' VAL . . . 84.46 102.96 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 75.34 109.293 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 563' ' ' VAL . . . . . 0.44 HG13 ' CD1' ' A' ' 587' ' ' TYR . 0.9 OUTLIER -102.91 -6.4 9.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 73.04 109.298 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -177.45 -162.07 27.02 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.447 1.092 . . . . 75.31 111.011 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 565' ' ' HIS . . . . . . . . . . . . . 14.5 m-70 -126.41 148.64 49.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 0.765 . . . . 71.11 109.632 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . -73.21 -10.35 78.26 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.51 1.131 . . . . 74.55 110.983 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -113.83 8.93 17.49 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.485 0.756 . . . . 55.34 109.986 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -106.43 -18.41 13.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 74.14 109.317 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 569' ' ' LEU . . . . . 0.485 ' C ' ' CD1' ' A' ' 569' ' ' LEU . 0.1 OUTLIER -90.42 164.2 14.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 73.01 109.356 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 570' ' ' ARG . . . . . 0.473 ' CB ' ' HA ' ' A' ' 662' ' ' PHE . 13.7 mmt180 -142.29 -172.94 3.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 71.31 110.288 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 571' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 660' ' ' PRO . 17.0 ttmt -116.93 118.81 33.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 75.35 109.34 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 572' ' ' VAL . . . . . 0.509 ' CG2' ' CG2' ' A' ' 578' ' ' VAL . 2.4 t -77.78 112.73 16.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 71.01 109.251 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 573' ' ' GLU . . . . . 0.487 ' CG ' ' O ' ' A' ' 572' ' ' VAL . 9.8 pt-20 46.52 34.01 2.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 72.32 110.332 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 44.49 39.63 5.88 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.5 1.125 . . . . 63.34 110.995 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 575' ' ' THR . . . . . 0.406 ' CB ' ' HG3' ' A' ' 573' ' ' GLU . 11.1 m -109.9 -50.64 2.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 0.745 . . . . 74.54 110.411 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 33.8 m80 -149.38 131.62 15.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 74.34 109.612 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 577' ' ' HIS . . . . . 0.712 ' CD2' ' CD2' ' A' ' 652' ' ' TRP . 11.1 m-70 -57.71 143.36 42.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 73.15 109.618 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 578' ' ' VAL . . . . . 0.509 ' CG2' ' CG2' ' A' ' 572' ' ' VAL . 15.6 m -149.67 130.98 4.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 73.31 109.324 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 579' ' ' ASN . . . . . 0.461 ' HA ' ' CB ' ' A' ' 569' ' ' LEU . 6.8 t-20 -95.44 129.61 42.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 64.41 109.34 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 580' ' ' VAL . . . . . 0.438 HG13 ' CD2' ' A' ' 630' ' ' LEU . 2.5 t -107.68 130.3 60.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 75.43 109.283 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 581' ' ' ASN . . . . . 0.431 ' ND2' ' HD2' ' A' ' 582' ' ' PRO . 4.3 t30 176.29 142.66 0.23 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 71.2 109.32 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 582' ' ' PRO . . . . . 0.431 ' HD2' ' ND2' ' A' ' 581' ' ' ASN . 18.2 Cg_endo -75.04 -42.52 0.49 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.503 1.791 . . . . 71.34 110.967 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 583' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -59.43 -16.32 22.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 75.44 109.292 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 584' ' ' PHE . . . . . 0.523 ' O ' ' CD2' ' A' ' 588' ' ' TYR . 1.5 t80 -63.37 -36.13 82.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 74.23 111.014 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 585' ' ' SER . . . . . 0.416 ' HA ' ' CE2' ' A' ' 588' ' ' TYR . 5.3 t -58.89 -27.52 65.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 73.44 110.003 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -87.38 -11.97 47.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 72.31 109.298 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 587' ' ' TYR . . . . . 0.44 ' CD1' HG13 ' A' ' 563' ' ' VAL . 2.4 m-85 -97.56 7.22 46.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 75.23 110.962 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 588' ' ' TYR . . . . . 0.614 ' CD1' ' CG2' ' A' ' 610' ' ' ILE . 1.2 p90 -168.51 159.1 10.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 74.13 110.978 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 589' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -130.38 130.74 44.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 72.31 109.32 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 590' ' ' VAL . . . . . 0.417 ' CG1' ' HA3' ' A' ' 608' ' ' GLY . 21.3 t -72.46 134.46 29.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 75.53 109.306 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 98.8 p . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.123 . . . . 64.11 109.991 179.972 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 604' ' ' TRP . . . . . 0.603 ' CZ2' ' SD ' ' A' ' 623' ' ' MET . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 108.009 -1.108 . . . . 74.52 108.009 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 605' ' ' LYS . . . . . 0.532 ' NZ ' ' CD1' ' A' ' 624' ' ' ILE . 7.4 ptmm? -109.83 157.49 37.53 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 75.32 109.297 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 606' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 176.24 10.17 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.473 1.775 . . . . 74.33 110.988 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 607' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 622' ' ' GLN . . . -141.0 -108.78 0.74 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.493 1.121 . . . . 73.3 110.998 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 608' ' ' GLY . . . . . 0.417 ' HA3' ' CG1' ' A' ' 590' ' ' VAL . . . -146.75 149.8 21.99 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.961 -0.856 . . . . 51.33 110.961 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 11.8 t -56.72 126.12 13.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.457 0.74 . . . . 64.01 109.332 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 610' ' ' ILE . . . . . 0.614 ' CG2' ' CD1' ' A' ' 588' ' ' TYR . 0.9 OUTLIER -96.23 157.5 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 74.31 109.332 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -158.35 119.56 3.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 64.43 109.996 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 612' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 616' ' ' GLY . 11.8 t -44.74 117.92 1.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 74.42 108.328 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 2.4 ttt-85 -71.16 -24.86 62.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 74.01 110.303 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 614' ' ' ASN . . . . . 0.532 ' ND2' ' CG2' ' A' ' 561' ' ' VAL . 69.3 m-20 -67.89 -37.53 81.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 71.34 109.283 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 615' ' ' CYS . . . . . 1.055 ' SG ' ' CB ' ' A' ' 559' ' ' CYS . 1.4 m -123.11 -73.86 0.63 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 72.43 108.317 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 616' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 148.26 -18.22 1.35 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.542 1.151 . . . . 74.25 110.991 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -43.04 103.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 0.756 . . . . 73.31 110.338 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 24.9 t -49.53 120.99 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 73.11 109.305 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 619' ' ' TRP . . . . . 0.543 ' CE2' ' CE ' ' A' ' 638' ' ' MET . 38.7 m0 -80.74 -43.08 20.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 74.41 107.998 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 620' ' ' GLY . . . . . . . . . . . . . . . 161.01 -100.68 0.19 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.475 1.109 . . . . 52.51 110.999 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 621' ' ' LEU . . . . . 0.463 ' CA ' HG13 ' A' ' 610' ' ' ILE . 0.0 OUTLIER -160.77 159.07 29.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 0.788 . . . . 75.4 109.258 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 622' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 607' ' ' GLY . 0.3 OUTLIER -93.16 147.16 23.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 75.22 110.29 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 623' ' ' MET . . . . . 0.603 ' SD ' ' CZ2' ' A' ' 604' ' ' TRP . 12.1 mtp -132.9 139.7 47.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 73.5 110.951 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 624' ' ' ILE . . . . . 0.532 ' CD1' ' NZ ' ' A' ' 605' ' ' LYS . 4.9 mp -108.1 147.05 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 73.23 109.308 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 625' ' ' TYR . . . . . 0.412 ' N ' HG22 ' A' ' 624' ' ' ILE . 10.4 t80 -150.65 120.48 7.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 72.41 111.008 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 626' ' ' LYS . . . . . 0.521 ' O ' ' CB ' ' A' ' 627' ' ' SER . 0.0 OUTLIER 58.54 17.71 5.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 75.42 109.269 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 627' ' ' SER . . . . . 0.521 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.2 p 86.42 38.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 74.15 109.959 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 628' ' ' VAL . . . . . 0.459 HG12 ' CG ' ' A' ' 630' ' ' LEU . 46.8 t -127.33 109.27 20.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.12 . . . . 72.55 109.334 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 3.0 mmmm -64.07 99.19 0.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 65.04 109.309 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 630' ' ' LEU . . . . . 0.542 HD12 ' CE2' ' A' ' 662' ' ' PHE . 25.9 mt -118.47 111.54 38.02 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 75.25 109.319 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 631' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 165.95 30.24 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.475 1.776 . . . . 75.43 111.027 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 632' ' ' VAL . . . . . 0.458 HG21 ' CG1' ' A' ' 578' ' ' VAL . 15.7 t -131.36 102.37 6.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 73.13 109.332 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 633' ' ' LEU . . . . . 0.558 ' CD1' ' N ' ' A' ' 633' ' ' LEU . 0.0 OUTLIER -102.85 171.21 7.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.47 1.106 . . . . 75.34 109.327 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 634' ' ' LYS . . . . . 0.487 ' CD ' ' O ' ' A' ' 619' ' ' TRP . 4.8 mtpt -99.31 -172.54 2.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 72.3 109.317 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 635' ' ' VAL . . . . . 0.517 ' HB ' ' CE2' ' A' ' 652' ' ' TRP . 9.0 p -109.61 -19.86 6.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 71.2 109.319 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 636' ' ' ARG . . . . . 0.402 ' O ' ' CD1' ' A' ' 557' ' ' ILE . 0.8 OUTLIER -84.65 -29.34 25.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 73.15 110.284 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 1.9 t -88.07 -9.39 53.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 71.2 110.022 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 638' ' ' MET . . . . . 0.543 ' CE ' ' CE2' ' A' ' 619' ' ' TRP . 32.7 mmt -109.95 127.95 55.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 74.5 111.015 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 639' ' ' LEU . . . . . . . . . . . . . 6.2 tp -96.13 150.09 20.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 74.02 109.333 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 640' ' ' LEU . . . . . 0.509 HD21 ' CE2' ' A' ' 657' ' ' PHE . 13.8 mt -117.23 100.23 7.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 73.01 109.266 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -74.09 129.55 38.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 73.43 110.308 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 642' ' ' THR . . . . . . . . . . . . . 7.6 p -137.93 158.86 70.58 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 75.13 110.423 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -18.18 18.92 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.517 1.798 . . . . 75.1 111.016 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 644' ' ' GLN . . . . . 0.437 ' NE2' ' O ' ' A' ' 546' ' ' GLN . 5.9 mt-30 -91.41 -5.79 53.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 72.4 110.311 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 125.06 126.63 3.04 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.532 1.145 . . . . 60.32 111.0 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 646' ' ' ARG . . . . . 0.437 ' HB2' ' NH1' ' A' ' 646' ' ' ARG . 3.0 mtp-105 -42.1 151.61 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 0.77 . . . . 71.01 110.306 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 647' ' ' ILE . . . . . . . . . . . . . 10.6 mt -136.27 137.45 48.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 71.23 109.302 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 648' ' ' GLN . . . . . 0.469 ' CG ' HG22 ' A' ' 557' ' ' ILE . 0.2 OUTLIER -135.57 112.63 10.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 71.42 110.285 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 649' ' ' ALA . . . . . 0.459 ' CB ' ' HB2' ' A' ' 654' ' ' ARG . . . -106.34 177.17 4.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.555 1.16 . . . . 74.43 109.282 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 35.6 mttt -110.85 -18.55 13.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 73.11 109.293 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 651' ' ' LYS . . . . . 0.424 ' N ' HG13 ' A' ' 635' ' ' VAL . 0.0 OUTLIER -137.19 142.73 42.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 75.44 109.288 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 652' ' ' TRP . . . . . 0.712 ' CD2' ' CD2' ' A' ' 577' ' ' HIS . 36.2 m95 -59.61 -17.98 37.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 75.42 107.986 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 4.9 m -62.66 -13.14 28.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 63.45 109.946 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 654' ' ' ARG . . . . . 0.459 ' HB2' ' CB ' ' A' ' 649' ' ' ALA . 16.1 mmt-85 -107.31 -25.02 11.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 63.23 110.271 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 655' ' ' VAL . . . . . 0.583 HG11 ' CZ ' ' A' ' 657' ' ' PHE . 2.3 t -41.64 125.66 2.41 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 74.45 109.321 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 656' ' ' PRO . . . . . 0.468 ' HD2' ' CD1' ' A' ' 640' ' ' LEU . 18.5 Cg_endo -74.95 -50.36 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.516 1.798 . . . . 74.55 111.028 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 657' ' ' PHE . . . . . 0.583 ' CZ ' HG11 ' A' ' 655' ' ' VAL . 18.2 p90 -63.01 149.09 45.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 54.25 111.002 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -84.1 145.57 28.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 72.12 109.999 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 659' ' ' VAL . . . . . 0.527 HG22 ' CE1' ' A' ' 657' ' ' PHE . 1.8 t -121.76 101.61 42.47 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 73.43 109.27 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 660' ' ' PRO . . . . . 0.426 ' O ' ' N ' ' A' ' 571' ' ' LYS . 18.3 Cg_endo -75.0 149.87 37.3 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.52 1.8 . . . . 74.24 111.015 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -61.28 145.24 52.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 60.45 109.341 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 662' ' ' PHE . . . . . 0.542 ' CE2' HD12 ' A' ' 630' ' ' LEU . 24.7 t80 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 75.12 110.999 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 546' ' ' GLN . . . . . 0.54 ' C ' ' CD1' ' A' ' 547' ' ' PHE . 9.7 mt-30 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.254 -0.276 . . . . 75.41 110.254 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 547' ' ' PHE . . . . . 0.623 ' CD1' ' N ' ' A' ' 547' ' ' PHE . 0.1 OUTLIER -149.18 104.78 3.34 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 75.35 110.982 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 548' ' ' PRO . . . . . 0.439 ' HB2' ' CG ' ' A' ' 550' ' ' GLU . 18.3 Cg_endo -74.95 137.74 22.24 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.445 1.761 . . . . 75.24 111.035 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 35.5 m -48.59 -40.09 10.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.088 . . . . 71.14 109.305 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 550' ' ' GLU . . . . . 0.439 ' CG ' ' HB2' ' A' ' 548' ' ' PRO . 1.9 pt-20 -58.06 -34.76 70.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 74.42 110.292 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 8.8 m170 -82.96 -16.1 48.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 73.24 109.602 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 552' ' ' VAL . . . . . 0.462 ' CG2' ' HB3' ' A' ' 657' ' ' PHE . 70.5 t -95.09 130.96 43.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 74.21 109.283 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 553' ' ' GLN . . . . . 0.41 ' HG3' ' O ' ' A' ' 564' ' ' GLY . 7.8 tt0 -118.71 151.27 38.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 75.45 110.332 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 1.3 mt -93.91 114.61 26.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 72.43 109.343 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 555' ' ' LEU . . . . . 0.524 HD22 ' CA ' ' A' ' 562' ' ' ALA . 0.2 OUTLIER -134.16 177.16 7.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 74.04 109.296 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 556' ' ' CYS . . . . . 0.539 ' O ' ' N ' ' A' ' 560' ' ' MET . 5.4 t -104.98 103.0 12.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 114.999 -1.001 . . . . 52.43 110.904 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 557' ' ' ILE . . . . . 0.478 ' C ' ' O ' ' A' ' 556' ' ' CYS . 1.4 pt -34.87 -34.38 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.117 . . . . 73.2 109.31 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 558' ' ' ASN . . . . . 0.503 ' N ' ' O ' ' A' ' 556' ' ' CYS . 3.1 m120 -76.4 -62.58 1.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 75.52 109.312 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 559' ' ' CYS . . . . . 1.079 ' CB ' ' SG ' ' A' ' 615' ' ' CYS . 3.6 m -75.42 -68.97 0.51 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 65.22 108.283 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 560' ' ' MET . . . . . 0.539 ' N ' ' O ' ' A' ' 556' ' ' CYS . 26.7 mtm 77.23 47.18 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 65.14 111.032 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 561' ' ' VAL . . . . . 0.459 ' O ' ' CB ' ' A' ' 562' ' ' ALA . 1.0 OUTLIER -113.33 -0.25 9.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 65.33 109.325 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 562' ' ' ALA . . . . . 0.524 ' CA ' HD22 ' A' ' 555' ' ' LEU . . . 81.65 102.16 0.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.543 1.152 . . . . 73.34 109.27 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 2.2 m -99.88 -4.09 9.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 75.21 109.275 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 564' ' ' GLY . . . . . 0.41 ' O ' ' HG3' ' A' ' 553' ' ' GLN . . . 177.88 -159.08 24.59 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.521 1.138 . . . . 74.23 111.007 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 565' ' ' HIS . . . . . . . . . . . . . 61.9 m80 -126.45 149.18 49.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 0.766 . . . . 74.43 109.587 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 566' ' ' GLY . . . . . 0.418 ' O ' ' CD1' ' A' ' 569' ' ' LEU . . . -72.85 -18.01 78.69 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.462 1.101 . . . . 72.04 110.973 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 8.9 t -101.54 13.26 35.5 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 0.763 . . . . 70.4 110.04 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -115.03 -9.83 12.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 65.3 109.287 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 569' ' ' LEU . . . . . 0.47 ' CB ' ' HA ' ' A' ' 579' ' ' ASN . 0.2 OUTLIER -89.99 165.17 14.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 74.24 109.281 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 570' ' ' ARG . . . . . . . . . . . . . 26.1 mmt180 -142.21 -172.76 3.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 73.42 110.363 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 571' ' ' LYS . . . . . 0.573 ' HE2' ' CE1' ' A' ' 577' ' ' HIS . 17.0 ttmt -129.41 116.05 18.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.553 1.158 . . . . 72.32 109.298 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 572' ' ' VAL . . . . . 0.537 HG11 ' CE3' ' A' ' 604' ' ' TRP . 2.3 t -77.83 110.07 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 75.41 109.357 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 573' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 38.76 39.43 0.34 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 73.15 110.297 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 41.73 49.2 5.04 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.437 1.086 . . . . 64.41 111.016 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 575' ' ' THR . . . . . 0.42 ' O ' ' CG ' ' A' ' 576' ' ' HIS . 1.2 m -111.71 -49.1 3.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 0.769 . . . . 72.21 110.389 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 576' ' ' HIS . . . . . 0.42 ' CG ' ' O ' ' A' ' 575' ' ' THR . 37.3 m80 -157.05 111.75 2.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 73.31 109.556 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 577' ' ' HIS . . . . . 0.78 ' CD2' ' CE3' ' A' ' 652' ' ' TRP . 4.5 m80 -39.92 120.62 1.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 72.12 109.601 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 578' ' ' VAL . . . . . 0.495 ' CG1' ' O ' ' A' ' 631' ' ' PRO . 15.1 m -121.97 108.41 21.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 70.2 109.253 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 579' ' ' ASN . . . . . 0.47 ' HA ' ' CB ' ' A' ' 569' ' ' LEU . 1.2 t-20 -79.7 108.35 13.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 64.42 109.309 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 580' ' ' VAL . . . . . . . . . . . . . 3.3 t -82.66 145.31 8.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 73.15 109.275 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 581' ' ' ASN . . . . . 0.481 ' OD1' ' N ' ' A' ' 584' ' ' PHE . 11.3 t-20 170.71 124.66 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 64.31 109.297 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 582' ' ' PRO . . . . . 0.431 ' HD2' ' ND2' ' A' ' 581' ' ' ASN . 18.4 Cg_endo -75.02 -24.55 12.68 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.518 1.799 . . . . 75.12 111.006 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 583' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -85.72 9.08 17.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 72.01 109.326 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 584' ' ' PHE . . . . . 0.797 ' CZ ' ' CZ3' ' A' ' 619' ' ' TRP . 1.4 t80 -84.64 -24.15 29.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.547 1.154 . . . . 74.11 111.025 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 9.1 p -61.0 -28.69 69.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 61.15 110.008 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -87.24 -8.63 56.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 73.25 109.295 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 587' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -101.86 4.92 40.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 74.03 110.963 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 588' ' ' TYR . . . . . 0.597 ' CD2' ' O ' ' A' ' 584' ' ' PHE . 1.3 p90 -169.82 158.48 7.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 73.14 110.988 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 589' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 -129.87 132.03 46.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 74.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 590' ' ' VAL . . . . . 0.446 ' CG1' ' HA3' ' A' ' 608' ' ' GLY . 8.1 t -72.45 134.74 29.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 75.14 109.292 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 31.2 t . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 71.42 109.96 -179.978 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 604' ' ' TRP . . . . . 0.537 ' CE3' HG11 ' A' ' 572' ' ' VAL . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 107.979 -1.119 . . . . 75.44 107.979 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 605' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.16 153.28 47.29 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 74.45 109.285 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 606' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 161.44 38.8 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.492 1.785 . . . . 73.33 111.036 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 607' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 622' ' ' GLN . . . -127.39 -87.75 0.6 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.517 1.136 . . . . 63.04 110.981 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 608' ' ' GLY . . . . . 0.446 ' HA3' ' CG1' ' A' ' 590' ' ' VAL . . . -157.52 144.46 10.61 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.994 -0.842 . . . . 74.14 110.994 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 45.8 t -55.41 129.33 16.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 72.55 109.319 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 610' ' ' ILE . . . . . 0.593 ' CG2' ' CD1' ' A' ' 588' ' ' TYR . 0.8 OUTLIER -95.84 146.93 6.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.508 1.13 . . . . 71.12 109.304 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -146.08 122.86 11.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.095 . . . . 74.41 109.986 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 612' ' ' CYS . . . . . 0.456 ' O ' ' N ' ' A' ' 616' ' ' GLY . 17.8 t -49.57 120.09 3.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.1 . . . . 63.11 108.29 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 11.4 ttt-85 -71.79 -24.73 61.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 75.34 110.309 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 614' ' ' ASN . . . . . 0.404 ' ND2' HG22 ' A' ' 561' ' ' VAL . 91.5 m-20 -69.29 -32.03 70.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 75.32 109.304 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 615' ' ' CYS . . . . . 1.079 ' SG ' ' CB ' ' A' ' 559' ' ' CYS . 0.8 OUTLIER -130.35 -74.76 0.54 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 63.25 108.299 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 616' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 149.0 -18.63 1.22 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.566 1.166 . . . . 75.41 111.004 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -42.79 102.38 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 0.777 . . . . 73.55 110.295 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 92.2 t -49.62 112.43 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 73.23 109.31 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 619' ' ' TRP . . . . . 0.797 ' CZ3' ' CZ ' ' A' ' 584' ' ' PHE . 30.3 m0 -69.16 -54.45 14.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 72.33 107.973 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 620' ' ' GLY . . . . . . . . . . . . . . . -179.62 -102.94 0.17 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.518 1.136 . . . . 74.24 110.986 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 621' ' ' LEU . . . . . 0.499 ' C ' ' CD2' ' A' ' 621' ' ' LEU . 0.0 OUTLIER -163.46 154.06 16.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 0.771 . . . . 74.52 109.315 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 622' ' ' GLN . . . . . 0.497 ' O ' ' CD2' ' A' ' 621' ' ' LEU . 0.0 OUTLIER -85.58 132.82 34.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 72.42 110.313 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 623' ' ' MET . . . . . . . . . . . . . 3.2 mmt -124.37 149.28 46.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 73.13 110.978 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 624' ' ' ILE . . . . . 0.46 ' CD1' ' N ' ' A' ' 624' ' ' ILE . 3.4 mp -119.38 132.83 68.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 72.33 109.302 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 625' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -135.71 124.9 24.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 73.54 110.984 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 626' ' ' LYS . . . . . 0.496 ' O ' ' CB ' ' A' ' 627' ' ' SER . 0.1 OUTLIER 55.71 19.27 3.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.435 1.084 . . . . 73.43 109.271 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 627' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.1 p 85.17 38.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 72.53 109.975 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 628' ' ' VAL . . . . . 0.462 HG13 ' CG ' ' A' ' 630' ' ' LEU . 53.2 t -126.68 122.61 61.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 72.1 109.263 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 8.1 mmmm -71.79 96.52 1.65 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 75.25 109.288 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 630' ' ' LEU . . . . . 0.531 HD12 ' CD2' ' A' ' 662' ' ' PHE . 20.7 mt -121.58 111.3 33.2 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 73.51 109.3 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 631' ' ' PRO . . . . . 0.495 ' O ' ' CG1' ' A' ' 578' ' ' VAL . 18.4 Cg_endo -74.95 156.38 43.23 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.497 1.788 . . . . 75.42 111.028 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 632' ' ' VAL . . . . . 0.451 HG23 ' CH2' ' A' ' 604' ' ' TRP . 84.0 t -113.13 105.27 18.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 74.43 109.322 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 633' ' ' LEU . . . . . 0.579 ' N ' ' CD2' ' A' ' 633' ' ' LEU . 0.4 OUTLIER -109.6 171.65 7.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 75.51 109.325 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 634' ' ' LYS . . . . . 0.472 ' C ' ' CZ2' ' A' ' 652' ' ' TRP . 0.0 OUTLIER -112.7 -178.17 3.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 73.45 109.274 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 635' ' ' VAL . . . . . 0.518 ' HB ' ' CD2' ' A' ' 652' ' ' TRP . 5.9 p -107.56 5.25 9.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.113 . . . . 75.44 109.239 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 636' ' ' ARG . . . . . 0.466 ' HG3' ' CE ' ' A' ' 634' ' ' LYS . 3.6 ptt180 -111.85 1.65 16.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 62.34 110.294 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 637' ' ' SER . . . . . 0.416 ' OG ' ' NZ ' ' A' ' 634' ' ' LYS . 58.9 m -120.32 -4.79 9.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 71.2 109.979 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 638' ' ' MET . . . . . 0.557 ' CE ' ' NE1' ' A' ' 619' ' ' TRP . 30.1 mmt -114.55 148.51 37.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 61.54 111.017 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 639' ' ' LEU . . . . . 0.46 ' CD2' ' HD3' ' A' ' 646' ' ' ARG . 4.1 tp -114.23 129.97 56.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 74.52 109.303 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 640' ' ' LEU . . . . . 0.572 HD22 ' CE2' ' A' ' 657' ' ' PHE . 12.8 mt -99.38 99.95 10.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 72.1 109.295 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . 0.46 ' CG ' HD12 ' A' ' 555' ' ' LEU . 5.3 mt-10 -73.74 120.5 19.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.103 . . . . 74.24 110.257 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 642' ' ' THR . . . . . 0.421 HG22 ' CD1' ' A' ' 647' ' ' ILE . 0.3 OUTLIER -128.56 160.11 64.35 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 55.42 110.424 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 3.29 5.77 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.48 1.779 . . . . 75.1 110.976 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -115.62 -0.76 12.9 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.548 1.155 . . . . 73.35 110.313 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 118.65 129.56 4.02 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.551 1.157 . . . . 65.24 110.955 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 646' ' ' ARG . . . . . 0.46 ' HD3' ' CD2' ' A' ' 639' ' ' LEU . 0.1 OUTLIER -45.13 142.61 1.88 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 0.766 . . . . 73.15 110.3 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 647' ' ' ILE . . . . . 0.421 ' CD1' HG22 ' A' ' 642' ' ' THR . 13.3 mt -122.1 136.75 57.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 75.51 109.312 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 648' ' ' GLN . . . . . 0.451 ' CG ' HG23 ' A' ' 557' ' ' ILE . 0.2 OUTLIER -134.07 112.52 11.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 72.23 110.284 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 649' ' ' ALA . . . . . 0.434 ' CB ' ' HB2' ' A' ' 654' ' ' ARG . . . -111.53 179.85 3.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 72.44 109.295 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 650' ' ' LYS . . . . . 0.416 ' C ' ' CG1' ' A' ' 635' ' ' VAL . 30.3 mttt -112.02 -23.96 10.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 73.34 109.288 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 651' ' ' LYS . . . . . 0.458 ' C ' ' CG1' ' A' ' 635' ' ' VAL . 0.6 OUTLIER -124.85 143.79 50.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 73.53 109.313 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 652' ' ' TRP . . . . . 0.78 ' CE3' ' CD2' ' A' ' 577' ' ' HIS . 72.6 m95 -64.54 -16.05 61.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.167 . . . . 70.01 107.989 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 4.7 m -65.43 -10.86 37.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 71.52 109.967 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 654' ' ' ARG . . . . . 0.434 ' HB2' ' CB ' ' A' ' 649' ' ' ALA . 11.0 mmt180 -103.48 -27.35 12.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 73.03 110.334 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 655' ' ' VAL . . . . . 0.581 HG11 ' CZ ' ' A' ' 657' ' ' PHE . 2.4 t -40.31 123.59 1.73 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.132 . . . . 73.31 109.272 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 656' ' ' PRO . . . . . 0.468 ' HD2' ' CD1' ' A' ' 640' ' ' LEU . 18.3 Cg_endo -74.98 -48.66 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.479 1.779 . . . . 74.44 111.014 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 657' ' ' PHE . . . . . 0.633 ' CE1' ' CG2' ' A' ' 659' ' ' VAL . 19.0 p90 -64.15 148.25 50.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 74.04 111.004 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.11 138.27 39.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 74.32 110.012 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 659' ' ' VAL . . . . . 0.633 ' CG2' ' CE1' ' A' ' 657' ' ' PHE . 2.5 t -118.57 99.77 51.37 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 73.25 109.29 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 660' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 147.32 33.65 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.487 1.782 . . . . 64.21 110.999 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.15 145.58 42.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 72.02 109.26 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 662' ' ' PHE . . . . . 0.531 ' CD2' HD12 ' A' ' 630' ' ' LEU . 27.0 t80 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 73.52 110.978 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 546' ' ' GLN . . . . . 0.538 ' O ' ' CG ' ' A' ' 547' ' ' PHE . 1.3 pt20 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.269 -0.271 . . . . 74.12 110.269 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 547' ' ' PHE . . . . . 0.538 ' CG ' ' O ' ' A' ' 546' ' ' GLN . 94.6 m-85 -162.55 94.53 1.21 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 72.12 110.977 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 548' ' ' PRO . . . . . 0.45 ' HB2' ' CG ' ' A' ' 550' ' ' GLU . 18.3 Cg_endo -74.98 134.96 18.5 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.527 1.804 . . . . 74.54 111.022 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 31.4 m -47.83 -41.38 8.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 73.34 109.26 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 550' ' ' GLU . . . . . 0.45 ' CG ' ' HB2' ' A' ' 548' ' ' PRO . 2.7 pt-20 -55.95 -35.94 67.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 75.12 110.288 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 14.6 m170 -82.98 -26.0 31.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 73.31 109.604 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 552' ' ' VAL . . . . . 0.415 ' CG1' ' HG ' ' A' ' 640' ' ' LEU . 55.9 t -87.16 120.63 36.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 72.21 109.29 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -112.26 142.94 44.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 72.42 110.297 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 2.0 mt -83.22 113.95 21.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 74.12 109.301 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 555' ' ' LEU . . . . . 0.48 HD22 ' CB ' ' A' ' 562' ' ' ALA . 0.3 OUTLIER -132.8 179.78 5.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.09 . . . . 73.12 109.307 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 556' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 559' ' ' CYS . 14.0 t -107.94 105.19 14.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.005 -0.998 . . . . 73.32 110.895 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 557' ' ' ILE . . . . . 0.491 ' HA ' ' CD2' ' A' ' 639' ' ' LEU . 1.2 pt -37.81 -32.91 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.51 1.131 . . . . 73.1 109.289 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 558' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 556' ' ' CYS . 8.7 m-20 -83.33 -48.32 10.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 71.4 109.317 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 559' ' ' CYS . . . . . 1.39 ' SG ' ' CB ' ' A' ' 615' ' ' CYS . 0.5 OUTLIER -123.3 70.05 1.03 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 73.5 108.283 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 560' ' ' MET . . . . . 0.459 ' N ' ' O ' ' A' ' 556' ' ' CYS . 6.5 mtm -63.27 71.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 71.31 111.009 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 561' ' ' VAL . . . . . 0.491 ' N ' ' O ' ' A' ' 559' ' ' CYS . 0.9 OUTLIER -112.58 2.89 8.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.122 . . . . 74.14 109.3 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 562' ' ' ALA . . . . . 0.48 ' CB ' HD22 ' A' ' 555' ' ' LEU . . . 75.22 105.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 74.33 109.29 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 563' ' ' VAL . . . . . 0.559 HG12 ' CD1' ' A' ' 587' ' ' TYR . 1.6 m -104.36 -7.98 9.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 74.04 109.317 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -176.18 -161.81 25.94 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.479 1.112 . . . . 64.2 111.014 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 565' ' ' HIS . . . . . . . . . . . . . 27.5 m80 -126.76 146.85 50.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 0.737 . . . . 75.22 109.597 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . -72.96 -9.12 75.31 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.549 1.156 . . . . 63.51 111.026 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 9.4 t -108.98 10.48 26.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 0.765 . . . . 74.35 109.992 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -111.4 -26.74 8.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 75.21 109.292 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 569' ' ' LEU . . . . . 0.493 ' C ' ' CD1' ' A' ' 569' ' ' LEU . 0.1 OUTLIER -78.54 165.7 23.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 63.34 109.344 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 570' ' ' ARG . . . . . 0.422 ' CG ' ' O ' ' A' ' 569' ' ' LEU . 6.0 mtt85 -163.78 151.27 12.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.095 . . . . 75.45 110.242 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 571' ' ' LYS . . . . . 0.561 ' HE2' ' CE1' ' A' ' 577' ' ' HIS . 13.8 ttmt -74.32 158.79 33.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 75.05 109.265 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 572' ' ' VAL . . . . . 0.453 ' CG2' HG23 ' A' ' 578' ' ' VAL . 2.9 t -98.58 99.73 9.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.535 1.147 . . . . 75.1 109.302 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 573' ' ' GLU . . . . . 0.449 ' CG ' ' O ' ' A' ' 572' ' ' VAL . 10.5 pt-20 45.66 25.55 0.27 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.524 1.14 . . . . 75.1 110.326 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 574' ' ' GLY . . . . . 0.404 ' N ' ' C ' ' A' ' 572' ' ' VAL . . . 75.49 41.08 30.97 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.496 1.123 . . . . 62.31 111.05 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 575' ' ' THR . . . . . 0.413 ' N ' ' O ' ' A' ' 572' ' ' VAL . 21.9 m -113.6 -74.91 0.61 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 0.794 . . . . 72.13 110.437 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 19.0 m80 -126.0 177.59 6.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 74.3 109.579 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 577' ' ' HIS . . . . . 0.634 ' CD2' ' CE3' ' A' ' 652' ' ' TRP . 25.8 m80 -100.98 128.11 47.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 75.32 109.631 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 578' ' ' VAL . . . . . 0.453 HG23 ' CG2' ' A' ' 572' ' ' VAL . 16.0 m -142.29 111.29 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 75.24 109.334 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 579' ' ' ASN . . . . . 0.479 ' HA ' ' CB ' ' A' ' 569' ' ' LEU . 1.9 t-20 -81.14 110.82 17.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 74.51 109.316 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 580' ' ' VAL . . . . . 0.455 ' CG2' HD22 ' A' ' 630' ' ' LEU . 2.7 t -79.21 137.63 21.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.538 1.149 . . . . 62.24 109.296 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 581' ' ' ASN . . . . . 0.443 ' CB ' ' HB2' ' A' ' 584' ' ' PHE . 3.0 m120 177.46 129.39 0.2 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 65.02 109.262 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 582' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -30.74 6.81 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.523 1.802 . . . . 73.44 111.025 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 583' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -82.3 -1.79 50.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 65.24 109.335 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 584' ' ' PHE . . . . . 0.476 ' CE1' ' OD1' ' A' ' 579' ' ' ASN . 3.4 t80 -70.94 -32.76 69.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 72.13 111.022 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 585' ' ' SER . . . . . 0.552 ' HA ' ' CE2' ' A' ' 588' ' ' TYR . 30.7 t -60.37 -23.76 64.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 64.32 110.015 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -87.41 -12.79 45.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.57 1.169 . . . . 75.53 109.32 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 587' ' ' TYR . . . . . 0.559 ' CD1' HG12 ' A' ' 563' ' ' VAL . 5.0 m-85 -97.88 7.65 46.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 74.33 111.004 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 588' ' ' TYR . . . . . 0.598 ' CD1' ' C ' ' A' ' 588' ' ' TYR . 1.1 p90 -166.72 158.92 13.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 74.45 110.979 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 589' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -127.55 129.29 47.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 73.3 109.276 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 10.0 t -72.43 135.15 28.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 54.42 109.294 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 4.7 m . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 75.3 109.98 179.979 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 604' ' ' TRP . . . . . 0.526 ' CZ3' ' SD ' ' A' ' 623' ' ' MET . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 107.956 -1.127 . . . . 74.23 107.956 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 605' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -94.33 153.59 40.49 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 75.31 109.275 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 606' ' ' PRO . . . . . 0.403 ' O ' ' CD1' ' A' ' 624' ' ' ILE . 18.3 Cg_endo -74.98 -162.53 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.549 1.816 . . . . 74.21 111.016 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 607' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 622' ' ' GLN . . . -148.82 -110.78 0.57 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.494 1.121 . . . . 73.24 111.001 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 608' ' ' GLY . . . . . . . . . . . . . . . -143.37 158.81 27.39 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.975 -0.85 . . . . 74.54 110.975 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 76.6 t -64.27 127.8 25.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.533 0.784 . . . . 71.44 109.313 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 610' ' ' ILE . . . . . 0.566 HG22 ' CD1' ' A' ' 588' ' ' TYR . 0.8 OUTLIER -97.33 156.81 3.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 74.15 109.274 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -155.89 128.35 7.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 63.42 110.002 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 612' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 616' ' ' GLY . 17.0 t -54.9 119.58 5.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 71.33 108.276 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -74.3 -27.5 60.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 75.52 110.328 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 614' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -61.25 -28.09 68.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 73.12 109.291 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 615' ' ' CYS . . . . . 1.39 ' CB ' ' SG ' ' A' ' 559' ' ' CYS . 1.8 m -138.41 -73.02 0.4 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 71.33 108.293 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 616' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 153.48 -19.58 0.7 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.465 1.103 . . . . 64.41 111.033 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -41.95 105.55 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 0.739 . . . . 64.11 110.34 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 24.9 t -52.02 138.61 9.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 73.04 109.287 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 619' ' ' TRP . . . . . 0.55 ' CZ2' ' HE2' ' A' ' 638' ' ' MET . 40.7 m0 -98.85 -46.28 5.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 73.34 108.021 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 620' ' ' GLY . . . . . . . . . . . . . . . 164.45 -101.57 0.19 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.481 1.113 . . . . 54.43 110.951 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 621' ' ' LEU . . . . . 0.542 ' CD1' ' C ' ' A' ' 621' ' ' LEU . 0.4 OUTLIER -158.25 168.63 26.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 0.772 . . . . 62.53 109.321 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 622' ' ' GLN . . . . . 0.487 ' OE1' ' CE ' ' A' ' 629' ' ' LYS . 0.5 OUTLIER -100.65 136.4 40.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 74.44 110.289 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 623' ' ' MET . . . . . 0.526 ' SD ' ' CZ3' ' A' ' 604' ' ' TRP . 5.7 mmt -121.77 136.48 54.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 74.24 111.008 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 624' ' ' ILE . . . . . 0.403 ' CD1' ' O ' ' A' ' 606' ' ' PRO . 4.7 mp -108.17 144.64 16.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 73.54 109.295 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 625' ' ' TYR . . . . . 0.563 ' C ' ' CD1' ' A' ' 625' ' ' TYR . 0.1 OUTLIER -147.57 106.43 3.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 74.3 110.99 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 626' ' ' LYS . . . . . 0.502 ' O ' ' CB ' ' A' ' 627' ' ' SER . 0.8 OUTLIER 67.47 22.7 9.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 72.4 109.297 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 627' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.2 p 85.15 37.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 62.15 110.027 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 628' ' ' VAL . . . . . 0.505 ' CG1' ' CD2' ' A' ' 630' ' ' LEU . 53.8 t -121.93 110.63 27.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 74.51 109.295 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 629' ' ' LYS . . . . . 0.487 ' CE ' ' OE1' ' A' ' 622' ' ' GLN . 4.9 mmmm -71.61 100.37 2.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 73.12 109.295 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 630' ' ' LEU . . . . . 0.512 HD12 ' CD2' ' A' ' 662' ' ' PHE . 41.8 mt -118.11 111.83 38.47 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 73.04 109.304 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 631' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 134.65 18.13 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.561 1.822 . . . . 73.31 111.013 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 632' ' ' VAL . . . . . 0.448 ' C ' ' CD1' ' A' ' 633' ' ' LEU . 20.4 t -98.72 106.95 19.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 75.52 109.319 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 633' ' ' LEU . . . . . 0.556 ' CD1' ' N ' ' A' ' 633' ' ' LEU . 0.0 OUTLIER -110.11 171.74 7.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.125 . . . . 65.24 109.278 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 634' ' ' LYS . . . . . 0.49 ' CD ' ' O ' ' A' ' 619' ' ' TRP . 5.5 mtpt -100.43 -173.77 2.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 74.45 109.293 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 635' ' ' VAL . . . . . 0.511 ' HB ' ' CD2' ' A' ' 652' ' ' TRP . 9.2 p -106.8 -30.75 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 65.33 109.295 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 636' ' ' ARG . . . . . . . . . . . . . 7.9 ptt180 -82.77 -0.74 49.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 74.54 110.26 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 16.2 t -111.77 -13.46 13.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 75.43 109.986 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 638' ' ' MET . . . . . 0.55 ' HE2' ' CZ2' ' A' ' 619' ' ' TRP . 32.3 mmt -109.01 125.5 52.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 71.31 110.962 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 639' ' ' LEU . . . . . 0.491 ' CD2' ' HA ' ' A' ' 557' ' ' ILE . 0.0 OUTLIER -88.16 134.38 33.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 73.0 109.287 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 640' ' ' LEU . . . . . 0.453 ' N ' HD13 ' A' ' 639' ' ' LEU . 0.1 OUTLIER -106.32 96.18 6.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 74.04 109.313 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . 0.429 ' HB2' ' CD1' ' A' ' 555' ' ' LEU . 4.7 mt-10 -73.29 125.19 27.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 73.12 110.322 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 642' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -135.33 160.28 68.61 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 74.41 110.364 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 2.26 6.85 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.506 1.793 . . . . 74.35 110.982 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -108.71 -10.26 15.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 74.54 110.273 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 125.29 140.1 5.34 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.528 1.143 . . . . 74.02 111.017 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 49.5 mtm-85 -46.09 153.16 0.33 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 0.747 . . . . 73.33 110.264 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 647' ' ' ILE . . . . . . . . . . . . . 49.2 mt -139.07 126.08 25.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 74.23 109.337 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 648' ' ' GLN . . . . . 0.406 ' NE2' HD13 ' A' ' 557' ' ' ILE . 0.0 OUTLIER -125.41 95.83 4.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 74.02 110.26 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 649' ' ' ALA . . . . . . . . . . . . . . . -88.2 178.28 6.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 74.44 109.299 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 60.7 mttt -110.76 -24.43 10.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 74.34 109.305 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 651' ' ' LYS . . . . . 0.4 ' CA ' HG11 ' A' ' 635' ' ' VAL . 2.0 mppt? -133.67 160.11 38.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 71.44 109.267 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 652' ' ' TRP . . . . . 0.634 ' CE3' ' CD2' ' A' ' 577' ' ' HIS . 63.8 m95 -74.39 -5.88 44.96 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.981 -1.118 . . . . 75.12 107.981 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 9.0 t -70.56 -16.97 62.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 65.1 110.001 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 654' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 655' ' ' VAL . 6.5 mmm180 -100.53 -15.15 17.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 75.34 110.265 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 655' ' ' VAL . . . . . 0.572 HG12 ' CE1' ' A' ' 657' ' ' PHE . 5.2 t -39.98 116.5 1.2 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 72.32 109.29 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 656' ' ' PRO . . . . . 0.469 ' HB2' ' CB ' ' A' ' 547' ' ' PHE . 18.3 Cg_endo -75.01 -40.63 0.83 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.49 1.784 . . . . 75.14 110.985 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 657' ' ' PHE . . . . . 0.642 ' CE2' ' CG2' ' A' ' 659' ' ' VAL . 38.8 p90 -75.07 155.92 36.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 73.4 111.017 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 1.4 m -81.53 141.63 33.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 74.32 110.007 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 659' ' ' VAL . . . . . 0.642 ' CG2' ' CE2' ' A' ' 657' ' ' PHE . 1.9 t -129.63 95.27 29.99 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 74.42 109.323 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 660' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 147.83 34.34 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.532 1.806 . . . . 73.22 110.995 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 661' ' ' ASP . . . . . 0.439 ' OD2' ' N ' ' A' ' 661' ' ' ASP . 0.9 OUTLIER -73.05 158.92 34.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 52.43 109.294 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 662' ' ' PHE . . . . . 0.512 ' CD2' HD12 ' A' ' 630' ' ' LEU . 4.6 t80 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 75.42 111.019 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 546' ' ' GLN . . . . . 0.513 ' C ' ' CD1' ' A' ' 547' ' ' PHE . 2.3 pt20 . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 110.317 -0.253 . . . . 75.44 110.317 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 547' ' ' PHE . . . . . 0.642 ' CD1' ' N ' ' A' ' 547' ' ' PHE . 0.1 OUTLIER -148.66 97.24 3.74 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 74.15 110.95 -179.923 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 548' ' ' PRO . . . . . 0.52 ' HG2' ' CG ' ' A' ' 551' ' ' HIS . 18.3 Cg_endo -75.01 129.63 12.51 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.543 1.812 . . . . 74.44 110.986 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 549' ' ' VAL . . . . . 0.414 HG22 ' N ' ' A' ' 550' ' ' GLU . 33.3 m -47.81 -39.91 7.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 73.52 109.269 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 550' ' ' GLU . . . . . 0.459 ' CG ' ' HB2' ' A' ' 548' ' ' PRO . 4.8 pt-20 -56.77 -36.71 70.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 65.42 110.284 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 551' ' ' HIS . . . . . 0.52 ' CG ' ' HG2' ' A' ' 548' ' ' PRO . 43.9 m170 -84.57 -23.18 29.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 73.54 109.643 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 552' ' ' VAL . . . . . . . . . . . . . 84.0 t -83.08 118.86 31.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 73.44 109.307 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -110.81 169.99 8.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 73.13 110.347 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 554' ' ' LEU . . . . . 0.417 ' N ' HD12 ' A' ' 555' ' ' LEU . 2.9 mt -110.04 106.19 15.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 73.4 109.329 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 555' ' ' LEU . . . . . 0.614 ' CD1' ' N ' ' A' ' 555' ' ' LEU . 0.0 OUTLIER -123.32 168.37 12.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 75.51 109.307 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 556' ' ' CYS . . . . . 0.616 ' O ' ' N ' ' A' ' 560' ' ' MET . 4.2 t -99.37 106.89 19.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.001 -0.999 . . . . 75.2 110.938 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 557' ' ' ILE . . . . . 0.456 HG21 ' CG ' ' A' ' 648' ' ' GLN . 1.0 OUTLIER -36.32 -32.2 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 73.41 109.335 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 558' ' ' ASN . . . . . 0.498 ' N ' ' O ' ' A' ' 556' ' ' CYS . 3.0 m120 -80.72 -66.3 0.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 73.21 109.248 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 559' ' ' CYS . . . . . 1.078 ' CB ' ' SG ' ' A' ' 615' ' ' CYS . 28.1 m -71.25 -63.52 1.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 73.52 108.264 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 560' ' ' MET . . . . . 0.616 ' N ' ' O ' ' A' ' 556' ' ' CYS . 6.7 mtm 69.19 52.48 0.48 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 74.31 111.004 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 561' ' ' VAL . . . . . 0.51 ' O ' ' CB ' ' A' ' 562' ' ' ALA . 1.4 m -117.61 -7.35 11.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 75.33 109.29 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 562' ' ' ALA . . . . . 0.51 ' CB ' ' O ' ' A' ' 561' ' ' VAL . . . 84.55 107.64 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 75.31 109.325 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 563' ' ' VAL . . . . . 0.445 ' HA ' ' CD2' ' A' ' 587' ' ' TYR . 0.3 OUTLIER -107.11 -4.76 10.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 75.14 109.298 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -173.37 -152.98 9.2 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.529 1.143 . . . . 62.03 111.035 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 565' ' ' HIS . . . . . . . . . . . . . 29.4 m-70 -136.81 154.05 50.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.454 0.738 . . . . 74.34 109.593 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . -80.81 -11.36 84.0 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.458 1.099 . . . . 42.32 111.008 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 32.7 t -104.98 5.67 32.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 0.77 . . . . 53.1 109.985 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -113.19 -13.98 12.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 70.4 109.277 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 569' ' ' LEU . . . . . 0.514 ' CD2' ' CZ ' ' A' ' 657' ' ' PHE . 0.2 OUTLIER -79.62 150.15 31.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 75.34 109.3 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 570' ' ' ARG . . . . . 0.466 ' HA ' ' CG2' ' A' ' 659' ' ' VAL . 75.5 mtt85 -132.51 149.6 52.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 73.1 110.334 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 571' ' ' LYS . . . . . 0.464 ' CD ' ' O ' ' A' ' 659' ' ' VAL . 20.9 ptmt -101.67 153.38 19.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 75.21 109.277 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 572' ' ' VAL . . . . . 0.403 ' O ' ' CG ' ' A' ' 573' ' ' GLU . 2.6 t -111.72 104.21 16.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 74.21 109.308 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 573' ' ' GLU . . . . . 0.403 ' CG ' ' O ' ' A' ' 572' ' ' VAL . 9.6 pt-20 42.83 36.16 0.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 73.3 110.315 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 44.45 45.74 8.45 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.513 1.133 . . . . 52.44 110.992 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 575' ' ' THR . . . . . 0.507 ' O ' ' CG ' ' A' ' 576' ' ' HIS . 1.3 m -112.73 -35.57 5.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 0.773 . . . . 72.01 110.361 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 576' ' ' HIS . . . . . 0.507 ' CG ' ' O ' ' A' ' 575' ' ' THR . 10.7 m80 -168.13 106.09 0.49 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 75.1 109.598 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 577' ' ' HIS . . . . . 0.706 ' CD2' ' CE3' ' A' ' 652' ' ' TRP . 4.7 m80 -44.7 151.22 0.3 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 75.41 109.575 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 578' ' ' VAL . . . . . 0.439 HG11 ' CG2' ' A' ' 632' ' ' VAL . 2.6 m -154.86 108.38 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 74.33 109.336 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 579' ' ' ASN . . . . . 0.463 ' HB3' ' CD2' ' A' ' 633' ' ' LEU . 2.5 t-20 -83.99 119.06 24.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 74.34 109.312 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 580' ' ' VAL . . . . . 0.486 ' CG1' ' CD2' ' A' ' 630' ' ' LEU . 2.3 t -91.08 143.02 12.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 73.11 109.307 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 581' ' ' ASN . . . . . 0.452 ' CB ' ' HB2' ' A' ' 584' ' ' PHE . 21.3 m-20 179.01 132.66 0.23 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 74.32 109.308 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 582' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -49.09 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.485 1.782 . . . . 75.51 110.975 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 583' ' ' ASN . . . . . . . . . . . . . 12.7 m-20 -60.61 -15.6 29.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 70.34 109.302 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 584' ' ' PHE . . . . . 0.577 ' CE2' ' CZ3' ' A' ' 619' ' ' TRP . 2.0 t80 -61.0 -36.93 80.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 73.44 110.999 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 585' ' ' SER . . . . . 0.568 ' HA ' ' CE2' ' A' ' 588' ' ' TYR . 1.5 t -56.5 -29.58 62.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 62.32 109.967 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -87.18 -16.88 34.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 72.15 109.304 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 587' ' ' TYR . . . . . 0.445 ' CD2' ' HA ' ' A' ' 563' ' ' VAL . 8.5 m-30 -89.48 -10.04 47.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 70.12 110.984 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 588' ' ' TYR . . . . . 0.572 ' CD1' ' C ' ' A' ' 588' ' ' TYR . 1.9 p90 -147.1 157.75 43.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 74.42 110.98 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 589' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -123.6 129.3 50.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.162 . . . . 74.31 109.285 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 590' ' ' VAL . . . . . 0.457 ' CG1' ' HA3' ' A' ' 608' ' ' GLY . 7.4 t -76.31 137.06 23.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 75.5 109.288 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 3.8 t . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 54.54 110.012 179.97 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 604' ' ' TRP . . . . . 0.539 ' CG ' ' SD ' ' A' ' 623' ' ' MET . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 108.009 -1.108 . . . . 72.2 108.009 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 605' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.85 151.16 47.01 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 70.15 109.287 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 606' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 127.9 11.03 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.547 1.814 . . . . 73.42 111.017 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 607' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 622' ' ' GLN . . . -97.23 -117.88 3.61 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.504 1.128 . . . . 63.11 111.004 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 608' ' ' GLY . . . . . 0.457 ' HA3' ' CG1' ' A' ' 590' ' ' VAL . . . -133.34 148.08 19.23 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.003 -0.839 . . . . 71.11 111.003 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 24.7 t -54.11 125.68 9.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 0.755 . . . . 70.41 109.274 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 610' ' ' ILE . . . . . 0.461 HG13 ' CA ' ' A' ' 621' ' ' LEU . 0.7 OUTLIER -91.35 144.89 8.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.151 . . . . 75.23 109.273 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.86 131.85 29.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 55.11 109.966 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 612' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 616' ' ' GLY . 35.8 t -61.82 107.9 0.92 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.443 1.09 . . . . 63.35 108.289 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 11.4 ttt180 -66.47 -33.03 74.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 70.53 110.32 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 614' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -56.8 -41.78 78.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 72.3 109.319 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 615' ' ' CYS . . . . . 1.078 ' SG ' ' CB ' ' A' ' 559' ' ' CYS . 0.8 OUTLIER -126.95 -74.24 0.6 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 64.22 108.277 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 616' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 160.29 -24.29 0.28 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.495 1.122 . . . . 65.45 110.984 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -42.13 106.68 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 0.739 . . . . 72.33 110.311 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 78.2 t -56.9 140.66 14.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 73.12 109.235 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 619' ' ' TRP . . . . . 0.577 ' CZ3' ' CE2' ' A' ' 584' ' ' PHE . 42.2 m0 -98.07 -42.62 7.39 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.961 -1.126 . . . . 73.52 107.961 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 620' ' ' GLY . . . . . . . . . . . . . . . 163.59 -108.15 0.33 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.508 1.13 . . . . 65.33 110.959 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 621' ' ' LEU . . . . . 0.503 ' C ' ' CD2' ' A' ' 621' ' ' LEU . 0.0 OUTLIER -152.7 154.27 34.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 0.748 . . . . 75.31 109.298 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 622' ' ' GLN . . . . . 0.451 ' O ' ' CD2' ' A' ' 621' ' ' LEU . 1.6 tt0 -86.66 134.97 33.57 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.143 . . . . 74.53 110.263 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 623' ' ' MET . . . . . 0.539 ' SD ' ' CG ' ' A' ' 604' ' ' TRP . 4.8 mmt -115.24 126.2 54.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 71.55 111.008 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 624' ' ' ILE . . . . . . . . . . . . . 1.7 mp -102.36 112.19 34.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 74.43 109.305 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 625' ' ' TYR . . . . . 0.519 ' C ' ' CD1' ' A' ' 625' ' ' TYR . 0.2 OUTLIER -112.8 108.67 17.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 74.54 110.998 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 626' ' ' LYS . . . . . 0.513 ' O ' ' CB ' ' A' ' 627' ' ' SER . 1.4 mmmt 65.37 21.48 11.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 72.43 109.321 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 627' ' ' SER . . . . . 0.513 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.2 p 86.6 40.7 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 73.34 110.026 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 628' ' ' VAL . . . . . 0.468 HG13 ' CG ' ' A' ' 630' ' ' LEU . 55.3 t -124.6 110.3 24.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 73.11 109.307 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 17.9 mmmt -67.81 99.18 0.79 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 74.41 109.285 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 630' ' ' LEU . . . . . 0.568 HD11 ' CE2' ' A' ' 662' ' ' PHE . 53.6 mt -119.78 111.81 35.67 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 73.21 109.306 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 631' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 126.54 10.02 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.547 1.814 . . . . 63.31 110.998 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 632' ' ' VAL . . . . . 0.439 ' CG2' HG11 ' A' ' 578' ' ' VAL . 41.5 t -98.24 101.97 12.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 71.1 109.297 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 633' ' ' LEU . . . . . 0.555 ' CD1' ' N ' ' A' ' 633' ' ' LEU . 0.0 OUTLIER -103.42 171.28 7.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.098 . . . . 75.22 109.287 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 3.0 mtpt -97.35 -177.01 3.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 74.44 109.266 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 635' ' ' VAL . . . . . 0.497 ' CG1' ' C ' ' A' ' 650' ' ' LYS . 7.5 p -104.11 -10.21 9.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 70.12 109.257 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 636' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -94.28 -23.58 17.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 75.11 110.303 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 6.8 p -90.96 -9.98 44.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 71.52 109.979 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 638' ' ' MET . . . . . 0.41 ' HA ' ' O ' ' A' ' 555' ' ' LEU . 32.4 mmt -114.53 125.06 53.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.118 . . . . 75.45 111.008 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 639' ' ' LEU . . . . . . . . . . . . . 1.6 tp -91.65 124.78 36.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.427 1.079 . . . . 73.02 109.274 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 640' ' ' LEU . . . . . 0.471 ' CD1' ' HD2' ' A' ' 656' ' ' PRO . 51.2 mt -88.56 100.92 13.45 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.116 . . . . 74.2 109.319 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -73.41 129.01 37.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 73.4 110.301 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 642' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -141.74 160.7 55.21 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 73.12 110.389 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 2.7 6.34 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.52 1.8 . . . . 74.12 111.007 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -113.35 0.42 14.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 74.22 110.269 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 113.56 124.94 4.19 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.534 1.147 . . . . 72.34 110.999 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 1.3 mtt85 -38.68 148.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 0.74 . . . . 73.12 110.274 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 647' ' ' ILE . . . . . . . . . . . . . 14.2 mt -130.19 129.76 65.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 74.32 109.308 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 648' ' ' GLN . . . . . 0.456 ' CG ' HG21 ' A' ' 557' ' ' ILE . 0.9 OUTLIER -124.65 110.21 14.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 71.11 110.299 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 649' ' ' ALA . . . . . 0.403 ' N ' ' OE1' ' A' ' 648' ' ' GLN . . . -122.91 168.79 11.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 73.21 109.284 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 650' ' ' LYS . . . . . 0.497 ' C ' ' CG1' ' A' ' 635' ' ' VAL . 1.7 mtmt -104.96 -18.27 14.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 75.2 109.289 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -114.87 135.5 54.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 75.23 109.308 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 652' ' ' TRP . . . . . 0.706 ' CE3' ' CD2' ' A' ' 577' ' ' HIS . 75.9 m95 -66.93 -12.17 58.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 71.23 107.998 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 46.5 t -65.3 -11.15 38.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 65.31 110.021 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 654' ' ' ARG . . . . . 0.41 ' O ' ' C ' ' A' ' 655' ' ' VAL . 7.3 mmm180 -99.58 -29.55 12.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 74.51 110.276 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 655' ' ' VAL . . . . . 0.579 HG12 ' CZ ' ' A' ' 657' ' ' PHE . 2.4 t -39.85 119.84 1.41 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 70.23 109.282 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 656' ' ' PRO . . . . . 0.516 ' HB2' ' CG ' ' A' ' 547' ' ' PHE . 18.3 Cg_endo -75.01 -42.78 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.516 1.798 . . . . 65.35 110.971 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 657' ' ' PHE . . . . . 0.579 ' CZ ' HG12 ' A' ' 655' ' ' VAL . 9.5 p90 -69.26 151.41 46.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 64.24 110.984 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -101.39 149.6 23.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 71.31 110.004 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 659' ' ' VAL . . . . . 0.471 ' HB ' ' CD1' ' A' ' 569' ' ' LEU . 0.1 OUTLIER -143.52 112.8 5.51 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 74.52 109.318 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 660' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 148.06 34.92 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.436 1.756 . . . . 73.12 111.026 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -42.23 151.52 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 64.31 109.291 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 662' ' ' PHE . . . . . 0.568 ' CE2' HD11 ' A' ' 630' ' ' LEU . 30.4 t80 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 73.23 111.004 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 546' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.329 -0.248 . . . . 75.34 110.329 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 547' ' ' PHE . . . . . 0.524 ' CG ' ' HB2' ' A' ' 656' ' ' PRO . 7.0 m-85 -148.81 102.98 3.41 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 74.21 111.011 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 548' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 143.44 29.29 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.489 1.784 . . . . 60.41 111.027 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 28.4 m -50.33 -45.31 24.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 75.34 109.277 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -53.18 -30.32 36.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 74.24 110.274 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 9.2 m170 -87.59 -29.1 21.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 74.44 109.59 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 552' ' ' VAL . . . . . 0.47 ' CG2' ' HB3' ' A' ' 657' ' ' PHE . 54.0 t -86.78 119.76 35.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 73.15 109.266 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -108.37 144.6 35.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 74.21 110.292 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 554' ' ' LEU . . . . . 0.413 ' CD1' HD21 ' A' ' 569' ' ' LEU . 0.9 OUTLIER -87.36 114.7 24.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 74.04 109.289 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 555' ' ' LEU . . . . . 0.525 HD23 ' CA ' ' A' ' 562' ' ' ALA . 0.2 OUTLIER -133.69 177.93 7.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 74.32 109.305 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 556' ' ' CYS . . . . . 0.511 ' O ' ' N ' ' A' ' 560' ' ' MET . 5.1 t -107.88 100.87 10.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 114.976 -1.011 . . . . 74.11 110.937 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 557' ' ' ILE . . . . . 0.478 ' C ' ' O ' ' A' ' 556' ' ' CYS . 1.2 pt -34.75 -34.2 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 74.2 109.25 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 558' ' ' ASN . . . . . 0.501 ' N ' ' O ' ' A' ' 556' ' ' CYS . 2.5 m120 -75.07 -61.44 1.89 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 74.45 109.318 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 559' ' ' CYS . . . . . 1.178 ' CB ' ' SG ' ' A' ' 615' ' ' CYS . 2.8 m -78.36 -69.82 0.53 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 75.31 108.264 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 560' ' ' MET . . . . . 0.511 ' HB2' ' O ' ' A' ' 559' ' ' CYS . 28.1 mtm 79.59 45.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 73.33 111.042 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 561' ' ' VAL . . . . . 0.417 HG21 ' ND2' ' A' ' 614' ' ' ASN . 1.0 OUTLIER -115.45 15.02 7.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 74.13 109.232 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 562' ' ' ALA . . . . . 0.525 ' CA ' HD23 ' A' ' 555' ' ' LEU . . . 65.67 111.17 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 71.31 109.311 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 563' ' ' VAL . . . . . 0.57 ' HA ' ' CE2' ' A' ' 587' ' ' TYR . 2.4 m -110.5 -5.59 11.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.162 . . . . 75.42 109.367 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -179.51 -160.22 24.82 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.472 1.108 . . . . 44.24 110.981 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 565' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -129.61 156.67 43.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 0.735 . . . . 70.43 109.625 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . -78.65 -5.72 88.27 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.498 1.124 . . . . 71.34 111.045 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 3.1 t -108.42 10.9 27.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 0.752 . . . . 73.53 110.033 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 53.9 m-20 -110.72 -33.92 6.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 72.44 109.28 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 569' ' ' LEU . . . . . 0.473 ' C ' ' CD1' ' A' ' 569' ' ' LEU . 0.1 OUTLIER -79.21 158.85 27.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 72.34 109.295 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 570' ' ' ARG . . . . . 0.697 ' CZ ' ' CD1' ' A' ' 662' ' ' PHE . 8.5 mtm105 -132.39 -172.11 2.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 74.55 110.32 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 571' ' ' LYS . . . . . 0.49 ' CG ' ' HA2' ' A' ' 574' ' ' GLY . 4.9 ttmt -132.61 107.92 8.74 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 74.3 109.333 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 572' ' ' VAL . . . . . 0.457 ' O ' ' C ' ' A' ' 573' ' ' GLU . 2.4 t -79.69 110.97 15.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 74.51 109.287 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 573' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 572' ' ' VAL . 6.6 pt-20 34.64 43.91 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 75.23 110.308 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 574' ' ' GLY . . . . . 0.49 ' HA2' ' CG ' ' A' ' 571' ' ' LYS . . . 34.82 51.14 0.8 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.532 1.145 . . . . 74.44 110.992 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 2.9 m -117.57 -40.16 3.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 0.729 . . . . 74.0 110.418 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 576' ' ' HIS . . . . . 0.457 ' HB3' ' CG1' ' A' ' 632' ' ' VAL . 2.9 m80 -161.79 112.6 1.65 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 74.33 109.612 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 577' ' ' HIS . . . . . 0.744 ' CD2' ' CD2' ' A' ' 652' ' ' TRP . 50.7 m-70 -66.11 118.69 10.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 71.11 109.641 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 578' ' ' VAL . . . . . 0.517 ' CG1' ' CG2' ' A' ' 632' ' ' VAL . 10.6 m -120.25 112.72 37.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 64.02 109.293 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 579' ' ' ASN . . . . . 0.6 ' OD1' ' CE1' ' A' ' 584' ' ' PHE . 2.2 t-20 -77.93 116.88 18.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 75.53 109.262 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 580' ' ' VAL . . . . . 0.466 ' CG2' ' NH2' ' A' ' 570' ' ' ARG . 26.2 t -91.86 125.28 44.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 75.13 109.334 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 581' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -173.89 136.27 0.65 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 71.52 109.32 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 582' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -35.93 2.87 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.476 1.777 . . . . 74.42 111.036 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 583' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -74.38 -6.03 45.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 72.31 109.264 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 584' ' ' PHE . . . . . 0.6 ' CE1' ' OD1' ' A' ' 579' ' ' ASN . 3.8 t80 -72.41 -33.9 67.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 75.23 111.026 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 585' ' ' SER . . . . . 0.546 ' HA ' ' CE2' ' A' ' 588' ' ' TYR . 4.6 t -57.3 -26.27 60.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 74.23 110.02 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -87.41 -17.51 32.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 73.24 109.313 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 587' ' ' TYR . . . . . 0.57 ' CE2' ' HA ' ' A' ' 563' ' ' VAL . 2.3 m-85 -91.08 4.7 51.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 74.41 110.971 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 588' ' ' TYR . . . . . 0.592 ' CD1' ' C ' ' A' ' 588' ' ' TYR . 1.0 OUTLIER -164.13 158.89 19.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 72.21 110.997 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 589' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -134.47 128.47 33.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 63.55 109.315 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 590' ' ' VAL . . . . . 0.437 ' CG1' ' HA3' ' A' ' 608' ' ' GLY . 17.2 t -72.67 133.18 32.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.127 . . . . 74.1 109.284 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 34.9 t . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 70.22 109.986 -179.978 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 604' ' ' TRP . . . . . 0.565 ' CH2' ' HG3' ' A' ' 623' ' ' MET . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 107.982 -1.118 . . . . 74.43 107.982 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 605' ' ' LYS . . . . . . . . . . . . . 9.9 ptmt -112.34 157.58 39.62 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.578 1.174 . . . . 72.01 109.275 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 606' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 171.51 18.18 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.48 1.779 . . . . 63.44 110.972 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 607' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 622' ' ' GLN . . . -135.59 -108.71 0.96 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.482 1.114 . . . . 71.53 111.007 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 608' ' ' GLY . . . . . 0.437 ' HA3' ' CG1' ' A' ' 590' ' ' VAL . . . -135.36 148.14 19.47 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 110.994 -0.842 . . . . 75.24 110.994 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 13.5 t -57.04 126.46 14.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 0.755 . . . . 74.42 109.26 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 610' ' ' ILE . . . . . 0.473 HG13 ' CA ' ' A' ' 621' ' ' LEU . 0.6 OUTLIER -95.06 145.33 8.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 75.43 109.318 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.87 121.76 9.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.589 1.181 . . . . 74.4 109.973 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 612' ' ' CYS . . . . . 0.514 ' HB2' ' CE2' ' A' ' 619' ' ' TRP . 33.8 t -48.78 119.99 3.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 74.21 108.3 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 7.4 ttt180 -71.01 -25.35 62.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 71.51 110.278 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 614' ' ' ASN . . . . . 0.417 ' ND2' HG21 ' A' ' 561' ' ' VAL . 81.0 m-20 -67.38 -36.03 80.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 74.14 109.328 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 615' ' ' CYS . . . . . 1.178 ' SG ' ' CB ' ' A' ' 559' ' ' CYS . 0.2 OUTLIER -126.43 -74.63 0.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 75.45 108.341 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 616' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 148.07 -17.27 1.37 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.529 1.143 . . . . 73.54 110.983 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 617' ' ' GLU . . . . . 0.423 ' OE1' ' ND2' ' A' ' 558' ' ' ASN . 19.2 tp10 -42.49 102.87 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.52 0.777 . . . . 75.33 110.302 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 618' ' ' VAL . . . . . 0.451 ' O ' ' NZ ' ' A' ' 634' ' ' LYS . 25.6 t -49.17 118.08 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 72.44 109.263 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 619' ' ' TRP . . . . . 0.587 ' CE2' ' CE ' ' A' ' 638' ' ' MET . 36.7 m0 -81.44 -39.2 25.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 73.42 108.013 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 620' ' ' GLY . . . . . . . . . . . . . . . 160.44 -113.98 0.59 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.526 1.141 . . . . 51.31 111.029 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 621' ' ' LEU . . . . . 0.487 ' C ' ' CD2' ' A' ' 621' ' ' LEU . 0.0 OUTLIER -148.45 160.85 42.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 0.782 . . . . 74.0 109.301 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 622' ' ' GLN . . . . . 0.458 ' OE1' ' CE ' ' A' ' 629' ' ' LYS . 0.8 OUTLIER -89.37 131.92 35.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 75.15 110.293 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 623' ' ' MET . . . . . 0.565 ' HG3' ' CH2' ' A' ' 604' ' ' TRP . 9.9 mmt -106.23 142.34 36.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 54.32 110.974 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 624' ' ' ILE . . . . . 0.52 ' CD1' ' N ' ' A' ' 624' ' ' ILE . 2.7 mp -118.94 111.98 35.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 75.55 109.311 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 625' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -119.78 112.4 19.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 74.11 110.978 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 626' ' ' LYS . . . . . 0.509 ' O ' ' CB ' ' A' ' 627' ' ' SER . 6.4 mmpt? 65.32 17.31 10.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 73.23 109.32 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 627' ' ' SER . . . . . 0.509 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.1 p 87.3 40.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 63.3 109.984 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 628' ' ' VAL . . . . . 0.468 HG11 ' CG ' ' A' ' 630' ' ' LEU . 79.1 t -122.18 119.51 58.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 71.42 109.309 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 629' ' ' LYS . . . . . 0.458 ' CE ' ' OE1' ' A' ' 622' ' ' GLN . 6.8 mmmm -74.8 100.27 3.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 64.54 109.291 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 630' ' ' LEU . . . . . 0.468 ' CG ' HG11 ' A' ' 628' ' ' VAL . 27.1 mt -124.1 111.95 28.55 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 75.01 109.322 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 631' ' ' PRO . . . . . 0.407 ' HB3' ' CD1' ' A' ' 610' ' ' ILE . 18.4 Cg_endo -74.94 138.91 23.82 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.508 1.794 . . . . 72.15 111.009 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 632' ' ' VAL . . . . . 0.517 ' CG2' ' CG1' ' A' ' 578' ' ' VAL . 23.0 t -106.46 113.75 43.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 72.42 109.299 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 633' ' ' LEU . . . . . 0.539 ' CD1' ' N ' ' A' ' 633' ' ' LEU . 0.0 OUTLIER -113.96 171.64 7.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 73.21 109.267 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 634' ' ' LYS . . . . . 0.454 ' NZ ' ' OG ' ' A' ' 637' ' ' SER . 11.0 mtmm -102.53 -174.13 2.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 73.04 109.292 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 635' ' ' VAL . . . . . 0.522 ' HB ' ' CD2' ' A' ' 652' ' ' TRP . 14.9 p -107.0 -20.34 6.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 75.01 109.252 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 636' ' ' ARG . . . . . . . . . . . . . 6.9 ptp180 -82.31 -23.09 35.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 73.1 110.275 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 637' ' ' SER . . . . . 0.454 ' OG ' ' NZ ' ' A' ' 634' ' ' LYS . 3.6 m -96.05 -9.01 31.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 74.12 109.985 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 638' ' ' MET . . . . . 0.587 ' CE ' ' CE2' ' A' ' 619' ' ' TRP . 32.6 mmt -109.43 137.46 47.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 63.54 110.97 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 639' ' ' LEU . . . . . 0.458 ' CD2' ' HD2' ' A' ' 646' ' ' ARG . 11.6 tp -101.27 141.26 34.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 75.32 109.328 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 640' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -109.95 90.99 3.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 74.12 109.263 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -74.92 123.74 25.64 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.475 1.11 . . . . 74.42 110.301 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 642' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.82 160.13 68.96 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 73.4 110.419 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 2.82 6.19 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.478 1.778 . . . . 73.12 110.983 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -113.9 -4.93 13.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 75.3 110.314 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 127.6 142.95 5.62 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.483 1.114 . . . . 44.15 110.962 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 646' ' ' ARG . . . . . 0.458 ' HD2' ' CD2' ' A' ' 639' ' ' LEU . 57.3 mtm-85 -57.77 149.74 21.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 0.729 . . . . 74.31 110.333 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 647' ' ' ILE . . . . . . . . . . . . . 48.9 mt -136.83 127.1 39.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 72.41 109.295 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 648' ' ' GLN . . . . . 0.474 ' CG ' HG22 ' A' ' 557' ' ' ILE . 0.3 OUTLIER -128.28 112.31 14.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 75.1 110.329 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 649' ' ' ALA . . . . . 0.443 ' CB ' ' HB2' ' A' ' 654' ' ' ARG . . . -112.85 154.22 26.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 73.42 109.304 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 7.9 mttm -90.04 -8.03 52.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 63.54 109.321 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 651' ' ' LYS . . . . . 0.442 ' C ' ' CG1' ' A' ' 635' ' ' VAL . 0.0 OUTLIER -138.74 153.69 48.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 74.14 109.32 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 652' ' ' TRP . . . . . 0.744 ' CD2' ' CD2' ' A' ' 577' ' ' HIS . 59.7 m95 -75.77 -9.86 58.95 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.96 -1.126 . . . . 74.51 107.96 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 7.8 t -65.27 -11.06 37.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 74.01 109.996 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 654' ' ' ARG . . . . . 0.443 ' HB2' ' CB ' ' A' ' 649' ' ' ALA . 7.3 mmt85 -105.64 -12.4 15.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 73.0 110.317 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 655' ' ' VAL . . . . . 0.57 HG13 ' CZ ' ' A' ' 657' ' ' PHE . 6.2 t -40.33 111.13 0.73 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 73.13 109.272 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 656' ' ' PRO . . . . . 0.524 ' HB2' ' CG ' ' A' ' 547' ' ' PHE . 18.3 Cg_endo -75.03 -29.75 7.85 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.489 1.784 . . . . 75.14 110.955 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 657' ' ' PHE . . . . . 0.57 ' CZ ' HG13 ' A' ' 655' ' ' VAL . 54.4 p90 -84.47 164.84 18.58 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.496 1.123 . . . . 65.14 110.963 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.69 150.17 23.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 73.51 109.987 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 659' ' ' VAL . . . . . 0.497 HG22 ' CE2' ' A' ' 657' ' ' PHE . 1.8 t -141.73 100.89 6.02 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 75.45 109.341 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 660' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 166.79 28.4 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.528 1.804 . . . . 72.34 110.975 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -89.89 151.42 21.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 73.23 109.3 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 662' ' ' PHE . . . . . 0.697 ' CD1' ' CZ ' ' A' ' 570' ' ' ARG . 1.9 t80 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 75.51 110.995 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 546' ' ' GLN . . . . . 0.535 ' C ' ' CD1' ' A' ' 547' ' ' PHE . 23.2 mt-30 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.314 -0.254 . . . . 64.33 110.314 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 547' ' ' PHE . . . . . 0.535 ' CD1' ' C ' ' A' ' 546' ' ' GLN . 0.5 OUTLIER -153.79 102.78 2.5 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 71.1 111.002 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 548' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 144.8 30.54 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.553 1.818 . . . . 64.24 110.979 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 549' ' ' VAL . . . . . 0.419 HG22 ' N ' ' A' ' 550' ' ' GLU . 28.9 m -51.17 -44.08 28.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 72.12 109.288 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 550' ' ' GLU . . . . . 0.419 ' N ' HG22 ' A' ' 549' ' ' VAL . 3.7 pt-20 -53.43 -29.56 35.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 72.03 110.316 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 8.6 m170 -89.13 -22.93 22.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 72.44 109.598 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 552' ' ' VAL . . . . . 0.558 HG11 ' CD1' ' A' ' 657' ' ' PHE . 42.8 t -91.86 126.5 44.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 65.22 109.253 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 553' ' ' GLN . . . . . 0.579 ' OE1' ' CE1' ' A' ' 565' ' ' HIS . 8.9 tt0 -112.28 148.67 33.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 74.54 110.303 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 1.3 mt -90.91 111.19 22.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 74.1 109.309 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 555' ' ' LEU . . . . . 0.476 HD22 ' N ' ' A' ' 562' ' ' ALA . 0.2 OUTLIER -133.28 177.21 7.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 74.12 109.291 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 556' ' ' CYS . . . . . 0.538 ' O ' ' N ' ' A' ' 560' ' ' MET . 5.4 t -102.35 101.42 11.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.009 -0.996 . . . . 70.44 110.915 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 557' ' ' ILE . . . . . 0.495 ' C ' ' O ' ' A' ' 556' ' ' CYS . 1.4 pt -33.08 -36.5 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.113 . . . . 72.43 109.276 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 558' ' ' ASN . . . . . 0.516 ' N ' ' O ' ' A' ' 556' ' ' CYS . 2.7 m120 -73.95 -61.5 1.83 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 72.12 109.276 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 559' ' ' CYS . . . . . 1.129 ' CB ' ' SG ' ' A' ' 615' ' ' CYS . 3.9 m -77.75 -69.89 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 72.44 108.32 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 560' ' ' MET . . . . . 0.538 ' N ' ' O ' ' A' ' 556' ' ' CYS . 24.8 mtm 78.55 47.07 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 74.2 111.014 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 561' ' ' VAL . . . . . 0.516 ' O ' ' CB ' ' A' ' 562' ' ' ALA . 1.1 m -108.07 -5.27 10.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 71.45 109.303 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 562' ' ' ALA . . . . . 0.516 ' CB ' ' O ' ' A' ' 561' ' ' VAL . . . 85.27 100.52 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 64.34 109.278 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 563' ' ' VAL . . . . . 0.499 HG11 ' CD1' ' A' ' 587' ' ' TYR . 2.2 m -98.19 -7.11 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 64.13 109.309 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -179.87 -161.05 26.42 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 72.4 111.011 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 565' ' ' HIS . . . . . 0.579 ' CE1' ' OE1' ' A' ' 553' ' ' GLN . 48.1 m-70 -123.77 147.08 47.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 0.79 . . . . 74.31 109.552 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . -74.13 -2.8 63.18 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.543 1.152 . . . . 64.21 111.01 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 567' ' ' SER . . . . . 0.404 ' CB ' HG22 ' A' ' 549' ' ' VAL . 12.7 p -114.95 11.93 16.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 0.775 . . . . 74.1 109.968 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -112.06 -16.44 13.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 73.31 109.305 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 569' ' ' LEU . . . . . 0.498 ' C ' ' CD1' ' A' ' 569' ' ' LEU . 0.1 OUTLIER -91.14 164.65 13.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 70.11 109.305 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 570' ' ' ARG . . . . . 0.564 ' NH1' ' CG2' ' A' ' 572' ' ' VAL . 0.2 OUTLIER -146.75 -176.77 5.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 72.33 110.27 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 571' ' ' LYS . . . . . 0.543 ' HE2' ' CE1' ' A' ' 577' ' ' HIS . 23.2 ttmt -111.74 159.26 18.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 73.22 109.307 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 572' ' ' VAL . . . . . 0.564 ' CG2' ' NH1' ' A' ' 570' ' ' ARG . 2.2 t -124.18 105.37 15.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 73.21 109.288 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 573' ' ' GLU . . . . . 0.408 ' CG ' ' O ' ' A' ' 572' ' ' VAL . 9.2 pt-20 43.57 36.34 1.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 74.45 110.295 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 574' ' ' GLY . . . . . 0.435 ' HA2' ' CD ' ' A' ' 571' ' ' LYS . . . 43.83 46.94 7.68 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.427 1.079 . . . . 74.4 110.982 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 2.0 m -114.54 -50.33 2.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 0.768 . . . . 75.3 110.444 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 5.1 m80 -157.52 117.18 3.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.138 . . . . 73.33 109.649 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 577' ' ' HIS . . . . . 0.543 ' CE1' ' HE2' ' A' ' 571' ' ' LYS . 35.9 m-70 -49.64 157.7 0.52 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 71.31 109.601 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 578' ' ' VAL . . . . . 0.471 ' CG1' HG22 ' A' ' 632' ' ' VAL . 0.2 OUTLIER -158.34 129.18 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 71.14 109.262 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 579' ' ' ASN . . . . . 0.569 ' OD1' ' CE1' ' A' ' 584' ' ' PHE . 2.6 t-20 -98.78 113.16 25.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 70.31 109.29 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 580' ' ' VAL . . . . . 0.464 HG11 ' CD2' ' A' ' 630' ' ' LEU . 2.7 t -87.22 131.92 33.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 73.22 109.248 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 581' ' ' ASN . . . . . 0.425 ' CB ' ' HB2' ' A' ' 584' ' ' PHE . 4.4 m120 -179.78 131.58 0.26 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 74.25 109.314 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 582' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -33.93 4.28 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.482 1.78 . . . . 63.33 111.039 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 583' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -78.46 -1.63 34.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 75.33 109.258 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 584' ' ' PHE . . . . . 0.569 ' CE1' ' OD1' ' A' ' 579' ' ' ASN . 3.3 t80 -73.78 -30.96 63.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 72.33 111.007 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 585' ' ' SER . . . . . 0.562 ' HA ' ' CE2' ' A' ' 588' ' ' TYR . 7.3 t -62.41 -21.99 65.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 70.1 109.939 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -87.11 -12.63 46.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 74.51 109.266 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 587' ' ' TYR . . . . . 0.499 ' CD1' HG11 ' A' ' 563' ' ' VAL . 6.1 m-85 -97.53 4.12 50.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 75.41 110.962 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 588' ' ' TYR . . . . . 0.574 ' CD1' ' C ' ' A' ' 588' ' ' TYR . 1.9 p90 -163.61 156.78 18.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 72.04 111.037 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 589' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -126.47 126.91 44.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.081 . . . . 64.33 109.305 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 590' ' ' VAL . . . . . 0.474 ' CG1' ' HA3' ' A' ' 608' ' ' GLY . 10.5 t -72.66 136.44 25.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 72.13 109.295 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 7.2 t . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 74.43 110.016 -179.981 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 604' ' ' TRP . . . . . 0.51 ' CE2' ' HE3' ' A' ' 623' ' ' MET . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 108.01 -1.107 . . . . 71.4 108.01 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 605' ' ' LYS . . . . . . . . . . . . . 7.4 ptpt -119.69 163.25 28.52 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 74.13 109.322 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 606' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 143.91 29.62 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.479 1.778 . . . . 75.15 110.964 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 607' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 622' ' ' GLN . . . -117.48 -83.98 0.99 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.474 1.109 . . . . 72.33 111.023 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 608' ' ' GLY . . . . . 0.474 ' HA3' ' CG1' ' A' ' 590' ' ' VAL . . . -163.35 150.11 18.45 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.011 -0.836 . . . . 72.02 111.011 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 10.7 t -58.18 133.44 23.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 0.785 . . . . 73.11 109.297 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 610' ' ' ILE . . . . . 0.537 ' CG2' ' CD1' ' A' ' 588' ' ' TYR . 0.6 OUTLIER -103.18 149.64 7.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 74.42 109.26 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 1.1 t -149.3 146.32 27.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 71.34 109.989 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 612' ' ' CYS . . . . . 0.458 ' O ' ' N ' ' A' ' 616' ' ' GLY . 20.1 t -66.41 119.43 11.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 70.33 108.279 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 10.7 ttt-85 -72.92 -24.29 60.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 74.42 110.317 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 614' ' ' ASN . . . . . 0.425 ' ND2' HG21 ' A' ' 561' ' ' VAL . 90.4 m-20 -70.08 -32.1 70.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 63.21 109.294 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 615' ' ' CYS . . . . . 1.129 ' SG ' ' CB ' ' A' ' 559' ' ' CYS . 1.7 m -129.56 -74.04 0.56 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 74.11 108.328 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 616' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 152.42 -20.93 0.83 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.493 1.121 . . . . 45.43 111.039 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -42.77 112.04 0.32 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 0.76 . . . . 73.5 110.286 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 3.3 t -49.42 141.87 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 74.53 109.314 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 619' ' ' TRP . . . . . 0.551 ' CE2' ' CE ' ' A' ' 638' ' ' MET . 29.6 m0 -106.47 -31.01 8.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 75.51 108.028 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 620' ' ' GLY . . . . . . . . . . . . . . . 150.61 -118.93 0.96 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.484 1.115 . . . . 41.12 111.015 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 621' ' ' LEU . . . . . 0.472 ' CA ' HG13 ' A' ' 610' ' ' ILE . 0.0 OUTLIER -146.27 162.34 38.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 0.738 . . . . 73.22 109.294 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 622' ' ' GLN . . . . . 0.447 ' O ' ' CD2' ' A' ' 621' ' ' LEU . 0.4 OUTLIER -96.0 134.47 38.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 71.42 110.307 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 623' ' ' MET . . . . . 0.51 ' HE3' ' CE2' ' A' ' 604' ' ' TRP . 4.6 mmt -115.86 150.3 37.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 73.2 111.024 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 624' ' ' ILE . . . . . 0.528 ' CD1' ' N ' ' A' ' 624' ' ' ILE . 2.4 mp -119.25 119.01 59.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 73.51 109.325 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 625' ' ' TYR . . . . . 0.527 ' C ' ' CD1' ' A' ' 625' ' ' TYR . 0.2 OUTLIER -123.63 111.47 16.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 74.24 110.998 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 626' ' ' LYS . . . . . 0.487 ' O ' ' CB ' ' A' ' 627' ' ' SER . 0.7 OUTLIER 61.8 21.18 12.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 75.14 109.294 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 627' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.2 p 85.37 41.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 74.34 109.974 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 628' ' ' VAL . . . . . 0.474 HG11 ' CD1' ' A' ' 630' ' ' LEU . 54.0 t -127.9 107.9 17.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 72.41 109.293 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 3.7 mmmm -66.45 99.28 0.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 75.44 109.283 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 630' ' ' LEU . . . . . 0.474 ' CD1' HG11 ' A' ' 628' ' ' VAL . 4.9 mt -118.59 112.76 36.9 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 75.25 109.324 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 631' ' ' PRO . . . . . 0.451 ' HB3' ' CD1' ' A' ' 610' ' ' ILE . 18.3 Cg_endo -74.98 146.99 33.41 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.463 1.77 . . . . 72.31 111.008 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 632' ' ' VAL . . . . . 0.48 ' C ' ' CD1' ' A' ' 633' ' ' LEU . 30.0 t -111.93 111.95 38.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 55.01 109.302 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 633' ' ' LEU . . . . . 0.582 ' CD1' ' N ' ' A' ' 633' ' ' LEU . 0.0 OUTLIER -112.34 171.59 7.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 73.01 109.299 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 634' ' ' LYS . . . . . 0.475 ' CE ' ' CG ' ' A' ' 636' ' ' ARG . 0.0 OUTLIER -114.34 179.29 3.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 72.01 109.302 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 635' ' ' VAL . . . . . 0.498 ' CG1' ' O ' ' A' ' 650' ' ' LYS . 10.7 p -93.6 -42.57 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 72.52 109.297 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 636' ' ' ARG . . . . . 0.475 ' CG ' ' CE ' ' A' ' 634' ' ' LYS . 0.2 OUTLIER -58.83 -15.51 12.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 73.31 110.304 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 27.2 t -106.44 -15.28 14.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 73.04 109.975 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 638' ' ' MET . . . . . 0.551 ' CE ' ' CE2' ' A' ' 619' ' ' TRP . 32.7 mmt -109.75 132.75 53.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 74.12 111.023 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 639' ' ' LEU . . . . . 0.483 ' CD1' ' HA ' ' A' ' 557' ' ' ILE . 1.2 tt -98.68 150.45 21.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 72.33 109.266 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 640' ' ' LEU . . . . . 0.48 HD11 ' CE1' ' A' ' 657' ' ' PHE . 1.7 mm? -113.08 93.42 4.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 75.24 109.305 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . 0.449 ' HB2' ' CD1' ' A' ' 555' ' ' LEU . 7.9 mt-10 -73.98 119.58 18.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 64.25 110.301 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 642' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.34 159.91 62.89 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 73.42 110.411 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 1.83 7.32 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.502 1.791 . . . . 75.44 110.996 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -108.91 -5.59 16.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 63.23 110.304 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 128.45 145.06 5.94 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.476 1.11 . . . . 51.32 111.0 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 47.4 mtm-85 -58.44 145.62 37.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 0.766 . . . . 74.32 110.306 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 647' ' ' ILE . . . . . . . . . . . . . 53.1 mt -136.26 137.34 48.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 71.04 109.264 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 648' ' ' GLN . . . . . 0.457 ' CG ' HG22 ' A' ' 557' ' ' ILE . 0.2 OUTLIER -131.96 110.47 10.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 73.52 110.282 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 649' ' ' ALA . . . . . . . . . . . . . . . -106.33 165.57 11.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 73.13 109.304 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 650' ' ' LYS . . . . . 0.498 ' O ' ' CG1' ' A' ' 635' ' ' VAL . 0.0 OUTLIER -104.59 -38.32 6.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 71.34 109.299 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 651' ' ' LYS . . . . . 0.41 ' N ' ' HD3' ' A' ' 651' ' ' LYS . 0.0 OUTLIER -111.49 145.41 39.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 74.44 109.301 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 652' ' ' TRP . . . . . 0.497 ' CG ' ' CD2' ' A' ' 577' ' ' HIS . 67.2 m95 -69.03 -10.26 56.67 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.989 -1.115 . . . . 74.03 107.989 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 2.5 t -71.46 -18.19 62.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 74.22 110.005 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 654' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 655' ' ' VAL . 3.1 mmm180 -100.61 -21.38 15.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 72.4 110.29 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 655' ' ' VAL . . . . . 0.587 HG11 ' CZ ' ' A' ' 657' ' ' PHE . 2.2 t -39.86 126.88 1.57 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 73.33 109.326 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 656' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -50.3 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.468 1.773 . . . . 75.55 111.005 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 657' ' ' PHE . . . . . 0.587 ' CZ ' HG11 ' A' ' 655' ' ' VAL . 44.9 p90 -65.47 159.46 24.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 72.25 111.004 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 7.1 m -90.31 150.06 22.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 70.01 109.997 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 659' ' ' VAL . . . . . 0.568 HG21 ' CE2' ' A' ' 657' ' ' PHE . 2.1 t -134.23 95.3 16.77 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 72.3 109.316 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 660' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 148.43 35.09 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.484 1.781 . . . . 64.05 111.01 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -63.8 160.01 18.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 71.12 109.286 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 662' ' ' PHE . . . . . . . . . . . . . 41.6 t80 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 75.44 110.992 -179.943 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 546' ' ' GLN . . . . . 0.548 ' C ' ' CD1' ' A' ' 547' ' ' PHE . 11.8 mt-30 . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.294 -0.262 . . . . 75.52 110.294 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 547' ' ' PHE . . . . . 0.624 ' CD1' ' N ' ' A' ' 547' ' ' PHE . 0.2 OUTLIER -148.27 100.55 3.6 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.127 . . . . 74.33 111.046 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 548' ' ' PRO . . . . . 0.424 ' HB2' ' CG ' ' A' ' 550' ' ' GLU . 18.3 Cg_endo -74.97 139.31 24.21 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.513 1.796 . . . . 73.43 111.041 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 27.9 m -49.24 -41.41 14.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 75.03 109.26 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 550' ' ' GLU . . . . . 0.424 ' CG ' ' HB2' ' A' ' 548' ' ' PRO . 4.3 pt-20 -56.45 -33.85 66.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 73.32 110.29 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -85.35 -17.08 37.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 75.12 109.59 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 552' ' ' VAL . . . . . . . . . . . . . 42.4 t -95.18 122.16 46.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 73.3 109.284 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -109.1 150.69 27.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 73.44 110.307 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -91.4 113.31 25.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 74.15 109.334 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 555' ' ' LEU . . . . . 0.452 HD21 ' N ' ' A' ' 562' ' ' ALA . 0.4 OUTLIER -134.46 -178.51 5.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 71.44 109.302 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 556' ' ' CYS . . . . . 0.597 ' O ' ' N ' ' A' ' 560' ' ' MET . 4.3 t -108.06 108.07 19.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.995 -1.002 . . . . 74.1 110.915 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 557' ' ' ILE . . . . . 0.477 HG22 ' CG ' ' A' ' 648' ' ' GLN . 1.1 pt -36.51 -32.36 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 75.11 109.283 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 558' ' ' ASN . . . . . 0.492 ' N ' ' O ' ' A' ' 556' ' ' CYS . 8.1 m-20 -83.85 -65.38 1.02 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.565 1.165 . . . . 72.53 109.284 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 559' ' ' CYS . . . . . 1.213 ' CB ' ' SG ' ' A' ' 615' ' ' CYS . 3.3 m -65.38 -64.48 0.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 64.55 108.344 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 560' ' ' MET . . . . . 0.597 ' N ' ' O ' ' A' ' 556' ' ' CYS . 10.1 mtm 67.44 42.97 2.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.106 . . . . 75.52 111.016 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 561' ' ' VAL . . . . . 0.48 ' O ' ' CB ' ' A' ' 562' ' ' ALA . 1.0 OUTLIER -111.22 -2.0 10.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 73.33 109.276 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 562' ' ' ALA . . . . . 0.48 ' CB ' ' O ' ' A' ' 561' ' ' VAL . . . 82.66 108.09 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 74.01 109.287 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 563' ' ' VAL . . . . . 0.481 HG13 ' CD1' ' A' ' 587' ' ' TYR . 1.1 m -106.16 -7.38 10.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 73.35 109.269 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -179.04 -159.66 23.61 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.52 1.137 . . . . 52.31 111.043 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 565' ' ' HIS . . . . . . . . . . . . . 28.1 m80 -126.14 147.72 49.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 0.771 . . . . 74.24 109.592 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 566' ' ' GLY . . . . . 0.44 ' O ' ' CD1' ' A' ' 569' ' ' LEU . . . -74.95 -17.03 80.25 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.501 1.126 . . . . 71.32 111.008 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 8.8 t -101.85 9.61 40.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 0.746 . . . . 73.31 110.0 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -111.69 -17.74 12.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 74.32 109.289 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 569' ' ' LEU . . . . . 0.474 ' C ' ' CD1' ' A' ' 569' ' ' LEU . 0.2 OUTLIER -85.55 162.72 18.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 74.43 109.257 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 570' ' ' ARG . . . . . 0.447 ' CB ' ' O ' ' A' ' 660' ' ' PRO . 0.0 OUTLIER -155.93 149.13 24.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 74.5 110.314 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 571' ' ' LYS . . . . . 0.484 ' HE2' ' CE1' ' A' ' 577' ' ' HIS . 17.8 ttmt -74.0 158.66 33.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 71.24 109.272 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 572' ' ' VAL . . . . . 0.432 ' CG2' HG21 ' A' ' 578' ' ' VAL . 2.2 t -119.3 107.98 22.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 74.33 109.299 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 573' ' ' GLU . . . . . 0.421 ' CG ' ' O ' ' A' ' 572' ' ' VAL . 11.4 pt-20 43.89 36.02 1.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 75.35 110.296 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 47.07 48.57 19.43 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.554 1.159 . . . . 52.23 111.032 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 2.0 m -116.21 -44.76 2.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 0.772 . . . . 72.32 110.376 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 6.0 m80 -164.14 140.7 6.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 75.32 109.591 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 577' ' ' HIS . . . . . 0.694 ' CG ' ' CE3' ' A' ' 652' ' ' TRP . 40.6 m-70 -66.4 129.69 40.68 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.491 1.119 . . . . 73.41 109.629 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 578' ' ' VAL . . . . . 0.432 HG21 ' CG2' ' A' ' 572' ' ' VAL . 4.4 m -134.76 125.14 45.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 74.41 109.351 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 579' ' ' ASN . . . . . 0.465 ' HB3' ' CD2' ' A' ' 633' ' ' LEU . 2.1 t-20 -94.21 118.61 31.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 71.53 109.304 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 580' ' ' VAL . . . . . 0.471 HG12 ' CD2' ' A' ' 630' ' ' LEU . 3.7 t -91.3 138.23 20.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 71.21 109.311 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 581' ' ' ASN . . . . . 0.477 HD22 ' ND2' ' A' ' 583' ' ' ASN . 23.5 t-20 173.14 130.89 0.1 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 63.4 109.303 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 582' ' ' PRO . . . . . 0.424 ' HD2' ' ND2' ' A' ' 581' ' ' ASN . 18.2 Cg_endo -75.0 -25.93 11.4 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.532 1.806 . . . . 73.12 110.992 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 583' ' ' ASN . . . . . 0.477 ' ND2' HD22 ' A' ' 581' ' ' ASN . 0.2 OUTLIER -80.14 -0.6 36.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 65.3 109.291 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 584' ' ' PHE . . . . . 0.491 ' O ' ' CD2' ' A' ' 588' ' ' TYR . 2.2 t80 -78.1 -28.74 48.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 70.12 111.004 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 11.3 p -60.08 -27.41 66.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.09 . . . . 64.1 109.946 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -87.22 -11.64 49.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 71.51 109.28 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 587' ' ' TYR . . . . . 0.481 ' CD1' HG13 ' A' ' 563' ' ' VAL . 2.8 m-85 -97.99 5.14 49.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 74.44 111.015 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 588' ' ' TYR . . . . . 0.676 ' CD1' ' CG2' ' A' ' 610' ' ' ILE . 1.0 OUTLIER -168.14 158.9 10.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 73.51 111.029 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 589' ' ' ASN . . . . . 0.483 ' N ' ' ND2' ' A' ' 589' ' ' ASN . 0.0 OUTLIER -135.57 121.85 20.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.459 1.099 . . . . 74.33 109.31 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 67.1 t -72.45 149.65 8.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 74.24 109.328 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 4.2 t . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 75.25 109.993 -179.963 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 604' ' ' TRP . . . . . 0.535 ' CH2' HG21 ' A' ' 632' ' ' VAL . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 107.991 -1.115 . . . . 74.02 107.991 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 605' ' ' LYS . . . . . 0.403 ' O ' ' SD ' ' A' ' 623' ' ' MET . 6.5 ptpt -92.13 163.41 27.3 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 73.53 109.309 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 606' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 161.09 39.19 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.513 1.797 . . . . 74.13 111.015 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 607' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 622' ' ' GLN . . . -123.55 -59.62 0.19 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.539 1.149 . . . . 71.25 110.989 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 608' ' ' GLY . . . . . . . . . . . . . . . 148.23 148.23 4.7 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.021 -0.832 . . . . 65.24 111.021 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 609' ' ' VAL . . . . . 0.411 ' CG1' HG12 ' A' ' 618' ' ' VAL . 11.8 t -56.27 131.23 19.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.535 0.785 . . . . 73.44 109.339 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 610' ' ' ILE . . . . . 0.676 ' CG2' ' CD1' ' A' ' 588' ' ' TYR . 0.8 OUTLIER -103.68 143.92 14.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 75.41 109.309 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -137.07 118.35 14.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 72.5 109.979 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 612' ' ' CYS . . . . . 0.483 ' HB2' ' CE2' ' A' ' 619' ' ' TRP . 42.2 t -49.01 118.45 2.63 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.502 1.126 . . . . 72.42 108.301 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -67.61 -28.83 68.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.577 1.173 . . . . 71.14 110.305 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 614' ' ' ASN . . . . . 0.4 ' ND2' HG11 ' A' ' 563' ' ' VAL . 47.7 m-20 -65.8 -39.36 90.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 71.14 109.286 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 615' ' ' CYS . . . . . 1.213 ' SG ' ' CB ' ' A' ' 559' ' ' CYS . 0.0 OUTLIER -123.47 -76.15 0.59 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 62.23 108.323 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 616' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 148.77 -18.28 1.25 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.493 1.121 . . . . 72.21 110.961 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -42.7 102.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 0.74 . . . . 75.11 110.258 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 618' ' ' VAL . . . . . 0.411 HG12 ' CG1' ' A' ' 609' ' ' VAL . 86.2 t -55.66 109.31 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.171 . . . . 74.43 109.335 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 619' ' ' TRP . . . . . 0.527 ' NE1' ' CE ' ' A' ' 638' ' ' MET . 30.3 m0 -66.9 -54.75 19.08 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.973 -1.121 . . . . 74.22 107.973 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 620' ' ' GLY . . . . . . . . . . . . . . . -178.82 -96.83 0.1 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.515 1.134 . . . . 60.44 111.008 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 621' ' ' LEU . . . . . 0.535 ' C ' ' CD2' ' A' ' 621' ' ' LEU . 0.0 OUTLIER -162.74 170.72 17.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 0.761 . . . . 71.43 109.321 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 622' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 607' ' ' GLY . 0.6 OUTLIER -101.9 157.62 16.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 75.15 110.295 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 623' ' ' MET . . . . . 0.513 ' SD ' ' CE2' ' A' ' 604' ' ' TRP . 9.8 mmt -140.83 149.87 42.56 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.51 1.132 . . . . 71.22 110.993 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 624' ' ' ILE . . . . . 0.529 ' CD1' ' N ' ' A' ' 624' ' ' ILE . 2.7 mp -121.46 124.97 72.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 73.44 109.271 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 625' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -131.82 111.65 11.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 74.21 111.017 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 626' ' ' LYS . . . . . 0.507 ' O ' ' CB ' ' A' ' 627' ' ' SER . 0.0 OUTLIER 63.74 21.35 12.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 73.44 109.305 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 627' ' ' SER . . . . . 0.507 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.2 p 85.66 37.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 63.15 109.955 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 628' ' ' VAL . . . . . 0.512 ' CG1' ' CD2' ' A' ' 630' ' ' LEU . 54.6 t -124.9 114.38 40.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 71.31 109.27 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 3.4 mmmm -75.31 100.35 4.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 74.14 109.286 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 630' ' ' LEU . . . . . 0.567 HD12 ' CD2' ' A' ' 662' ' ' PHE . 32.6 mt -119.0 111.63 37.0 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 74.32 109.274 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 631' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 138.51 23.05 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.494 1.786 . . . . 70.03 110.987 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 632' ' ' VAL . . . . . 0.535 HG21 ' CH2' ' A' ' 604' ' ' TRP . 31.0 t -100.09 89.08 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 74.12 109.267 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 633' ' ' LEU . . . . . 0.484 HD21 ' CE2' ' A' ' 584' ' ' PHE . 0.1 OUTLIER -91.3 171.35 9.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 74.22 109.285 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 634' ' ' LYS . . . . . 0.581 ' CE ' ' CG ' ' A' ' 636' ' ' ARG . 1.5 ptmt -111.63 -171.39 1.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 75.51 109.324 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 635' ' ' VAL . . . . . 0.565 HG11 ' CD1' ' A' ' 652' ' ' TRP . 1.3 p -106.74 -44.31 7.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 74.22 109.259 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 636' ' ' ARG . . . . . 0.581 ' CG ' ' CE ' ' A' ' 634' ' ' LYS . 2.9 ptp180 -60.15 -14.49 17.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 73.41 110.266 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 1.6 t -108.47 -16.11 14.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 72.11 109.988 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 638' ' ' MET . . . . . 0.527 ' CE ' ' NE1' ' A' ' 619' ' ' TRP . 34.9 mmt -106.41 122.35 46.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 71.35 110.981 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 639' ' ' LEU . . . . . 0.478 HD12 ' CG ' ' A' ' 646' ' ' ARG . 0.3 OUTLIER -86.29 146.71 26.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 73.23 109.355 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 640' ' ' LEU . . . . . 0.422 ' N ' HD13 ' A' ' 639' ' ' LEU . 12.5 mt -114.33 95.47 5.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 71.12 109.331 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -73.93 126.19 29.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 73.42 110.277 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 642' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -138.83 159.98 64.93 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 74.55 110.38 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 1.22 8.01 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.509 1.794 . . . . 74.02 111.015 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 644' ' ' GLN . . . . . 0.433 ' NE2' ' O ' ' A' ' 546' ' ' GLN . 20.2 mt-30 -105.41 -10.67 16.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 73.42 110.285 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 124.46 134.69 4.28 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.514 1.134 . . . . 73.53 111.003 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 646' ' ' ARG . . . . . 0.478 ' CG ' HD12 ' A' ' 639' ' ' LEU . 7.2 mtm105 -44.31 148.84 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 0.729 . . . . 74.14 110.316 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 647' ' ' ILE . . . . . . . . . . . . . 20.9 mt -138.72 138.82 41.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 75.34 109.296 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 648' ' ' GLN . . . . . 0.477 ' CG ' HG22 ' A' ' 557' ' ' ILE . 0.1 OUTLIER -135.13 110.78 9.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 71.14 110.292 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 649' ' ' ALA . . . . . 0.418 ' CB ' ' HB2' ' A' ' 654' ' ' ARG . . . -106.54 165.72 11.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 72.12 109.319 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 11.9 mmtt -96.82 -32.77 11.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 74.21 109.302 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 18.7 mmmt -124.29 144.52 49.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 74.54 109.289 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 652' ' ' TRP . . . . . 0.694 ' CE3' ' CG ' ' A' ' 577' ' ' HIS . 42.5 m95 -61.53 -17.04 53.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 72.44 108.002 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 12.6 t -63.21 -12.97 32.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 73.4 110.016 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 654' ' ' ARG . . . . . 0.418 ' HB2' ' CB ' ' A' ' 649' ' ' ALA . 10.4 mmt180 -104.91 -26.62 12.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 75.13 110.3 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 655' ' ' VAL . . . . . 0.581 HG13 ' CE2' ' A' ' 657' ' ' PHE . 2.2 t -42.01 129.38 2.61 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.102 . . . . 71.02 109.289 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 656' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -52.76 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.49 1.784 . . . . 74.12 110.982 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 657' ' ' PHE . . . . . 0.581 ' CE2' HG13 ' A' ' 655' ' ' VAL . 18.0 p90 -61.7 149.12 40.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.439 1.087 . . . . 72.32 110.944 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -84.71 146.37 27.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 73.41 109.992 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 659' ' ' VAL . . . . . 0.526 HG22 ' CE1' ' A' ' 657' ' ' PHE . 1.7 t -122.75 96.52 45.28 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 63.25 109.271 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 660' ' ' PRO . . . . . 0.447 ' O ' ' CB ' ' A' ' 570' ' ' ARG . 18.3 Cg_endo -75.0 147.38 33.85 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.474 1.776 . . . . 71.43 111.035 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 10.0 p30 -59.08 162.56 4.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 74.42 109.34 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 662' ' ' PHE . . . . . 0.567 ' CD2' HD12 ' A' ' 630' ' ' LEU . 29.8 t80 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 74.21 110.985 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 546' ' ' GLN . . . . . 0.539 ' O ' ' CG ' ' A' ' 547' ' ' PHE . 5.6 mt-30 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.277 -0.268 . . . . 72.42 110.277 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 547' ' ' PHE . . . . . 0.539 ' CG ' ' O ' ' A' ' 546' ' ' GLN . 93.8 m-85 -163.13 96.06 1.09 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 71.42 111.0 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 548' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 145.04 31.03 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.471 1.774 . . . . 73.11 111.044 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 28.0 m -54.92 -43.97 70.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.108 . . . . 75.11 109.285 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -57.1 -18.68 15.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 74.44 110.267 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -101.48 -22.89 14.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 74.1 109.601 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 552' ' ' VAL . . . . . 0.464 ' CG2' ' HB3' ' A' ' 657' ' ' PHE . 55.3 t -88.78 129.67 39.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 73.44 109.338 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -117.86 148.76 41.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 74.1 110.32 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 1.2 mt -92.06 114.08 26.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 74.21 109.303 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 555' ' ' LEU . . . . . 0.465 HD23 ' N ' ' A' ' 562' ' ' ALA . 0.2 OUTLIER -135.06 177.26 7.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 71.52 109.314 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 556' ' ' CYS . . . . . 0.545 ' O ' ' N ' ' A' ' 560' ' ' MET . 5.3 t -102.51 102.55 12.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.013 -0.994 . . . . 73.32 110.881 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 557' ' ' ILE . . . . . 0.491 ' HA ' ' CD1' ' A' ' 639' ' ' LEU . 1.3 pt -34.65 -34.21 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 73.14 109.299 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 558' ' ' ASN . . . . . 0.515 ' N ' ' O ' ' A' ' 556' ' ' CYS . 5.1 m-20 -73.95 -62.02 1.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 74.41 109.311 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 559' ' ' CYS . . . . . 1.158 ' CB ' ' SG ' ' A' ' 615' ' ' CYS . 1.7 m -80.59 -67.98 0.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 61.02 108.279 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 560' ' ' MET . . . . . 0.545 ' N ' ' O ' ' A' ' 556' ' ' CYS . 25.0 mtm 78.26 45.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 73.11 111.04 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 561' ' ' VAL . . . . . 0.523 ' O ' ' CB ' ' A' ' 562' ' ' ALA . 1.0 OUTLIER -104.95 -4.79 9.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 75.53 109.323 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 562' ' ' ALA . . . . . 0.523 ' CB ' ' O ' ' A' ' 561' ' ' VAL . . . 85.78 101.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 75.25 109.337 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 1.7 m -99.71 -6.2 9.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 74.32 109.311 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -179.92 -160.22 25.05 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.505 1.128 . . . . 71.44 110.999 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 565' ' ' HIS . . . . . . . . . . . . . 15.0 m-70 -127.22 148.72 50.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 0.768 . . . . 74.31 109.557 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . -74.64 -9.67 82.55 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.517 1.135 . . . . 75.12 111.009 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 15.9 t -106.5 7.58 30.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 0.758 . . . . 71.32 109.974 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -113.48 -11.9 13.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 74.14 109.35 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 569' ' ' LEU . . . . . 0.46 ' CD1' ' O ' ' A' ' 569' ' ' LEU . 0.2 OUTLIER -86.04 151.4 23.74 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 74.44 109.33 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 570' ' ' ARG . . . . . 0.45 ' HA ' ' CG2' ' A' ' 659' ' ' VAL . 92.0 mtt-85 -143.66 132.08 22.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 74.4 110.314 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 571' ' ' LYS . . . . . 0.42 ' CG ' ' HA ' ' A' ' 661' ' ' ASP . 4.1 ptpt -73.99 158.25 34.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 74.43 109.274 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 572' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 574' ' ' GLY . 2.7 t -109.34 102.34 13.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 64.31 109.34 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 573' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 572' ' ' VAL . 8.0 pt-20 38.67 30.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 74.2 110.29 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 574' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 572' ' ' VAL . . . 58.54 49.66 74.64 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.54 1.15 . . . . 33.24 110.989 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 575' ' ' THR . . . . . 0.531 ' O ' ' CG ' ' A' ' 576' ' ' HIS . 2.0 m -117.23 -35.89 3.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 0.749 . . . . 72.25 110.437 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 576' ' ' HIS . . . . . 0.531 ' CG ' ' O ' ' A' ' 575' ' ' THR . 6.0 m80 -173.64 109.51 0.16 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 74.14 109.598 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 577' ' ' HIS . . . . . 0.716 ' CD2' ' CE3' ' A' ' 652' ' ' TRP . 11.3 m80 -47.12 127.52 10.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 75.24 109.618 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 578' ' ' VAL . . . . . 0.4 HG23 ' CG2' ' A' ' 572' ' ' VAL . 23.1 m -133.23 108.41 12.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 75.14 109.309 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 579' ' ' ASN . . . . . 0.577 ' OD1' ' CE1' ' A' ' 584' ' ' PHE . 1.5 t-20 -76.55 115.27 16.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.533 1.146 . . . . 65.13 109.301 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 580' ' ' VAL . . . . . 0.471 ' CG2' HD22 ' A' ' 630' ' ' LEU . 3.6 t -85.65 138.72 18.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 75.2 109.327 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 581' ' ' ASN . . . . . 0.469 ' CB ' ' HB2' ' A' ' 584' ' ' PHE . 2.9 m120 178.06 129.27 0.21 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 73.32 109.278 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 582' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -34.44 3.86 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.488 1.783 . . . . 71.25 111.028 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 583' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -78.23 -3.05 40.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 74.44 109.316 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 584' ' ' PHE . . . . . 0.577 ' CE1' ' OD1' ' A' ' 579' ' ' ASN . 2.3 t80 -71.18 -32.43 68.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 75.33 110.978 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 585' ' ' SER . . . . . 0.562 ' HA ' ' CE2' ' A' ' 588' ' ' TYR . 72.8 m -59.38 -23.48 62.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 73.3 110.021 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -87.38 -15.7 37.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 74.24 109.29 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 587' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -94.24 2.07 55.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 74.32 111.013 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 588' ' ' TYR . . . . . 0.562 ' CD1' ' C ' ' A' ' 588' ' ' TYR . 2.1 p90 -161.17 163.55 31.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 64.42 110.996 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 589' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -131.09 126.46 35.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 73.32 109.301 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 13.2 t -72.79 141.42 16.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 74.13 109.283 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 3.9 t . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 75.24 110.014 -179.994 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 604' ' ' TRP . . . . . 0.49 ' CE3' ' HB3' ' A' ' 623' ' ' MET . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 107.999 -1.112 . . . . 73.3 107.999 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 605' ' ' LYS . . . . . . . . . . . . . 9.4 pttt -86.61 165.33 33.38 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 74.23 109.234 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 606' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -169.47 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.497 1.788 . . . . 75.05 111.008 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 607' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 622' ' ' GLN . . . -150.44 -74.27 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.503 1.127 . . . . 64.01 111.01 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 608' ' ' GLY . . . . . . . . . . . . . . . 176.53 161.36 25.32 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.009 -0.836 . . . . 74.54 111.009 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 10.9 t -63.8 131.87 29.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.504 0.767 . . . . 72.5 109.318 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 610' ' ' ILE . . . . . 0.47 HG13 ' CA ' ' A' ' 621' ' ' LEU . 0.6 OUTLIER -99.81 142.5 15.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 73.44 109.295 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -134.66 129.11 34.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 74.44 110.026 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 612' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 616' ' ' GLY . 38.1 t -59.12 108.06 0.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 75.33 108.291 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 7.7 ttt180 -64.95 -32.96 74.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 74.23 110.255 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 614' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -57.77 -48.38 79.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 72.34 109.251 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 615' ' ' CYS . . . . . 1.158 ' SG ' ' CB ' ' A' ' 559' ' ' CYS . 3.1 m -117.83 -73.66 0.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 73.43 108.289 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 616' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 157.17 -23.77 0.46 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.461 1.101 . . . . 62.22 111.005 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -42.76 109.12 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 0.742 . . . . 74.03 110.313 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 11.6 t -58.12 131.12 22.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 71.32 109.321 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 619' ' ' TRP . . . . . 0.534 ' NE1' ' CE ' ' A' ' 638' ' ' MET . 45.1 m0 -88.04 -46.33 9.42 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.952 -1.129 . . . . 74.45 107.952 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 620' ' ' GLY . . . . . . . . . . . . . . . 166.09 -108.44 0.32 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.496 1.122 . . . . 64.04 110.988 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 621' ' ' LEU . . . . . 0.517 ' CD1' ' C ' ' A' ' 621' ' ' LEU . 0.4 OUTLIER -149.32 169.95 19.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 0.763 . . . . 75.22 109.354 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 622' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 607' ' ' GLY . 1.1 tt0 -105.21 138.69 41.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 73.32 110.278 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 623' ' ' MET . . . . . 0.49 ' HB3' ' CE3' ' A' ' 604' ' ' TRP . 16.6 mmm -131.37 133.06 44.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 72.44 111.036 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 624' ' ' ILE . . . . . 0.401 ' N ' HD13 ' A' ' 624' ' ' ILE . 5.2 mp -99.98 137.71 26.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 75.23 109.306 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 625' ' ' TYR . . . . . 0.473 ' O ' ' CD2' ' A' ' 625' ' ' TYR . 15.0 t80 -136.77 105.02 5.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 73.51 110.975 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 626' ' ' LYS . . . . . 0.511 ' O ' ' CB ' ' A' ' 627' ' ' SER . 6.7 mmpt? 70.73 21.7 5.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 74.35 109.336 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 627' ' ' SER . . . . . 0.511 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.2 p 85.58 39.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 74.24 110.006 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 628' ' ' VAL . . . . . 0.462 HG12 ' CD2' ' A' ' 630' ' ' LEU . 43.5 t -129.39 110.48 20.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 74.44 109.294 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm -68.42 99.46 0.96 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 74.12 109.311 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 630' ' ' LEU . . . . . 0.568 HD13 ' CE1' ' A' ' 662' ' ' PHE . 46.0 mt -115.3 111.86 44.24 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 73.51 109.3 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 631' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 140.79 25.83 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.473 1.775 . . . . 73.11 110.998 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 632' ' ' VAL . . . . . 0.437 HG22 ' CG ' ' A' ' 623' ' ' MET . 5.5 t -106.27 99.98 9.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 72.43 109.302 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 633' ' ' LEU . . . . . 0.564 ' CD1' ' N ' ' A' ' 633' ' ' LEU . 0.0 OUTLIER -104.54 171.31 7.4 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.123 . . . . 74.31 109.271 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 634' ' ' LYS . . . . . 0.478 ' CD ' ' O ' ' A' ' 619' ' ' TRP . 0.5 OUTLIER -97.93 -172.3 2.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 74.55 109.283 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 635' ' ' VAL . . . . . 0.518 ' HB ' ' CE2' ' A' ' 652' ' ' TRP . 4.2 p -109.1 -22.69 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 74.55 109.298 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 636' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.99 -12.49 55.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 73.42 110.286 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 11.0 m -102.25 -15.39 16.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.12 . . . . 74.35 110.04 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 638' ' ' MET . . . . . 0.534 ' CE ' ' NE1' ' A' ' 619' ' ' TRP . 34.6 mmt -109.81 128.8 55.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 74.44 110.982 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 639' ' ' LEU . . . . . 0.491 ' CD1' ' HA ' ' A' ' 557' ' ' ILE . 0.7 OUTLIER -95.81 150.85 19.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 71.25 109.307 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 640' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -113.41 94.75 5.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 75.15 109.311 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . 0.437 ' HB2' ' CD1' ' A' ' 555' ' ' LEU . 7.0 mt-10 -73.82 121.6 21.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 65.32 110.27 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 642' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -131.33 160.12 68.6 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 70.15 110.411 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 1.79 7.31 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.523 1.801 . . . . 71.3 110.974 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -108.96 -4.55 16.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 74.45 110.294 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 124.27 146.02 6.83 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.53 1.144 . . . . 54.21 111.039 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 646' ' ' ARG . . . . . 0.461 ' CG ' HD22 ' A' ' 639' ' ' LEU . 55.2 mtm-85 -55.81 146.37 21.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 0.746 . . . . 75.43 110.332 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 647' ' ' ILE . . . . . 0.496 HD13 ' CE1' ' A' ' 547' ' ' PHE . 49.2 mt -136.24 121.51 27.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 71.12 109.27 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 648' ' ' GLN . . . . . 0.409 ' CG ' HG22 ' A' ' 557' ' ' ILE . 0.8 OUTLIER -120.83 109.77 15.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 74.55 110.32 179.921 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 649' ' ' ALA . . . . . . . . . . . . . . . -107.32 176.07 5.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.437 1.086 . . . . 74.02 109.298 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 28.4 mttm -124.25 1.62 8.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 73.34 109.277 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 651' ' ' LYS . . . . . 0.414 ' N ' ' HD3' ' A' ' 651' ' ' LYS . 0.7 OUTLIER -145.24 137.35 25.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 75.23 109.292 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 652' ' ' TRP . . . . . 0.716 ' CE3' ' CD2' ' A' ' 577' ' ' HIS . 65.0 m95 -66.98 -12.33 59.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 74.41 108.0 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 47.1 t -72.04 -19.98 61.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 72.11 109.991 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 654' ' ' ARG . . . . . . . . . . . . . 10.3 mmt180 -103.06 -16.33 15.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 75.24 110.312 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 655' ' ' VAL . . . . . 0.571 HG12 ' CZ ' ' A' ' 657' ' ' PHE . 2.2 t -40.23 132.97 1.57 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 75.02 109.287 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 656' ' ' PRO . . . . . 0.461 ' HB2' ' CB ' ' A' ' 547' ' ' PHE . 18.4 Cg_endo -75.0 -53.94 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.514 1.797 . . . . 73.35 111.005 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 657' ' ' PHE . . . . . 0.571 ' CZ ' HG12 ' A' ' 655' ' ' VAL . 49.6 p90 -66.5 172.15 4.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 75.43 111.009 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -120.46 150.05 41.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 71.32 109.969 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 659' ' ' VAL . . . . . 0.45 ' CG2' ' HA ' ' A' ' 570' ' ' ARG . 0.1 OUTLIER -149.29 115.3 3.63 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 74.2 109.317 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 660' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 173.68 14.09 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.531 1.806 . . . . 72.11 110.975 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 661' ' ' ASP . . . . . 0.42 ' HA ' ' CG ' ' A' ' 571' ' ' LYS . 1.0 OUTLIER -71.32 150.77 44.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 75.11 109.298 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 662' ' ' PHE . . . . . 0.568 ' CE1' HD13 ' A' ' 630' ' ' LEU . 64.1 t80 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 75.43 110.981 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 546' ' ' GLN . . . . . 0.593 ' C ' ' CD1' ' A' ' 547' ' ' PHE . 10.1 mt-30 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 110.272 -0.27 . . . . 73.13 110.272 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 547' ' ' PHE . . . . . 0.593 ' CD1' ' C ' ' A' ' 546' ' ' GLN . 0.1 OUTLIER -159.28 101.77 1.54 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 75.4 110.999 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 548' ' ' PRO . . . . . 0.45 ' HG2' ' CG ' ' A' ' 551' ' ' HIS . 18.2 Cg_endo -75.03 140.67 25.64 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.504 1.792 . . . . 75.2 111.022 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 33.7 m -52.47 -46.43 47.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 63.33 109.307 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -54.03 -24.19 16.19 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 73.41 110.298 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 551' ' ' HIS . . . . . 0.45 ' CG ' ' HG2' ' A' ' 548' ' ' PRO . 23.2 m170 -98.24 -24.15 15.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 65.1 109.597 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 552' ' ' VAL . . . . . 0.473 HG12 ' CD1' ' A' ' 657' ' ' PHE . 98.9 t -88.56 121.73 39.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 73.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 553' ' ' GLN . . . . . 0.582 ' OE1' ' CE1' ' A' ' 565' ' ' HIS . 9.5 tt0 -107.48 169.74 8.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 75.01 110.308 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 1.9 mt -107.7 106.54 16.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 75.04 109.313 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 555' ' ' LEU . . . . . 0.59 ' CD1' ' N ' ' A' ' 555' ' ' LEU . 0.1 OUTLIER -122.83 170.63 9.9 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.469 1.106 . . . . 75.41 109.283 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 556' ' ' CYS . . . . . 0.556 ' O ' ' N ' ' A' ' 560' ' ' MET . 3.6 t -102.54 110.11 21.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 114.976 -1.011 . . . . 62.34 110.923 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 557' ' ' ILE . . . . . 0.496 HG22 ' CG ' ' A' ' 648' ' ' GLN . 0.7 OUTLIER -36.46 -31.89 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 74.41 109.262 -179.911 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 558' ' ' ASN . . . . . 0.502 ' N ' ' O ' ' A' ' 556' ' ' CYS . 5.7 m-20 -86.53 -67.02 0.84 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 71.04 109.307 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 559' ' ' CYS . . . . . 1.033 ' CB ' ' SG ' ' A' ' 615' ' ' CYS . 3.9 m -62.53 -64.97 0.76 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 71.23 108.282 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 560' ' ' MET . . . . . 0.556 ' N ' ' O ' ' A' ' 556' ' ' CYS . 10.8 mtm 68.04 40.81 2.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 64.43 111.004 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 561' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -115.67 11.41 7.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 75.24 109.321 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 562' ' ' ALA . . . . . 0.442 ' HA ' ' HG ' ' A' ' 555' ' ' LEU . . . 65.8 113.43 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 74.33 109.318 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 563' ' ' VAL . . . . . 0.564 HG11 ' CD1' ' A' ' 587' ' ' TYR . 0.8 OUTLIER -108.69 -16.91 8.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 73.14 109.296 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 564' ' ' GLY . . . . . 0.554 ' O ' ' CD2' ' A' ' 565' ' ' HIS . . . -159.14 -141.03 3.04 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.444 1.09 . . . . 62.25 110.993 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 565' ' ' HIS . . . . . 0.582 ' CE1' ' OE1' ' A' ' 553' ' ' GLN . 38.7 m-70 -150.09 153.16 35.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 0.768 . . . . 75.22 109.598 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . -85.38 -0.9 88.26 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.496 1.123 . . . . 52.33 110.959 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 54.8 p -112.48 2.02 16.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 0.741 . . . . 74.14 109.965 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 568' ' ' ASP . . . . . 0.441 ' O ' ' NH1' ' A' ' 570' ' ' ARG . 1.6 m-20 -110.82 -18.8 13.03 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 72.22 109.307 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 569' ' ' LEU . . . . . 0.466 ' CB ' ' HA ' ' A' ' 579' ' ' ASN . 0.2 OUTLIER -77.71 157.13 30.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 74.22 109.272 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 570' ' ' ARG . . . . . 0.441 ' NH1' ' O ' ' A' ' 568' ' ' ASP . 8.0 mpt_? -132.14 -177.2 4.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 74.31 110.287 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 571' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 662' ' ' PHE . 15.1 ttmt -120.0 158.32 27.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 73.14 109.311 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 2.5 t -131.75 104.58 8.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 74.22 109.287 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 573' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 38.97 39.68 0.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 65.43 110.254 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 40.84 50.65 4.12 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.534 1.146 . . . . 62.04 110.974 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 575' ' ' THR . . . . . 0.537 ' O ' ' CG ' ' A' ' 576' ' ' HIS . 2.8 m -109.8 -50.63 2.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 0.754 . . . . 75.23 110.427 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 576' ' ' HIS . . . . . 0.537 ' CG ' ' O ' ' A' ' 575' ' ' THR . 29.6 m80 -163.53 106.68 0.99 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 75.14 109.579 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 577' ' ' HIS . . . . . 0.643 ' CD2' ' CG ' ' A' ' 652' ' ' TRP . 22.7 m-70 -41.08 133.48 2.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 73.31 109.572 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 578' ' ' VAL . . . . . . . . . . . . . 30.3 m -129.33 109.66 18.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 75.3 109.322 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 579' ' ' ASN . . . . . 0.466 ' HA ' ' CB ' ' A' ' 569' ' ' LEU . 1.6 t-20 -79.69 108.32 13.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 64.3 109.32 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 580' ' ' VAL . . . . . 0.55 ' CG1' ' CD2' ' A' ' 630' ' ' LEU . 2.5 t -82.31 140.21 16.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 55.13 109.271 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 581' ' ' ASN . . . . . 0.46 ' CB ' ' HB2' ' A' ' 584' ' ' PHE . 3.2 m120 179.42 128.39 0.23 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 74.44 109.325 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 582' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -33.54 4.54 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.504 1.792 . . . . 70.32 110.993 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 583' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -80.04 0.23 32.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 73.45 109.34 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 584' ' ' PHE . . . . . 0.561 ' CZ ' HD22 ' A' ' 633' ' ' LEU . 3.0 t80 -73.16 -30.19 63.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 75.31 110.962 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 585' ' ' SER . . . . . 0.497 ' HA ' ' CE2' ' A' ' 588' ' ' TYR . 30.0 p -57.94 -23.8 55.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 75.23 110.009 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -87.73 -17.85 30.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 74.31 109.317 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 587' ' ' TYR . . . . . 0.564 ' CD1' HG11 ' A' ' 563' ' ' VAL . 7.7 m-85 -93.74 4.55 53.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 75.03 110.994 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 588' ' ' TYR . . . . . 0.608 ' CD1' ' CG2' ' A' ' 610' ' ' ILE . 1.3 p90 -164.06 159.91 21.07 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.142 . . . . 75.41 111.004 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 589' ' ' ASN . . . . . 0.4 ' ND2' ' HB2' ' A' ' 613' ' ' ARG . 16.3 m-80 -135.88 129.43 32.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 70.53 109.33 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 590' ' ' VAL . . . . . 0.401 ' CG1' ' HA3' ' A' ' 608' ' ' GLY . 21.3 t -72.55 139.98 18.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 73.01 109.338 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 13.3 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 75.51 110.04 179.979 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 604' ' ' TRP . . . . . 0.549 ' CD2' ' SD ' ' A' ' 623' ' ' MET . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 107.98 -1.119 . . . . 74.43 107.98 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 605' ' ' LYS . . . . . . . . . . . . . 15.3 pttt -118.52 157.36 49.79 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 74.44 109.321 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 606' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 146.06 32.47 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.483 1.781 . . . . 72.22 111.015 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 607' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 622' ' ' GLN . . . -111.73 -93.21 2.13 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.485 1.116 . . . . 73.3 111.019 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 608' ' ' GLY . . . . . 0.401 ' HA3' ' CG1' ' A' ' 590' ' ' VAL . . . -160.74 144.6 10.08 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.005 -0.838 . . . . 65.41 111.005 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 609' ' ' VAL . . . . . 0.411 ' CG1' ' CG1' ' A' ' 618' ' ' VAL . 58.1 t -53.34 124.16 5.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.515 0.773 . . . . 74.12 109.267 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 610' ' ' ILE . . . . . 0.608 ' CG2' ' CD1' ' A' ' 588' ' ' TYR . 1.0 OUTLIER -93.76 145.09 8.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 74.41 109.306 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -142.82 117.38 9.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 75.42 109.951 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 612' ' ' CYS . . . . . 0.445 ' O ' ' N ' ' A' ' 616' ' ' GLY . 26.6 t -44.74 119.79 2.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 75.44 108.314 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 613' ' ' ARG . . . . . 0.4 ' HB2' ' ND2' ' A' ' 589' ' ' ASN . 10.1 ttt180 -69.36 -28.65 66.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 74.4 110.245 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 614' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -64.28 -39.62 94.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 72.0 109.325 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 615' ' ' CYS . . . . . 1.033 ' SG ' ' CB ' ' A' ' 559' ' ' CYS . 0.0 OUTLIER -121.69 -75.95 0.59 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 64.43 108.284 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 616' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 149.44 -18.64 1.16 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.496 1.123 . . . . 65.12 111.039 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -42.81 105.72 0.05 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 0.759 . . . . 63.23 110.294 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 618' ' ' VAL . . . . . 0.411 ' CG1' ' CG1' ' A' ' 609' ' ' VAL . 88.7 t -55.34 112.06 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 63.42 109.319 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 619' ' ' TRP . . . . . 0.562 ' CZ2' ' HE3' ' A' ' 638' ' ' MET . 36.7 m0 -70.14 -54.45 12.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 72.22 108.011 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 620' ' ' GLY . . . . . . . . . . . . . . . -179.37 -101.16 0.15 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.486 1.116 . . . . 64.54 110.993 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 621' ' ' LEU . . . . . 0.553 ' C ' ' CD2' ' A' ' 621' ' ' LEU . 0.0 OUTLIER -160.82 157.18 26.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 0.772 . . . . 74.44 109.289 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 622' ' ' GLN . . . . . 0.401 ' O ' ' N ' ' A' ' 607' ' ' GLY . 0.8 OUTLIER -86.27 137.17 32.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 71.34 110.309 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 623' ' ' MET . . . . . 0.549 ' SD ' ' CD2' ' A' ' 604' ' ' TRP . 5.2 mmt -117.67 153.55 33.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 73.42 110.961 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 624' ' ' ILE . . . . . 0.547 ' CD1' ' N ' ' A' ' 624' ' ' ILE . 2.3 mp -118.95 133.81 64.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.572 1.17 . . . . 73.35 109.304 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 625' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -139.08 107.38 5.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.122 . . . . 72.24 111.026 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 626' ' ' LYS . . . . . 0.505 ' O ' ' CB ' ' A' ' 627' ' ' SER . 0.1 OUTLIER 67.96 18.51 9.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 73.2 109.311 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 627' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.1 p 85.43 43.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.122 . . . . 71.54 110.023 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 628' ' ' VAL . . . . . 0.457 HG11 ' CD2' ' A' ' 630' ' ' LEU . 43.9 t -129.13 131.27 68.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 73.15 109.316 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 10.3 mmmt -77.9 100.03 6.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 73.23 109.302 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 630' ' ' LEU . . . . . 0.55 ' CD2' ' CG1' ' A' ' 580' ' ' VAL . 26.0 mt -120.46 112.54 34.16 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 75.42 109.262 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 631' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 138.23 22.79 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.544 1.813 . . . . 74.5 111.006 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 632' ' ' VAL . . . . . 0.458 HG22 ' CG ' ' A' ' 623' ' ' MET . 59.5 t -105.72 93.67 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 73.51 109.285 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 633' ' ' LEU . . . . . 0.561 HD22 ' CZ ' ' A' ' 584' ' ' PHE . 0.0 OUTLIER -98.5 171.94 7.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 74.41 109.282 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 2.4 pttt -110.92 -173.65 2.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.097 . . . . 75.21 109.281 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 635' ' ' VAL . . . . . 0.407 ' O ' ' O ' ' A' ' 638' ' ' MET . 8.9 p -103.01 -23.01 4.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 73.45 109.323 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 636' ' ' ARG . . . . . . . . . . . . . 5.4 mtm180 -67.45 -39.01 85.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 73.4 110.313 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 637' ' ' SER . . . . . 0.403 ' C ' HG21 ' A' ' 557' ' ' ILE . 88.8 p -89.55 -6.32 56.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 74.54 109.998 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 638' ' ' MET . . . . . 0.562 ' HE3' ' CZ2' ' A' ' 619' ' ' TRP . 32.4 mmt -112.88 122.95 49.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.113 . . . . 74.22 111.014 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 639' ' ' LEU . . . . . . . . . . . . . 14.4 tp -98.2 138.07 36.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 75.51 109.365 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 640' ' ' LEU . . . . . 0.55 HD12 ' CE1' ' A' ' 657' ' ' PHE . 1.9 mm? -99.76 116.92 32.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.138 . . . . 74.51 109.263 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . 0.418 ' CD ' ' CD2' ' A' ' 555' ' ' LEU . 7.4 mt-10 -89.37 129.7 35.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 74.54 110.302 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 642' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.03 160.28 58.68 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 62.21 110.402 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 2.36 6.72 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.518 1.799 . . . . 75.42 111.033 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -109.48 -4.95 15.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 75.23 110.29 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 120.91 134.18 4.58 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.483 1.114 . . . . 71.33 110.972 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 23.9 mtm-85 -46.36 148.26 0.97 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 0.778 . . . . 74.03 110.336 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 647' ' ' ILE . . . . . . . . . . . . . 18.2 mt -133.6 121.54 41.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 75.32 109.299 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 648' ' ' GLN . . . . . 0.496 ' CG ' HG22 ' A' ' 557' ' ' ILE . 0.3 OUTLIER -122.0 108.9 13.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 75.51 110.319 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 649' ' ' ALA . . . . . 0.431 ' N ' ' OE1' ' A' ' 648' ' ' GLN . . . -106.35 -174.49 2.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 74.24 109.314 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 51.5 mttt -115.14 -9.79 12.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 75.21 109.283 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 651' ' ' LYS . . . . . 0.406 ' C ' ' CG1' ' A' ' 635' ' ' VAL . 2.6 mmmp? -142.43 160.57 40.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 74.33 109.334 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 652' ' ' TRP . . . . . 0.643 ' CG ' ' CD2' ' A' ' 577' ' ' HIS . 22.2 m95 -80.23 -5.38 56.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 74.54 107.955 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 2.2 t -68.05 -13.75 62.44 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.472 1.107 . . . . 75.34 110.011 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 654' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 655' ' ' VAL . 9.0 mmt180 -109.55 -16.49 13.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 75.02 110.32 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 655' ' ' VAL . . . . . 0.564 HG11 ' CE1' ' A' ' 657' ' ' PHE . 2.5 t -40.19 126.93 1.7 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 74.43 109.308 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 656' ' ' PRO . . . . . 0.523 ' HB2' ' CG ' ' A' ' 547' ' ' PHE . 18.2 Cg_endo -75.01 -49.6 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.445 1.761 . . . . 74.52 110.926 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 657' ' ' PHE . . . . . 0.564 ' CE1' HG11 ' A' ' 655' ' ' VAL . 40.4 p90 -67.84 173.16 4.62 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.468 1.105 . . . . 74.11 111.005 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -121.26 149.98 42.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 74.25 110.008 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 659' ' ' VAL . . . . . 0.43 ' CG2' ' C ' ' A' ' 570' ' ' ARG . 0.2 OUTLIER -150.36 106.52 3.14 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 52.11 109.319 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 660' ' ' PRO . . . . . 0.411 ' O ' ' N ' ' A' ' 571' ' ' LYS . 18.3 Cg_endo -75.04 177.69 8.27 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.519 1.8 . . . . 71.25 111.029 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -58.58 161.01 4.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 75.25 109.264 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 662' ' ' PHE . . . . . 0.458 ' N ' ' O ' ' A' ' 571' ' ' LYS . 34.8 t80 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 73.54 110.987 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 546' ' ' GLN . . . . . 0.593 ' C ' ' CD1' ' A' ' 547' ' ' PHE . 21.3 mt-30 . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 110.339 -0.245 . . . . 75.43 110.339 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 547' ' ' PHE . . . . . 0.593 ' CD1' ' C ' ' A' ' 546' ' ' GLN . 0.2 OUTLIER -156.45 96.31 2.24 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 73.54 111.028 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 548' ' ' PRO . . . . . 0.493 ' HG2' ' CG ' ' A' ' 551' ' ' HIS . 18.5 Cg_endo -74.93 141.47 26.91 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.554 1.818 . . . . 63.21 111.06 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 20.3 m -52.6 -45.8 48.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 73.15 109.281 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -55.0 -24.63 25.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 71.04 110.286 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 551' ' ' HIS . . . . . 0.493 ' CG ' ' HG2' ' A' ' 548' ' ' PRO . 23.5 m170 -96.68 -22.79 16.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 73.03 109.62 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 552' ' ' VAL . . . . . 0.57 HG13 ' CD2' ' A' ' 657' ' ' PHE . 83.4 t -89.09 109.38 20.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 72.53 109.32 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -97.04 169.88 9.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 74.51 110.281 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 554' ' ' LEU . . . . . 0.402 ' N ' HD11 ' A' ' 555' ' ' LEU . 3.5 mt -110.73 106.8 16.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 71.42 109.3 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 555' ' ' LEU . . . . . 0.615 ' CD1' ' N ' ' A' ' 555' ' ' LEU . 0.0 OUTLIER -123.64 170.9 9.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 75.41 109.33 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 556' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' ' 559' ' ' CYS . 18.1 t -97.78 106.13 18.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.01 -0.995 . . . . 72.44 110.87 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 557' ' ' ILE . . . . . 0.491 ' CD1' ' O ' ' A' ' 636' ' ' ARG . 1.3 pt -37.03 -33.24 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 72.32 109.331 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 558' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 556' ' ' CYS . 7.5 m-20 -83.69 -49.05 9.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 72.24 109.314 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 559' ' ' CYS . . . . . 1.37 ' SG ' ' CB ' ' A' ' 615' ' ' CYS . 3.8 m -123.15 70.52 1.03 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 72.42 108.285 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 560' ' ' MET . . . . . 0.465 ' N ' ' O ' ' A' ' 556' ' ' CYS . 6.4 mtm -61.66 72.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 64.33 110.97 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 561' ' ' VAL . . . . . 0.516 ' N ' ' O ' ' A' ' 559' ' ' CYS . 1.0 OUTLIER -110.88 -8.67 11.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 64.22 109.294 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 562' ' ' ALA . . . . . 0.467 ' CB ' ' O ' ' A' ' 561' ' ' VAL . . . 81.85 107.46 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 72.22 109.302 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 563' ' ' VAL . . . . . 0.471 ' HA ' ' CD2' ' A' ' 587' ' ' TYR . 0.5 OUTLIER -106.13 -8.77 10.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 74.54 109.258 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -172.11 -149.79 6.87 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.462 1.101 . . . . 73.33 110.981 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 565' ' ' HIS . . . . . . . . . . . . . 20.6 m80 -143.94 146.23 32.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 0.751 . . . . 75.41 109.606 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 566' ' ' GLY . . . . . 0.498 ' O ' ' CD1' ' A' ' 569' ' ' LEU . . . -66.46 -24.39 72.32 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.462 1.101 . . . . 62.2 110.998 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 2.6 p -98.06 7.93 45.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 0.769 . . . . 64.12 109.993 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -111.79 -17.46 12.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 75.3 109.289 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 569' ' ' LEU . . . . . 0.514 ' C ' ' CD1' ' A' ' 569' ' ' LEU . 0.1 OUTLIER -87.9 170.05 11.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 75.01 109.297 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 570' ' ' ARG . . . . . 0.467 ' CD ' ' HA ' ' A' ' 662' ' ' PHE . 41.9 mtt180 -154.78 173.37 16.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 74.43 110.267 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 571' ' ' LYS . . . . . 0.483 ' HD3' ' CE1' ' A' ' 577' ' ' HIS . 31.9 mtmt -110.75 122.3 47.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 73.43 109.277 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 572' ' ' VAL . . . . . 0.533 HG12 ' CE3' ' A' ' 604' ' ' TRP . 2.8 t -77.85 117.08 22.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 74.32 109.295 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 573' ' ' GLU . . . . . 0.408 ' CG ' ' O ' ' A' ' 572' ' ' VAL . 9.6 pt-20 43.91 35.4 1.11 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 73.53 110.287 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 47.39 47.16 22.48 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.497 1.123 . . . . 55.25 111.001 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 1.3 m -113.51 -58.69 2.12 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.486 0.756 . . . . 72.54 110.385 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 13.8 m170 -138.54 149.14 45.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 71.55 109.617 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 577' ' ' HIS . . . . . 0.648 ' CG ' ' CE3' ' A' ' 652' ' ' TRP . 17.5 m-70 -73.98 106.87 5.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 72.12 109.617 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 578' ' ' VAL . . . . . 0.483 ' CG1' ' O ' ' A' ' 631' ' ' PRO . 19.0 m -110.31 120.71 61.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 75.12 109.295 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 579' ' ' ASN . . . . . 0.468 ' HA ' ' CB ' ' A' ' 569' ' ' LEU . 2.5 t-20 -92.04 120.34 32.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 75.45 109.316 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 580' ' ' VAL . . . . . . . . . . . . . 2.7 t -90.77 138.86 18.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 73.13 109.276 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 581' ' ' ASN . . . . . 0.447 ' OD1' ' N ' ' A' ' 584' ' ' PHE . 23.1 t-20 173.58 130.43 0.11 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 72.02 109.273 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 582' ' ' PRO . . . . . 0.424 ' HD2' ' ND2' ' A' ' 581' ' ' ASN . 18.3 Cg_endo -74.98 -27.54 9.97 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.52 1.8 . . . . 75.52 111.023 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 583' ' ' ASN . . . . . 0.593 ' O ' ' CD1' ' A' ' 587' ' ' TYR . 0.3 OUTLIER -78.55 -0.16 28.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 72.2 109.256 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 584' ' ' PHE . . . . . 0.535 ' O ' ' CD2' ' A' ' 588' ' ' TYR . 2.2 t80 -78.47 -29.23 46.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 71.32 110.962 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 86.4 p -61.97 -32.92 73.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 73.23 109.99 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -87.45 -8.84 56.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 73.54 109.279 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 587' ' ' TYR . . . . . 0.593 ' CD1' ' O ' ' A' ' 583' ' ' ASN . 8.8 m-30 -93.57 -11.53 31.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 74.24 111.037 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 588' ' ' TYR . . . . . 0.664 ' CD1' ' CG2' ' A' ' 610' ' ' ILE . 1.2 p90 -150.59 160.15 44.0 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 74.23 110.965 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 589' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -129.83 130.97 45.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.132 . . . . 74.22 109.293 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 24.8 t -72.2 132.1 33.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 75.04 109.315 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 3.8 m . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 73.12 109.979 -179.99 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 604' ' ' TRP . . . . . 0.61 ' CZ2' ' SD ' ' A' ' 623' ' ' MET . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 108.026 -1.101 . . . . 74.51 108.026 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 605' ' ' LYS . . . . . . . . . . . . . 9.0 ptpt -86.1 153.79 57.24 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.095 . . . . 64.43 109.257 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 606' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -162.41 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.466 1.772 . . . . 71.44 111.023 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 607' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 622' ' ' GLN . . . -154.05 -99.28 0.17 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.502 1.126 . . . . 64.55 110.956 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 608' ' ' GLY . . . . . . . . . . . . . . . -149.78 143.41 10.74 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.968 -0.853 . . . . 65.22 110.968 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 41.1 t -51.84 125.34 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 0.78 . . . . 73.34 109.286 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 610' ' ' ILE . . . . . 0.664 ' CG2' ' CD1' ' A' ' 588' ' ' TYR . 0.6 OUTLIER -92.78 148.05 4.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 73.11 109.289 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.52 130.67 30.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 73.42 109.995 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 612' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 616' ' ' GLY . 46.3 t -59.15 109.19 0.8 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.556 1.16 . . . . 74.4 108.342 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 14.4 ttt-85 -69.76 -29.58 66.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 75.43 110.331 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 614' ' ' ASN . . . . . 0.431 ' ND2' ' CG2' ' A' ' 561' ' ' VAL . 77.1 m-20 -62.8 -35.55 80.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 73.12 109.286 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 615' ' ' CYS . . . . . 1.37 ' CB ' ' SG ' ' A' ' 559' ' ' CYS . 39.2 m -132.6 -74.77 0.5 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 75.33 108.304 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 616' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 160.71 -24.99 0.27 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.525 1.141 . . . . 73.13 111.026 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -42.23 105.55 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 0.758 . . . . 75.25 110.264 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 49.3 t -57.43 132.64 21.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 72.33 109.291 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 619' ' ' TRP . . . . . 0.438 ' O ' ' CD ' ' A' ' 634' ' ' LYS . 38.5 m0 -91.84 -41.5 10.6 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.036 -1.098 . . . . 75.53 108.036 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 620' ' ' GLY . . . . . . . . . . . . . . . 163.16 -114.64 0.61 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.487 1.117 . . . . 71.44 111.008 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 621' ' ' LEU . . . . . 0.508 ' CD2' ' O ' ' A' ' 622' ' ' GLN . 0.0 OUTLIER -149.39 154.66 39.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 0.782 . . . . 64.5 109.358 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 622' ' ' GLN . . . . . 0.508 ' O ' ' CD2' ' A' ' 621' ' ' LEU . 0.0 OUTLIER -82.26 135.89 35.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 71.32 110.312 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 623' ' ' MET . . . . . 0.61 ' SD ' ' CZ2' ' A' ' 604' ' ' TRP . 10.0 mtp -123.89 136.91 54.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 73.21 111.003 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 624' ' ' ILE . . . . . 0.402 HG21 ' N ' ' A' ' 625' ' ' TYR . 4.9 mp -103.42 154.75 5.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 75.44 109.29 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 625' ' ' TYR . . . . . 0.402 ' N ' HG21 ' A' ' 624' ' ' ILE . 15.6 t80 -159.63 122.19 3.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 72.0 110.985 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 626' ' ' LYS . . . . . 0.491 ' O ' ' CB ' ' A' ' 627' ' ' SER . 0.0 OUTLIER 57.14 18.12 3.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.127 . . . . 75.12 109.301 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 627' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.2 p 85.12 37.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 73.21 109.97 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 628' ' ' VAL . . . . . 0.47 HG11 ' CG ' ' A' ' 630' ' ' LEU . 54.6 t -124.68 135.03 65.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 74.11 109.266 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 629' ' ' LYS . . . . . 0.446 ' NZ ' ' OE1' ' A' ' 622' ' ' GLN . 0.0 OUTLIER -83.98 100.76 11.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 74.43 109.284 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 630' ' ' LEU . . . . . 0.554 HD11 ' CE1' ' A' ' 662' ' ' PHE . 10.5 mt -125.44 111.41 25.89 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.429 1.081 . . . . 74.23 109.322 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 631' ' ' PRO . . . . . 0.483 ' O ' ' CG1' ' A' ' 578' ' ' VAL . 18.4 Cg_endo -74.99 163.19 35.85 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.493 1.786 . . . . 75.21 111.012 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 632' ' ' VAL . . . . . 0.467 HG22 ' CG1' ' A' ' 578' ' ' VAL . 25.3 t -125.08 91.61 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 75.31 109.311 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 633' ' ' LEU . . . . . 0.541 ' CD1' ' N ' ' A' ' 633' ' ' LEU . 0.0 OUTLIER -94.37 171.26 8.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 71.11 109.295 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 634' ' ' LYS . . . . . 0.438 ' CD ' ' O ' ' A' ' 619' ' ' TRP . 2.8 mtpt -100.7 -175.3 2.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 73.12 109.299 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 635' ' ' VAL . . . . . 0.538 ' HB ' ' CD1' ' A' ' 652' ' ' TRP . 2.2 p -102.63 -24.57 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 64.22 109.345 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 636' ' ' ARG . . . . . 0.491 ' O ' ' CD1' ' A' ' 557' ' ' ILE . 0.1 OUTLIER -83.13 -14.31 53.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 73.4 110.305 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 2.0 m -98.3 -12.21 21.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 75.53 110.036 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 638' ' ' MET . . . . . . . . . . . . . 32.6 mmt -115.3 126.71 54.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 71.14 111.003 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 639' ' ' LEU . . . . . 0.436 ' CD2' ' SD ' ' A' ' 560' ' ' MET . 14.7 tp -96.9 133.32 41.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 71.02 109.278 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 640' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -95.86 107.05 19.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 75.32 109.276 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -75.19 131.94 40.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 74.45 110.31 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 642' ' ' THR . . . . . . . . . . . . . 7.7 p -139.9 158.81 66.77 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 73.43 110.406 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -18.4 18.88 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.524 1.802 . . . . 74.42 110.986 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 644' ' ' GLN . . . . . 0.401 ' NE2' ' CE2' ' A' ' 547' ' ' PHE . 5.1 mt-30 -91.21 -5.56 54.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 61.22 110.325 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 124.27 129.21 3.39 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.445 1.091 . . . . 53.02 111.007 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 19.1 mtm180 -39.06 156.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 0.783 . . . . 74.21 110.341 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 647' ' ' ILE . . . . . . . . . . . . . 24.5 mt -138.54 123.54 22.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.143 . . . . 73.44 109.282 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 648' ' ' GLN . . . . . 0.458 ' CG ' HG23 ' A' ' 557' ' ' ILE . 1.1 tm0? -124.04 109.19 13.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 72.14 110.282 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 649' ' ' ALA . . . . . . . . . . . . . . . -110.88 177.9 4.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 72.53 109.356 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 650' ' ' LYS . . . . . 0.501 ' C ' ' CG1' ' A' ' 635' ' ' VAL . 8.5 mmtp -111.88 -16.95 13.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 62.45 109.321 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 20.6 mmmt -126.24 143.57 51.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 73.41 109.28 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 652' ' ' TRP . . . . . 0.648 ' CE3' ' CG ' ' A' ' 577' ' ' HIS . 65.1 m95 -67.2 -11.98 58.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 75.33 108.024 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 3.6 m -66.71 -10.09 43.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 74.4 109.995 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 654' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 655' ' ' VAL . 14.3 mmt180 -101.07 -27.98 12.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 75.24 110.327 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 655' ' ' VAL . . . . . 0.576 HG13 ' CD2' ' A' ' 657' ' ' PHE . 2.3 t -40.21 117.76 1.36 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 74.24 109.279 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 656' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -40.52 0.87 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.502 1.79 . . . . 73.44 110.974 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 657' ' ' PHE . . . . . 0.597 ' CE1' ' CG2' ' A' ' 659' ' ' VAL . 26.4 p90 -70.48 150.95 45.64 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.103 . . . . 74.25 110.984 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -80.02 140.43 36.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 74.54 109.961 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 659' ' ' VAL . . . . . 0.597 ' CG2' ' CE1' ' A' ' 657' ' ' PHE . 2.0 t -121.66 95.67 47.84 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 75.02 109.262 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 660' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 148.65 35.52 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.463 1.77 . . . . 72.53 110.95 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.11 143.85 57.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 64.44 109.299 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 662' ' ' PHE . . . . . 0.554 ' CE1' HD11 ' A' ' 630' ' ' LEU . 73.0 t80 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 74.52 110.989 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 546' ' ' GLN . . . . . 0.583 ' C ' ' CD1' ' A' ' 547' ' ' PHE . 8.7 mt-30 . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 110.332 -0.247 . . . . 73.13 110.332 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 547' ' ' PHE . . . . . 0.583 ' CD1' ' C ' ' A' ' 546' ' ' GLN . 69.2 m-85 -160.15 94.83 1.58 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 75.51 110.982 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 548' ' ' PRO . . . . . 0.451 ' HB2' ' CG ' ' A' ' 550' ' ' GLU . 18.1 Cg_endo -75.04 134.89 18.3 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.452 1.764 . . . . 73.33 110.98 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 549' ' ' VAL . . . . . 0.409 HG23 ' CB ' ' A' ' 567' ' ' SER . 18.3 m -48.01 -42.04 10.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 62.53 109.284 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 550' ' ' GLU . . . . . 0.451 ' CG ' ' HB2' ' A' ' 548' ' ' PRO . 3.3 pt-20 -54.71 -35.57 63.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.087 . . . . 75.01 110.308 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 17.6 m170 -81.82 -17.6 46.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 73.31 109.578 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 552' ' ' VAL . . . . . . . . . . . . . 85.9 t -96.19 130.47 44.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 73.52 109.298 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -118.67 139.59 51.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 75.33 110.328 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 2.3 mt -81.83 114.73 20.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 64.43 109.252 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 555' ' ' LEU . . . . . 0.519 HD23 ' CA ' ' A' ' 562' ' ' ALA . 0.2 OUTLIER -133.93 179.77 6.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 74.34 109.29 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 556' ' ' CYS . . . . . 0.543 ' O ' ' N ' ' A' ' 560' ' ' MET . 4.4 t -106.42 101.98 11.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 114.982 -1.008 . . . . 71.41 110.928 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 557' ' ' ILE . . . . . 0.481 ' C ' ' O ' ' A' ' 556' ' ' CYS . 1.2 pt -34.15 -35.15 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 74.31 109.296 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 558' ' ' ASN . . . . . 0.511 ' N ' ' O ' ' A' ' 556' ' ' CYS . 3.0 m-20 -74.42 -63.42 1.24 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 71.14 109.311 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 559' ' ' CYS . . . . . 1.073 ' CB ' ' SG ' ' A' ' 615' ' ' CYS . 2.1 m -76.26 -68.06 0.62 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 64.5 108.276 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 560' ' ' MET . . . . . 0.543 ' N ' ' O ' ' A' ' 556' ' ' CYS . 24.7 mtm 77.11 44.48 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 72.45 110.973 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 561' ' ' VAL . . . . . 0.499 ' O ' ' CB ' ' A' ' 562' ' ' ALA . 1.0 OUTLIER -109.56 -0.14 9.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 71.34 109.322 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 562' ' ' ALA . . . . . 0.519 ' CA ' HD23 ' A' ' 555' ' ' LEU . . . 83.62 106.72 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 70.1 109.335 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -104.48 -8.55 9.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 73.15 109.289 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -178.05 -163.04 28.99 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.474 1.109 . . . . 50.31 111.006 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 565' ' ' HIS . . . . . . . . . . . . . 45.0 m80 -121.76 140.84 51.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 0.749 . . . . 61.11 109.558 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . -70.81 -4.65 54.94 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.515 1.134 . . . . 74.13 111.03 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 567' ' ' SER . . . . . 0.409 ' CB ' HG23 ' A' ' 549' ' ' VAL . 42.9 p -115.92 10.79 15.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 0.771 . . . . 73.21 109.959 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -114.22 -11.95 12.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 73.04 109.324 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 569' ' ' LEU . . . . . 0.47 ' CB ' ' HA ' ' A' ' 579' ' ' ASN . 0.2 OUTLIER -87.6 158.14 18.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 75.41 109.262 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 570' ' ' ARG . . . . . 0.462 ' O ' ' CG2' ' A' ' 578' ' ' VAL . 6.3 mtp180 -156.8 137.12 12.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 75.24 110.333 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 571' ' ' LYS . . . . . 0.507 ' HE2' ' CE1' ' A' ' 577' ' ' HIS . 11.3 ptpt -78.11 158.78 28.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 63.02 109.312 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 572' ' ' VAL . . . . . 0.41 ' O ' ' C ' ' A' ' 573' ' ' GLU . 3.0 t -97.48 132.55 41.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 71.04 109.305 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 573' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 572' ' ' VAL . 16.2 pt-20 37.63 43.83 0.48 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 75.31 110.301 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 574' ' ' GLY . . . . . 0.479 ' HA2' ' CD ' ' A' ' 571' ' ' LYS . . . 42.3 54.03 4.76 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.492 1.12 . . . . 62.54 111.007 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 1.1 m -133.75 -78.68 0.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 0.749 . . . . 75.1 110.421 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -101.02 151.69 21.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 63.43 109.581 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 577' ' ' HIS . . . . . 0.745 ' CD2' ' CG ' ' A' ' 652' ' ' TRP . 57.3 m-70 -89.39 130.23 35.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 73.02 109.606 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 578' ' ' VAL . . . . . 0.462 ' CG2' ' O ' ' A' ' 570' ' ' ARG . 19.5 m -137.91 112.16 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 75.14 109.291 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 579' ' ' ASN . . . . . 0.494 ' OD1' ' CE1' ' A' ' 584' ' ' PHE . 1.7 t-20 -80.7 110.2 15.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 74.55 109.272 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 580' ' ' VAL . . . . . 0.476 ' CG1' ' CD2' ' A' ' 630' ' ' LEU . 2.4 t -85.7 138.25 19.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 62.03 109.299 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 581' ' ' ASN . . . . . 0.472 ' CB ' ' HB2' ' A' ' 584' ' ' PHE . 20.7 m-20 178.82 130.34 0.22 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 75.11 109.336 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 582' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -35.0 3.36 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.45 1.763 . . . . 74.04 110.988 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 583' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -78.54 -1.68 35.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 72.34 109.351 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 584' ' ' PHE . . . . . 0.58 ' O ' ' CD2' ' A' ' 588' ' ' TYR . 2.1 t80 -71.47 -31.87 67.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 72.31 111.045 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 585' ' ' SER . . . . . 0.547 ' HA ' ' CE2' ' A' ' 588' ' ' TYR . 13.2 t -59.12 -23.8 62.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 75.11 109.99 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -87.35 -15.76 37.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.153 . . . . 73.21 109.296 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 587' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -94.32 4.14 54.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 74.11 111.0 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 588' ' ' TYR . . . . . 0.58 ' CD2' ' O ' ' A' ' 584' ' ' PHE . 2.5 p90 -163.75 164.91 23.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 74.41 111.003 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 589' ' ' ASN . . . . . 0.433 ' ND2' ' C ' ' A' ' 588' ' ' TYR . 0.4 OUTLIER -133.13 119.04 19.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 74.43 109.264 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 8.9 t -72.67 153.86 7.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 74.34 109.294 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 99.1 p . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 75.52 110.022 179.973 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 604' ' ' TRP . . . . . 0.608 ' CZ2' ' SD ' ' A' ' 623' ' ' MET . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 107.956 -1.127 . . . . 73.3 107.956 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 605' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.06 154.67 58.22 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 74.12 109.314 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 606' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 137.91 22.47 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.515 1.797 . . . . 74.44 110.969 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 607' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 622' ' ' GLN . . . -102.57 -123.07 5.19 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.517 1.136 . . . . 45.41 111.005 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 608' ' ' GLY . . . . . 0.402 ' O ' ' N ' ' A' ' 622' ' ' GLN . . . -143.48 155.74 26.23 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.992 -0.843 . . . . 71.34 110.992 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 19.2 t -53.77 135.6 15.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 0.747 . . . . 75.21 109.315 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 610' ' ' ILE . . . . . 0.471 HG13 ' CA ' ' A' ' 621' ' ' LEU . 0.8 OUTLIER -111.64 147.99 15.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 74.3 109.332 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 42.1 t -144.58 132.45 21.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 74.53 110.005 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 612' ' ' CYS . . . . . 0.407 ' O ' ' N ' ' A' ' 616' ' ' GLY . 14.6 t -58.51 115.24 2.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 72.0 108.326 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 9.0 ttt-85 -65.49 -31.88 73.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 62.24 110.29 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 614' ' ' ASN . . . . . 0.42 ' ND2' HG21 ' A' ' 561' ' ' VAL . 3.4 m120 -58.93 -46.73 87.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 74.22 109.348 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 615' ' ' CYS . . . . . 1.073 ' SG ' ' CB ' ' A' ' 559' ' ' CYS . 0.0 OUTLIER -118.62 -76.46 0.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 71.42 108.276 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 616' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 142.27 44.7 0.05 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.513 1.133 . . . . 35.31 110.971 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -97.02 102.53 14.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 0.771 . . . . 74.34 110.295 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 54.4 t -49.31 97.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 74.45 109.291 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 619' ' ' TRP . . . . . 0.567 ' CE2' ' CE ' ' A' ' 638' ' ' MET . 43.3 m0 -63.72 -47.1 82.44 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.958 -1.127 . . . . 74.4 107.958 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 620' ' ' GLY . . . . . . . . . . . . . . . 169.22 -100.22 0.16 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.532 1.145 . . . . 74.25 111.002 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 621' ' ' LEU . . . . . 0.495 ' C ' ' CD2' ' A' ' 621' ' ' LEU . 0.0 OUTLIER -158.83 169.06 25.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 0.755 . . . . 64.03 109.284 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 622' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 607' ' ' GLY . 0.2 OUTLIER -96.11 161.55 13.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 75.45 110.278 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 623' ' ' MET . . . . . 0.608 ' SD ' ' CZ2' ' A' ' 604' ' ' TRP . 11.6 mtp -148.5 122.23 9.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 75.14 111.031 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 624' ' ' ILE . . . . . . . . . . . . . 4.8 mp -97.97 144.39 11.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 75.31 109.302 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 625' ' ' TYR . . . . . 0.439 ' CD1' ' HG2' ' A' ' 626' ' ' LYS . 15.4 t80 -150.83 108.95 3.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 75.12 110.951 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 626' ' ' LYS . . . . . 0.495 ' O ' ' CB ' ' A' ' 627' ' ' SER . 0.0 OUTLIER 67.74 20.34 9.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 71.1 109.314 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 627' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.3 p 85.6 39.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 71.34 110.036 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 628' ' ' VAL . . . . . 0.462 HG12 ' CG ' ' A' ' 630' ' ' LEU . 51.4 t -129.43 109.91 19.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 64.4 109.295 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 2.7 mmmm -68.84 99.62 1.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 71.32 109.346 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 630' ' ' LEU . . . . . 0.555 HD13 ' CE2' ' A' ' 662' ' ' PHE . 55.8 mt -117.68 111.62 39.4 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 75.02 109.266 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 631' ' ' PRO . . . . . 0.446 ' O ' ' CB ' ' A' ' 578' ' ' VAL . 18.4 Cg_endo -75.0 164.78 32.67 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.5 1.79 . . . . 74.42 111.001 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 632' ' ' VAL . . . . . 0.443 ' CG2' HG11 ' A' ' 578' ' ' VAL . 24.5 t -129.81 92.11 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 62.32 109.254 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 633' ' ' LEU . . . . . 0.562 ' CD1' ' N ' ' A' ' 633' ' ' LEU . 0.0 OUTLIER -95.49 171.47 8.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 74.33 109.31 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 7.9 mtmm -99.77 -169.86 1.81 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 75.41 109.329 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 635' ' ' VAL . . . . . 0.454 HG13 ' CA ' ' A' ' 651' ' ' LYS . 1.3 p -107.99 -20.66 6.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 73.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 636' ' ' ARG . . . . . . . . . . . . . 9.1 ptp180 -92.72 2.06 56.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 71.43 110.322 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 3.2 p -111.56 -20.04 12.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 73.5 109.974 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 638' ' ' MET . . . . . 0.567 ' CE ' ' CE2' ' A' ' 619' ' ' TRP . 35.1 mmt -105.67 146.89 29.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 75.33 111.006 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 639' ' ' LEU . . . . . 0.469 HD22 ' CD ' ' A' ' 646' ' ' ARG . 18.9 tp -107.24 153.26 22.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 74.31 109.276 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 640' ' ' LEU . . . . . 0.441 ' CD1' ' HD2' ' A' ' 656' ' ' PRO . 6.1 mt -121.22 99.68 6.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 74.05 109.283 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -73.74 120.63 19.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 73.23 110.272 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 642' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -130.56 160.09 67.81 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 74.54 110.412 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 1.06 8.14 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.467 1.772 . . . . 75.11 111.037 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -112.11 -1.56 15.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 75.11 110.295 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 118.91 141.83 6.68 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.487 1.117 . . . . 75.5 111.016 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 646' ' ' ARG . . . . . 0.469 ' CD ' HD22 ' A' ' 639' ' ' LEU . 22.8 mtm-85 -49.71 150.97 1.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 0.748 . . . . 74.51 110.308 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 647' ' ' ILE . . . . . . . . . . . . . 36.0 mt -137.36 129.78 42.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 75.51 109.298 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 648' ' ' GLN . . . . . 0.467 ' CG ' HG23 ' A' ' 557' ' ' ILE . 1.0 OUTLIER -125.81 110.7 14.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 74.32 110.297 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 649' ' ' ALA . . . . . . . . . . . . . . . -110.65 166.77 10.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 73.22 109.33 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 24.9 mttp -115.01 -0.37 13.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 75.12 109.296 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 651' ' ' LYS . . . . . 0.454 ' CA ' HG13 ' A' ' 635' ' ' VAL . 16.7 mtpt -137.99 128.73 26.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 75.35 109.337 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 652' ' ' TRP . . . . . 0.745 ' CG ' ' CD2' ' A' ' 577' ' ' HIS . 64.3 m95 -64.41 -24.27 67.57 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.975 -1.121 . . . . 75.5 107.975 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 74.6 m -64.61 -15.32 60.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 73.22 110.003 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 654' ' ' ARG . . . . . . . . . . . . . 5.8 mmt180 -103.75 -25.83 12.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 74.13 110.322 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 655' ' ' VAL . . . . . 0.578 HG13 ' CD2' ' A' ' 657' ' ' PHE . 2.1 t -42.02 134.81 2.36 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 72.42 109.301 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 656' ' ' PRO . . . . . 0.472 ' HB2' ' CB ' ' A' ' 547' ' ' PHE . 18.3 Cg_endo -74.99 -56.3 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.487 1.783 . . . . 74.3 110.984 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 657' ' ' PHE . . . . . 0.578 ' CD2' HG13 ' A' ' 655' ' ' VAL . 19.2 p90 -59.86 149.1 32.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.144 . . . . 72.51 110.928 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 36.5 m -84.37 146.78 27.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 74.14 109.989 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 659' ' ' VAL . . . . . 0.53 HG21 ' CE1' ' A' ' 657' ' ' PHE . 1.5 t -123.58 103.56 34.69 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 74.34 109.339 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 660' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 150.98 38.87 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.49 1.784 . . . . 73.42 111.026 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 5.2 p30 -77.5 164.53 25.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 53.34 109.28 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 662' ' ' PHE . . . . . 0.555 ' CE2' HD13 ' A' ' 630' ' ' LEU . 39.9 t80 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 74.23 111.031 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.976 -0.849 . . . . 64.01 110.976 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -166.02 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.511 1.795 . . . . 71.24 110.992 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 544' ' ' HIS . . . . . 0.44 ' O ' ' N ' ' A' ' 546' ' ' GLN . 9.5 m80 64.09 55.72 1.49 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 75.44 109.563 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 545' ' ' MET . . . . . 0.403 ' C ' ' O ' ' A' ' 544' ' ' HIS . 0.0 OUTLIER -37.8 95.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 73.22 111.004 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 546' ' ' GLN . . . . . 0.604 ' C ' ' CD1' ' A' ' 547' ' ' PHE . 0.9 OUTLIER -114.85 130.18 56.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 62.12 110.285 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 547' ' ' PHE . . . . . 0.604 ' CD1' ' C ' ' A' ' 546' ' ' GLN . 22.1 m-85 -152.77 104.8 2.68 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.15 . . . . 74.04 110.966 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 548' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 145.27 31.22 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.455 1.766 . . . . 75.32 110.955 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 35.1 m -54.18 -44.02 62.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 72.52 109.316 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -56.36 -21.89 27.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 74.35 110.314 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 8.6 m170 -97.38 -23.43 16.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 75.11 109.603 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 552' ' ' VAL . . . . . 0.549 HG11 ' CD1' ' A' ' 657' ' ' PHE . 38.3 t -92.68 121.71 43.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 70.14 109.269 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -109.52 144.83 37.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 75.43 110.263 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -84.66 113.17 21.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 72.22 109.332 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 555' ' ' LEU . . . . . 0.481 HD22 ' CB ' ' A' ' 562' ' ' ALA . 0.2 OUTLIER -133.41 -179.98 5.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 75.13 109.324 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 556' ' ' CYS . . . . . 0.542 ' O ' ' N ' ' A' ' 560' ' ' MET . 5.6 t -107.59 103.27 12.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 114.996 -1.002 . . . . 75.45 110.875 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 557' ' ' ILE . . . . . 0.494 ' CD1' ' O ' ' A' ' 636' ' ' ARG . 1.6 pt -35.58 -33.86 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 74.35 109.333 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 558' ' ' ASN . . . . . 0.489 ' N ' ' O ' ' A' ' 556' ' ' CYS . 7.5 m-20 -77.75 -61.47 1.98 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 75.43 109.328 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 559' ' ' CYS . . . . . 0.456 ' O ' ' HB2' ' A' ' 560' ' ' MET . 3.8 m -74.85 -69.36 0.47 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 72.2 108.29 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 560' ' ' MET . . . . . 0.542 ' N ' ' O ' ' A' ' 556' ' ' CYS . 26.9 mtm 76.92 49.26 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 72.33 111.004 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 561' ' ' VAL . . . . . 0.493 ' O ' ' CB ' ' A' ' 562' ' ' ALA . 1.0 OUTLIER -116.22 -1.97 9.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 72.21 109.257 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 562' ' ' ALA . . . . . 0.493 ' CB ' ' O ' ' A' ' 561' ' ' VAL . . . 83.26 104.32 0.06 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.538 1.149 . . . . 60.34 109.297 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 563' ' ' VAL . . . . . 0.538 HG12 ' CD1' ' A' ' 587' ' ' TYR . 2.2 m -101.34 -6.66 9.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 74.24 109.332 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -179.08 -156.28 16.93 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.547 1.155 . . . . 71.1 110.997 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 565' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 -129.09 143.58 50.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 73.42 109.607 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . -72.62 -2.77 56.88 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.478 1.111 . . . . 72.14 111.017 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 20.7 p -114.32 9.5 16.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 0.797 . . . . 70.51 110.044 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 568' ' ' ASP . . . . . 0.451 ' O ' ' NH1' ' A' ' 570' ' ' ARG . 3.1 m-20 -114.08 -10.79 12.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 75.24 109.298 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 569' ' ' LEU . . . . . 0.475 ' C ' ' CD1' ' A' ' 569' ' ' LEU . 0.2 OUTLIER -91.75 163.42 14.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 74.44 109.315 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 570' ' ' ARG . . . . . 0.492 ' NH2' ' NE2' ' A' ' 667' ' ' HIS . 0.6 OUTLIER -147.28 179.17 7.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 74.44 110.263 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 571' ' ' LYS . . . . . 0.449 ' CG ' ' HA ' ' A' ' 661' ' ' ASP . 7.9 ptpt -115.91 158.58 22.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 64.14 109.285 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 2.8 t -123.14 112.37 33.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 73.4 109.311 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 573' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 41.43 35.81 0.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 74.12 110.33 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 41.86 49.42 5.15 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.534 1.146 . . . . 73.5 110.97 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 3.2 m -119.9 -40.88 2.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 0.734 . . . . 75.54 110.375 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 9.2 m80 -158.56 128.25 5.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 74.33 109.599 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 577' ' ' HIS . . . . . 0.774 ' CD2' ' CE3' ' A' ' 652' ' ' TRP . 2.5 m80 -72.25 140.36 48.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 74.21 109.593 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 578' ' ' VAL . . . . . . . . . . . . . 5.1 m -142.26 123.05 11.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 75.3 109.266 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 579' ' ' ASN . . . . . 0.469 ' OD1' ' CE1' ' A' ' 584' ' ' PHE . 1.9 t-20 -89.34 108.45 19.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 72.35 109.287 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 580' ' ' VAL . . . . . 0.454 HG11 ' CD2' ' A' ' 630' ' ' LEU . 3.6 t -77.77 135.72 25.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 72.33 109.279 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 581' ' ' ASN . . . . . 0.472 ' CB ' ' HB2' ' A' ' 584' ' ' PHE . 3.2 m120 179.51 129.84 0.23 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 74.2 109.304 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 582' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -35.25 3.25 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.494 1.786 . . . . 71.4 111.028 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 583' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -78.68 -1.01 32.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 62.43 109.311 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 584' ' ' PHE . . . . . 0.506 ' O ' ' CD2' ' A' ' 588' ' ' TYR . 3.6 t80 -70.97 -31.76 68.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 75.12 111.013 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 585' ' ' SER . . . . . 0.544 ' HA ' ' CE2' ' A' ' 588' ' ' TYR . 1.5 t -57.93 -23.87 55.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 54.44 110.034 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -87.53 -17.86 31.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.153 . . . . 75.01 109.341 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 587' ' ' TYR . . . . . 0.538 ' CD1' HG12 ' A' ' 563' ' ' VAL . 5.8 m-85 -93.05 3.79 55.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 74.43 111.059 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 588' ' ' TYR . . . . . 0.574 ' CD1' ' C ' ' A' ' 588' ' ' TYR . 1.3 p90 -162.87 159.3 23.63 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 74.32 110.973 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 589' ' ' ASN . . . . . 0.417 ' ND2' ' HB2' ' A' ' 613' ' ' ARG . 33.1 m-80 -129.67 127.69 41.05 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.538 1.149 . . . . 74.42 109.301 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 590' ' ' VAL . . . . . 0.45 ' CG1' ' HA3' ' A' ' 608' ' ' GLY . 14.5 t -74.44 133.85 30.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 65.24 109.288 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 30.9 t -56.06 174.57 0.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 73.22 110.017 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 28.4 mtm-85 -75.4 -58.97 2.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 73.42 110.293 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -44.93 152.95 0.52 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 74.31 109.297 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -89.64 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.508 1.794 . . . . 61.54 111.002 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 76.5 t -106.1 128.48 60.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 75.31 109.287 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 596' ' ' VAL . . . . . . . . . . . . . 2.2 t -134.74 78.6 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.432 1.083 . . . . 54.21 109.265 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 597' ' ' ILE . . . . . 0.49 ' CG2' ' N ' ' A' ' 598' ' ' ASN . 2.4 mt -143.68 163.52 15.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 74.43 109.275 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 598' ' ' ASN . . . . . 0.49 ' N ' ' CG2' ' A' ' 597' ' ' ILE . 74.1 m-80 -54.11 -61.58 2.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 75.23 109.32 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 1.4 pptp? -133.86 177.32 7.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 72.42 109.291 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 600' ' ' VAL . . . . . . . . . . . . . 12.4 t -106.42 152.39 8.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 74.43 109.305 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 601' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -107.39 165.52 11.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.148 . . . . 75.4 110.993 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 10.2 mptt -102.8 -56.8 2.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 75.45 109.269 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -42.11 -31.64 0.39 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 71.12 109.274 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 604' ' ' TRP . . . . . 0.407 ' CE3' ' HB3' ' A' ' 623' ' ' MET . 0.4 OUTLIER -156.74 164.44 38.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 71.23 108.04 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 605' ' ' LYS . . . . . . . . . . . . . 11.2 pttt -114.23 156.15 44.67 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.125 . . . . 74.31 109.342 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 606' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 173.11 15.08 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.524 1.802 . . . . 62.21 111.003 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 607' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 622' ' ' GLN . . . -132.37 -108.41 1.13 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.499 1.124 . . . . 70.05 110.975 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 608' ' ' GLY . . . . . 0.45 ' HA3' ' CG1' ' A' ' 590' ' ' VAL . . . -140.61 147.58 19.24 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.034 -0.827 . . . . 74.12 111.034 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 57.9 t -53.8 125.92 9.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.515 0.774 . . . . 72.4 109.336 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 610' ' ' ILE . . . . . 0.472 HG13 ' CA ' ' A' ' 621' ' ' LEU . 0.7 OUTLIER -95.27 146.49 6.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 75.13 109.268 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -148.77 121.38 8.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 74.2 110.012 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 612' ' ' CYS . . . . . 0.455 ' O ' ' N ' ' A' ' 616' ' ' GLY . 32.4 t -48.35 118.58 2.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.117 . . . . 60.11 108.289 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 613' ' ' ARG . . . . . 0.417 ' HB2' ' ND2' ' A' ' 589' ' ' ASN . 9.0 ttt180 -70.18 -26.25 63.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 74.45 110.288 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 614' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -66.01 -38.09 87.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 74.2 109.302 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 615' ' ' CYS . . . . . 0.423 ' SG ' ' N ' ' A' ' 559' ' ' CYS . 1.1 m -124.29 -74.03 0.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 72.31 108.324 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 616' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 148.79 -18.02 1.25 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.523 1.139 . . . . 74.12 110.994 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -42.73 102.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 0.763 . . . . 64.5 110.313 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 618' ' ' VAL . . . . . 0.444 ' O ' ' NZ ' ' A' ' 634' ' ' LYS . 24.0 t -50.46 124.8 3.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.13 . . . . 75.33 109.322 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 619' ' ' TRP . . . . . 0.566 ' CZ2' ' HE2' ' A' ' 638' ' ' MET . 42.8 m0 -85.19 -39.29 18.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 75.41 108.006 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 620' ' ' GLY . . . . . . . . . . . . . . . 159.23 -102.95 0.22 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.436 1.085 . . . . 73.01 110.978 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 621' ' ' LEU . . . . . 0.496 ' CD2' ' O ' ' A' ' 622' ' ' GLN . 0.0 OUTLIER -157.54 154.92 29.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 0.74 . . . . 74.22 109.303 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 622' ' ' GLN . . . . . 0.496 ' O ' ' CD2' ' A' ' 621' ' ' LEU . 1.4 tt0 -85.37 135.1 34.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 75.33 110.266 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 623' ' ' MET . . . . . 0.44 ' CG ' HG23 ' A' ' 632' ' ' VAL . 9.6 mmt -116.31 142.04 47.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 72.32 111.036 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 624' ' ' ILE . . . . . . . . . . . . . 4.8 mp -114.39 143.67 23.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 74.14 109.33 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 625' ' ' TYR . . . . . 0.448 ' CD1' ' NZ ' ' A' ' 626' ' ' LYS . 14.6 t80 -151.51 107.67 3.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 74.04 110.991 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 626' ' ' LYS . . . . . 0.528 ' HG2' ' CZ ' ' A' ' 664' ' ' PHE . 0.0 OUTLIER 70.19 18.92 6.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 74.52 109.296 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 627' ' ' SER . . . . . 0.486 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.2 p 85.11 40.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 75.25 110.023 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 628' ' ' VAL . . . . . 0.439 HG11 ' CG ' ' A' ' 630' ' ' LEU . 52.9 t -126.46 114.6 38.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 75.44 109.321 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 629' ' ' LYS . . . . . 0.47 ' CE ' ' OE1' ' A' ' 622' ' ' GLN . 6.1 mmmm -72.72 100.06 2.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 72.43 109.308 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 630' ' ' LEU . . . . . 0.545 HD12 ' CD1' ' A' ' 662' ' ' PHE . 54.8 mt -117.6 111.72 39.47 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 73.21 109.305 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 631' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 133.64 16.84 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.499 1.789 . . . . 72.3 110.98 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 632' ' ' VAL . . . . . 0.44 HG23 ' CG ' ' A' ' 623' ' ' MET . 38.2 t -102.22 103.72 15.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 72.21 109.303 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 633' ' ' LEU . . . . . 0.553 ' CD1' ' N ' ' A' ' 633' ' ' LEU . 0.0 OUTLIER -106.93 171.52 7.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 75.03 109.313 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 634' ' ' LYS . . . . . 0.444 ' NZ ' ' O ' ' A' ' 618' ' ' VAL . 11.4 mtmm -97.78 -173.75 2.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 72.41 109.302 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 635' ' ' VAL . . . . . 0.539 ' CG1' ' N ' ' A' ' 651' ' ' LYS . 5.6 p -106.43 -15.12 8.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 72.14 109.335 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 636' ' ' ARG . . . . . 0.494 ' O ' ' CD1' ' A' ' 557' ' ' ILE . 0.0 OUTLIER -91.4 -22.14 20.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 72.33 110.329 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.57 -13.68 36.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 65.42 109.995 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 638' ' ' MET . . . . . 0.566 ' HE2' ' CZ2' ' A' ' 619' ' ' TRP . 33.6 mmt -108.16 147.17 31.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 73.43 110.994 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 639' ' ' LEU . . . . . 0.463 ' CD2' ' HD2' ' A' ' 646' ' ' ARG . 10.5 tp -112.75 140.47 47.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 74.35 109.28 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 640' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -108.5 92.5 4.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 71.41 109.301 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . 0.45 ' HB2' ' CD1' ' A' ' 555' ' ' LEU . 4.3 mt-10 -73.57 117.15 14.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 74.2 110.281 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 642' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -128.41 159.84 65.48 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 64.5 110.403 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 2.48 6.57 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.512 1.796 . . . . 74.13 111.06 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 644' ' ' GLN . . . . . 0.444 ' NE2' ' O ' ' A' ' 546' ' ' GLN . 3.2 mt-30 -113.45 -6.26 13.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 74.32 110.332 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 127.4 145.57 6.21 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.523 1.139 . . . . 72.12 111.009 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 646' ' ' ARG . . . . . 0.463 ' HD2' ' CD2' ' A' ' 639' ' ' LEU . 57.2 mtm180 -63.41 153.3 35.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 0.777 . . . . 71.24 110.3 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 647' ' ' ILE . . . . . . . . . . . . . 15.8 mt -138.43 136.12 44.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 75.42 109.313 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 648' ' ' GLN . . . . . 0.443 ' CG ' HG23 ' A' ' 557' ' ' ILE . 1.0 OUTLIER -133.13 109.13 9.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 75.23 110.284 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 649' ' ' ALA . . . . . . . . . . . . . . . -107.93 164.82 11.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 44.14 109.272 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 650' ' ' LYS . . . . . 0.49 ' C ' ' CG1' ' A' ' 635' ' ' VAL . 56.4 mttt -109.39 -3.14 17.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 72.31 109.289 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 651' ' ' LYS . . . . . 0.539 ' N ' ' CG1' ' A' ' 635' ' ' VAL . 7.2 mmmt -142.75 131.94 23.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 64.44 109.276 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 652' ' ' TRP . . . . . 0.774 ' CE3' ' CD2' ' A' ' 577' ' ' HIS . 67.7 m95 -62.66 -15.55 52.68 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.995 -1.113 . . . . 72.52 107.995 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 36.7 t -67.17 -9.38 39.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 73.31 109.957 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 654' ' ' ARG . . . . . 0.408 ' O ' ' C ' ' A' ' 655' ' ' VAL . 7.0 mmt180 -114.2 -14.14 12.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.547 1.154 . . . . 74.53 110.357 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 655' ' ' VAL . . . . . 0.568 HG13 ' CZ ' ' A' ' 657' ' ' PHE . 2.3 t -39.94 128.83 1.58 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 75.13 109.296 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 656' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -51.85 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.482 1.78 . . . . 71.52 110.992 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 657' ' ' PHE . . . . . 0.568 ' CZ ' HG13 ' A' ' 655' ' ' VAL . 54.9 p90 -67.26 164.61 17.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 75.01 110.967 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 1.1 m -88.55 147.36 24.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 75.35 110.038 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 659' ' ' VAL . . . . . 0.563 HG13 ' CD2' ' A' ' 577' ' ' HIS . 2.8 t -132.87 96.87 17.55 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 74.3 109.288 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 660' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 151.01 39.14 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.454 1.765 . . . . 74.42 111.003 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 661' ' ' ASP . . . . . 0.449 ' HA ' ' CG ' ' A' ' 571' ' ' LYS . 1.1 p30 -68.27 155.45 39.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 74.15 109.274 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 662' ' ' PHE . . . . . 0.67 ' CZ ' ' CG ' ' A' ' 667' ' ' HIS . 76.9 t80 -63.43 108.23 1.29 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 75.44 110.982 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 663' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -69.99 93.52 0.79 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 63.11 109.324 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 664' ' ' PHE . . . . . 0.528 ' CZ ' ' HG2' ' A' ' 626' ' ' LYS . 28.2 t80 -66.51 -29.24 69.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 73.35 110.969 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 59.4 mt -58.88 -42.55 89.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 72.35 109.279 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 666' ' ' GLN . . . . . 0.429 ' O ' ' N ' ' A' ' 670' ' ' GLU . 7.8 tp60 -74.45 -57.3 4.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.155 . . . . 71.34 110.292 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 667' ' ' HIS . . . . . 0.67 ' CG ' ' CZ ' ' A' ' 662' ' ' PHE . 43.4 m-70 -50.12 -32.49 16.05 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 74.11 109.634 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 668' ' ' CYS . . . . . . . . . . . . . 14.9 t -77.15 -35.27 56.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 62.41 108.248 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 669' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 666' ' ' GLN . . . -79.6 -11.45 59.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 72.3 109.268 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 670' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 666' ' ' GLN . 1.6 mm-40 -105.55 -14.09 15.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 75.35 110.308 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -104.98 -27.91 11.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 64.44 109.286 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 3.2 mt -96.78 -57.73 2.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 75.35 109.27 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 1.3 m 65.48 21.78 11.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 70.54 109.954 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -72.61 -15.12 61.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 71.41 109.294 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 675' ' ' LEU . . . . . 0.417 HD12 ' N ' ' A' ' 675' ' ' LEU . 0.3 OUTLIER -71.85 -64.73 0.87 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 74.11 109.31 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 676' ' ' SER . . . . . . . . . . . . . 4.1 p -174.35 171.54 3.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 63.11 110.033 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -115.71 -48.39 2.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 54.42 109.29 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 23.7 t70 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 75.53 109.293 -179.984 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 679' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 110.996 -0.841 . . . . 62.33 110.996 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -165.16 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.479 1.778 . . . . 73.52 111.014 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 544' ' ' HIS . . . . . 0.406 ' O ' ' CE ' ' A' ' 545' ' ' MET . 7.9 m170 -90.97 166.28 13.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 64.31 109.626 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 545' ' ' MET . . . . . 0.406 ' CE ' ' O ' ' A' ' 544' ' ' HIS . 0.3 OUTLIER -110.97 74.84 0.89 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 75.11 110.967 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 546' ' ' GLN . . . . . 0.599 ' C ' ' CD1' ' A' ' 547' ' ' PHE . 24.1 mt-30 -137.94 137.26 37.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 74.33 110.315 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 547' ' ' PHE . . . . . 0.599 ' CD1' ' C ' ' A' ' 546' ' ' GLN . 0.1 OUTLIER -155.58 102.9 2.17 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 73.32 110.972 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 548' ' ' PRO . . . . . 0.448 ' HB2' ' CG ' ' A' ' 550' ' ' GLU . 18.3 Cg_endo -74.97 137.27 21.57 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.498 1.788 . . . . 74.51 110.969 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 21.3 m -48.86 -40.49 12.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 73.32 109.303 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 550' ' ' GLU . . . . . 0.448 ' CG ' ' HB2' ' A' ' 548' ' ' PRO . 3.0 pt-20 -57.02 -34.82 68.56 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.481 1.113 . . . . 74.21 110.306 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 11.2 m170 -84.26 -14.8 48.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 73.33 109.584 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 552' ' ' VAL . . . . . 0.414 ' CG2' ' HB3' ' A' ' 657' ' ' PHE . 58.4 t -95.43 126.24 47.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 63.53 109.284 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -114.98 143.95 44.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.085 . . . . 75.44 110.277 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -85.17 115.77 23.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 65.53 109.318 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 555' ' ' LEU . . . . . 0.527 HD22 ' CA ' ' A' ' 562' ' ' ALA . 0.2 OUTLIER -134.65 -179.54 5.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.135 . . . . 71.55 109.308 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 556' ' ' CYS . . . . . 0.523 ' O ' ' N ' ' A' ' 558' ' ' ASN . 3.8 t -110.18 100.78 9.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.01 -0.995 . . . . 73.52 110.886 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 557' ' ' ILE . . . . . 0.508 ' C ' ' O ' ' A' ' 556' ' ' CYS . 1.1 pt -32.21 -37.54 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 71.12 109.253 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 558' ' ' ASN . . . . . 0.523 ' N ' ' O ' ' A' ' 556' ' ' CYS . 3.3 m120 -73.74 -64.4 1.01 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 74.04 109.303 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 559' ' ' CYS . . . . . 0.475 ' O ' ' HB2' ' A' ' 560' ' ' MET . 9.9 m -73.8 -70.35 0.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 70.3 108.286 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 560' ' ' MET . . . . . 0.52 ' N ' ' O ' ' A' ' 556' ' ' CYS . 26.9 mtm 78.17 43.92 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 73.23 111.038 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 561' ' ' VAL . . . . . 0.501 ' CG2' ' ND2' ' A' ' 614' ' ' ASN . 0.9 OUTLIER -113.06 15.62 8.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.168 . . . . 74.15 109.3 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 562' ' ' ALA . . . . . 0.527 ' CA ' HD22 ' A' ' 555' ' ' LEU . . . 65.91 108.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 74.12 109.316 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 563' ' ' VAL . . . . . 0.467 HG12 ' CD1' ' A' ' 587' ' ' TYR . 1.4 m -107.83 -6.14 10.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.471 1.107 . . . . 73.5 109.315 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -178.4 -159.31 22.72 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.528 1.142 . . . . 72.32 111.017 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 565' ' ' HIS . . . . . . . . . . . . . 68.9 m80 -127.47 144.05 51.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 0.763 . . . . 75.44 109.604 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . -70.94 -20.26 77.61 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.504 1.128 . . . . 60.32 110.972 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 19.8 t -101.54 10.78 39.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 0.771 . . . . 72.12 109.962 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -108.6 -20.93 12.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 62.43 109.277 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 569' ' ' LEU . . . . . 0.499 ' C ' ' CD1' ' A' ' 569' ' ' LEU . 0.2 OUTLIER -83.4 166.23 18.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 75.12 109.335 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 570' ' ' ARG . . . . . 0.409 ' CG ' ' O ' ' A' ' 569' ' ' LEU . 49.9 mtt-85 -158.59 144.62 16.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 73.41 110.302 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 571' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 662' ' ' PHE . 5.0 ttpt -73.54 158.62 34.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 72.53 109.29 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 572' ' ' VAL . . . . . 0.455 ' O ' ' CG ' ' A' ' 573' ' ' GLU . 2.7 t -119.11 113.7 42.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 74.41 109.267 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 573' ' ' GLU . . . . . 0.455 ' CG ' ' O ' ' A' ' 572' ' ' VAL . 11.7 pt-20 46.2 30.87 1.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 74.41 110.312 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 51.78 59.4 8.67 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.528 1.142 . . . . 72.55 110.982 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 1.9 m -131.35 -71.59 0.56 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 0.798 . . . . 74.25 110.368 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -124.38 151.14 44.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 72.14 109.581 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 577' ' ' HIS . . . . . 0.663 ' CD2' ' CD2' ' A' ' 652' ' ' TRP . 48.6 m-70 -83.91 119.14 24.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.107 . . . . 75.12 109.614 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 578' ' ' VAL . . . . . 0.476 ' CB ' ' O ' ' A' ' 631' ' ' PRO . 15.9 m -122.69 124.17 69.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 74.53 109.305 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 579' ' ' ASN . . . . . 0.459 ' HA ' ' CB ' ' A' ' 569' ' ' LEU . 2.7 t-20 -95.6 109.04 21.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 61.42 109.312 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 580' ' ' VAL . . . . . 0.476 ' CG1' ' CE1' ' A' ' 667' ' ' HIS . 3.3 t -78.53 137.47 21.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 73.15 109.318 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 581' ' ' ASN . . . . . 0.426 ' CB ' ' HB2' ' A' ' 584' ' ' PHE . 3.2 m120 178.81 128.72 0.22 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 73.25 109.333 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 582' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -29.09 8.7 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.479 1.778 . . . . 71.25 111.008 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 583' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -83.06 -5.1 58.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 73.31 109.329 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 584' ' ' PHE . . . . . 0.52 ' O ' ' CD2' ' A' ' 588' ' ' TYR . 2.9 t80 -66.37 -34.06 77.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 75.34 110.983 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 585' ' ' SER . . . . . 0.553 ' HA ' ' CE2' ' A' ' 588' ' ' TYR . 43.4 m -58.26 -24.97 61.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 73.24 109.977 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 19.1 m-20 -87.35 -16.31 35.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 72.03 109.266 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 587' ' ' TYR . . . . . 0.467 ' CD1' HG12 ' A' ' 563' ' ' VAL . 4.8 m-85 -93.28 -1.9 55.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 74.3 111.01 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 588' ' ' TYR . . . . . 0.575 ' CD1' ' C ' ' A' ' 588' ' ' TYR . 1.7 p90 -156.33 157.21 35.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 74.31 111.01 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 589' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -126.89 121.94 33.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 65.24 109.292 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 7.2 t -72.58 134.79 29.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 74.42 109.287 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 10.7 t -51.36 169.43 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 73.24 110.001 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 24.7 mtt-85 -69.79 -45.95 66.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 74.44 110.296 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -59.89 159.62 19.1 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 75.2 109.276 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -89.56 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.536 1.809 . . . . 74.42 110.983 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 21.4 t -110.75 132.3 59.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 75.22 109.3 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 596' ' ' VAL . . . . . . . . . . . . . 2.1 t -135.52 81.36 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 75.2 109.303 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 597' ' ' ILE . . . . . 0.419 ' CD1' ' HG ' ' A' ' 621' ' ' LEU . 2.9 mm -134.36 163.39 37.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 72.42 109.286 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 598' ' ' ASN . . . . . 0.407 ' N ' ' CG2' ' A' ' 597' ' ' ILE . 30.1 m-20 -69.48 -54.8 12.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 74.43 109.305 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 599' ' ' LYS . . . . . 0.412 ' HD3' ' N ' ' A' ' 600' ' ' VAL . 0.0 OUTLIER -125.02 174.51 7.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 73.3 109.304 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 600' ' ' VAL . . . . . 0.412 ' N ' ' HD3' ' A' ' 599' ' ' LYS . 15.3 t -115.38 151.27 17.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 74.21 109.283 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 601' ' ' PHE . . . . . 0.424 ' CD1' ' HE1' ' A' ' 623' ' ' MET . 58.4 m-85 -107.17 168.15 9.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 70.43 111.022 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 602' ' ' LYS . . . . . 0.441 ' C ' ' N ' ' A' ' 604' ' ' TRP . 2.2 mmmp? -108.77 -57.97 2.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 72.04 109.279 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -40.55 -29.99 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 73.21 109.286 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 604' ' ' TRP . . . . . 0.528 ' CE3' ' HB3' ' A' ' 623' ' ' MET . 0.4 OUTLIER -156.98 162.8 39.59 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.99 -1.115 . . . . 72.11 107.99 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 605' ' ' LYS . . . . . . . . . . . . . 13.0 pttt -108.86 156.28 39.28 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.465 1.103 . . . . 73.41 109.29 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 606' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 176.98 9.18 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.458 1.767 . . . . 72.12 111.05 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 607' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 622' ' ' GLN . . . -137.34 -104.75 0.7 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.539 1.149 . . . . 51.34 111.035 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 608' ' ' GLY . . . . . . . . . . . . . . . -144.07 145.12 14.45 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.029 -0.828 . . . . 65.12 111.029 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 88.5 t -51.09 132.19 12.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 0.774 . . . . 74.33 109.265 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 610' ' ' ILE . . . . . 0.463 HG13 ' CA ' ' A' ' 621' ' ' LEU . 0.7 OUTLIER -103.04 154.9 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 75.3 109.302 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 5.8 p -157.23 143.83 18.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 74.45 110.051 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 612' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 616' ' ' GLY . 16.1 t -66.34 118.59 10.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 74.34 108.309 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -72.34 -24.07 61.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 72.44 110.317 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 614' ' ' ASN . . . . . 0.501 ' ND2' ' CG2' ' A' ' 561' ' ' VAL . 94.1 m-20 -70.19 -32.1 69.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 75.23 109.261 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 615' ' ' CYS . . . . . 0.443 ' N ' ' SG ' ' A' ' 559' ' ' CYS . 0.7 OUTLIER -129.8 -74.33 0.55 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 65.52 108.277 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 616' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 150.99 -19.25 0.96 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.496 1.122 . . . . 71.32 111.017 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -42.5 103.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 0.766 . . . . 73.02 110.272 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 18.1 t -49.28 138.0 4.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.49 1.119 . . . . 74.51 109.314 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 619' ' ' TRP . . . . . 0.569 ' CZ2' ' HE1' ' A' ' 638' ' ' MET . 47.3 m0 -101.17 -36.77 8.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 73.35 108.028 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 620' ' ' GLY . . . . . . . . . . . . . . . 156.0 -116.12 0.7 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.532 1.145 . . . . 74.42 111.008 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 621' ' ' LEU . . . . . 0.498 ' CD2' ' O ' ' A' ' 622' ' ' GLN . 0.0 OUTLIER -147.33 154.67 41.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.471 0.747 . . . . 72.11 109.341 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 622' ' ' GLN . . . . . 0.498 ' O ' ' CD2' ' A' ' 621' ' ' LEU . 0.9 OUTLIER -84.63 134.6 34.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 72.03 110.335 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 623' ' ' MET . . . . . 0.528 ' HB3' ' CE3' ' A' ' 604' ' ' TRP . 6.3 mmt -116.84 141.69 47.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 73.13 110.978 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 624' ' ' ILE . . . . . . . . . . . . . 4.7 mp -111.54 143.62 21.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 71.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 625' ' ' TYR . . . . . 0.457 ' C ' ' CD1' ' A' ' 625' ' ' TYR . 0.4 OUTLIER -145.45 105.56 4.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 73.35 110.99 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 626' ' ' LYS . . . . . 0.493 ' HA ' ' CE ' ' A' ' 626' ' ' LYS . 0.1 OUTLIER 63.39 28.01 15.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 71.23 109.331 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 627' ' ' SER . . . . . 0.451 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.3 p 81.33 40.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 72.21 110.003 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 628' ' ' VAL . . . . . 0.474 HG12 ' CG ' ' A' ' 630' ' ' LEU . 55.3 t -125.36 115.66 44.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 75.02 109.305 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 11.3 mmmt -72.64 99.84 2.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 74.04 109.271 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 630' ' ' LEU . . . . . 0.533 HD11 ' CD2' ' A' ' 662' ' ' PHE . 53.1 mt -121.7 111.72 32.75 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 74.41 109.293 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 631' ' ' PRO . . . . . 0.476 ' O ' ' CB ' ' A' ' 578' ' ' VAL . 18.3 Cg_endo -74.99 157.05 43.02 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.5 1.789 . . . . 70.5 110.99 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 632' ' ' VAL . . . . . 0.449 HG21 ' CG1' ' A' ' 578' ' ' VAL . 43.0 t -123.18 98.7 5.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 71.45 109.281 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 633' ' ' LEU . . . . . 0.565 ' CD1' ' N ' ' A' ' 633' ' ' LEU . 0.0 OUTLIER -100.81 171.5 7.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 74.32 109.31 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 634' ' ' LYS . . . . . 0.426 ' HE3' ' CG ' ' A' ' 636' ' ' ARG . 0.9 OUTLIER -101.41 -174.83 2.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 74.35 109.291 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 635' ' ' VAL . . . . . 0.517 ' HB ' ' CD1' ' A' ' 652' ' ' TRP . 11.4 p -106.97 -24.12 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 73.05 109.312 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 636' ' ' ARG . . . . . 0.426 ' CG ' ' HE3' ' A' ' 634' ' ' LYS . 13.1 ptt180 -84.17 -5.56 59.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 71.51 110.348 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 30.9 t -112.47 -16.97 12.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 74.52 110.043 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 638' ' ' MET . . . . . 0.569 ' HE1' ' CZ2' ' A' ' 619' ' ' TRP . 34.0 mmt -104.92 125.41 50.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 73.34 111.017 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 639' ' ' LEU . . . . . . . . . . . . . 21.8 tp -88.63 149.73 23.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 75.33 109.345 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 640' ' ' LEU . . . . . 0.455 HD22 ' CE2' ' A' ' 657' ' ' PHE . 11.4 mt -120.51 103.26 9.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 74.41 109.292 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -74.19 134.48 42.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 74.42 110.26 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 642' ' ' THR . . . . . 0.466 HG23 ' CD1' ' A' ' 647' ' ' ILE . 7.4 p -142.07 158.87 60.8 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 64.3 110.411 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -18.01 19.01 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.488 1.783 . . . . 74.23 110.97 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -91.68 -6.16 52.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 65.1 110.307 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 123.87 131.86 3.82 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.495 1.122 . . . . 45.14 110.986 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 20.6 mtm-85 -39.55 155.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 0.758 . . . . 75.43 110.292 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 647' ' ' ILE . . . . . 0.466 ' CD1' HG23 ' A' ' 642' ' ' THR . 21.4 mt -139.08 131.06 36.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 73.13 109.337 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 648' ' ' GLN . . . . . 0.477 ' CG ' HG21 ' A' ' 557' ' ' ILE . 0.1 OUTLIER -134.59 112.26 10.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 73.23 110.272 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 649' ' ' ALA . . . . . 0.465 ' CB ' ' HB2' ' A' ' 654' ' ' ARG . . . -107.65 -177.77 3.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 73.24 109.338 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 22.5 mttt -110.45 -21.09 12.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 75.51 109.259 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 651' ' ' LYS . . . . . 0.446 ' CA ' HG13 ' A' ' 635' ' ' VAL . 2.1 mmmm -134.12 150.04 51.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.122 . . . . 73.54 109.323 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 652' ' ' TRP . . . . . 0.663 ' CD2' ' CD2' ' A' ' 577' ' ' HIS . 47.2 m95 -66.13 -16.38 63.91 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.963 -1.125 . . . . 75.11 107.963 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 15.5 m -64.13 -11.88 34.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 63.23 109.989 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 654' ' ' ARG . . . . . 0.465 ' HB2' ' CB ' ' A' ' 649' ' ' ALA . 8.4 mmt180 -105.79 -26.55 11.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 63.34 110.273 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 655' ' ' VAL . . . . . 0.576 HG12 ' CD2' ' A' ' 657' ' ' PHE . 2.3 t -40.25 126.4 1.72 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 72.01 109.342 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 656' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -50.87 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.494 1.787 . . . . 70.22 110.99 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 657' ' ' PHE . . . . . 0.576 ' CD2' HG12 ' A' ' 655' ' ' VAL . 17.4 p90 -62.61 149.92 42.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 74.24 110.984 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -85.27 145.25 27.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 55.25 110.005 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 659' ' ' VAL . . . . . 0.522 HG21 ' CE1' ' A' ' 657' ' ' PHE . 2.0 t -119.68 98.63 49.79 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 73.42 109.279 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 660' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 147.44 33.88 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.54 1.811 . . . . 75.03 111.012 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -63.05 162.73 11.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 75.33 109.323 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 662' ' ' PHE . . . . . 0.533 ' CD2' HD11 ' A' ' 630' ' ' LEU . 5.0 t80 -89.86 124.43 34.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 74.42 111.034 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 663' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.21 105.59 15.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 72.21 109.279 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 664' ' ' PHE . . . . . 0.498 ' O ' ' CB ' ' A' ' 668' ' ' CYS . 62.2 t80 -64.66 -25.8 68.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 75.32 111.021 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 2.9 mt -59.21 -52.65 64.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.456 1.097 . . . . 73.24 109.26 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 29.9 tp60 -78.25 -54.2 6.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 72.15 110.272 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 667' ' ' HIS . . . . . 0.476 ' CE1' ' CG1' ' A' ' 580' ' ' VAL . 2.7 t-80 -46.24 -39.35 9.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 73.45 109.597 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 668' ' ' CYS . . . . . 0.498 ' CB ' ' O ' ' A' ' 664' ' ' PHE . 45.0 t -74.23 -39.92 62.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 74.32 108.293 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -69.32 -11.57 60.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 62.42 109.272 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 670' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -115.8 -2.59 12.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 71.24 110.291 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 671' ' ' ASN . . . . . 0.411 ' ND2' ' O ' ' A' ' 667' ' ' HIS . 1.1 m-80 -108.86 -15.49 14.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 62.04 109.311 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 14.8 mt -84.45 -174.96 5.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 74.11 109.298 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 1.3 p -98.31 6.78 47.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 74.42 110.008 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -60.5 -16.61 38.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.112 . . . . 74.42 109.277 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 675' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.61 -64.66 1.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.135 . . . . 74.12 109.301 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 676' ' ' SER . . . . . . . . . . . . . 5.2 t -163.08 157.46 20.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 71.52 110.025 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 677' ' ' LEU . . . . . 0.539 ' CD1' ' N ' ' A' ' 677' ' ' LEU . 2.0 mp -85.79 -41.91 14.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 65.24 109.248 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 68.4 t0 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 73.24 109.275 -179.954 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 679' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 110.979 -0.849 . . . . 71.44 110.979 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 123.51 7.96 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.486 1.782 . . . . 72.41 111.038 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 5.2 m80 -115.38 -53.03 2.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.117 . . . . 74.42 109.625 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 545' ' ' MET . . . . . . . . . . . . . 60.9 mtp 47.77 49.94 16.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.085 . . . . 73.41 111.002 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 546' ' ' GLN . . . . . 0.538 ' C ' ' CD1' ' A' ' 547' ' ' PHE . 15.9 mt-30 -132.96 134.77 44.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 73.34 110.342 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 547' ' ' PHE . . . . . 0.637 ' CD1' ' N ' ' A' ' 547' ' ' PHE . 0.1 OUTLIER -149.33 103.33 3.31 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 62.44 111.027 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 548' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 145.64 31.73 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.442 1.759 . . . . 71.03 110.984 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 549' ' ' VAL . . . . . 0.469 ' CG2' ' HB2' ' A' ' 567' ' ' SER . 30.2 m -52.34 -44.05 41.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 72.52 109.281 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 550' ' ' GLU . . . . . 0.423 ' N ' HG23 ' A' ' 549' ' ' VAL . 2.6 pt-20 -53.95 -27.2 29.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 64.21 110.34 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 9.8 m170 -92.0 -22.56 19.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 73.14 109.574 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 552' ' ' VAL . . . . . 0.549 HG11 ' CD1' ' A' ' 657' ' ' PHE . 33.4 t -93.83 124.27 46.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 65.4 109.333 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -111.08 145.67 38.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 75.41 110.322 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 1.3 mt -86.2 112.57 21.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 71.14 109.298 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 555' ' ' LEU . . . . . 0.473 HD22 ' CB ' ' A' ' 562' ' ' ALA . 0.2 OUTLIER -133.36 -179.85 5.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 72.41 109.295 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 556' ' ' CYS . . . . . 0.529 ' O ' ' N ' ' A' ' 560' ' ' MET . 5.9 t -107.8 104.11 13.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 114.989 -1.005 . . . . 72.24 110.9 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 557' ' ' ILE . . . . . 0.469 HG23 ' CG ' ' A' ' 648' ' ' GLN . 1.4 pt -35.67 -33.92 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.132 . . . . 72.44 109.31 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 558' ' ' ASN . . . . . 0.488 ' N ' ' O ' ' A' ' 556' ' ' CYS . 7.9 m-20 -78.73 -61.05 2.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 71.32 109.298 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 559' ' ' CYS . . . . . 0.467 ' O ' ' HB2' ' A' ' 560' ' ' MET . 1.8 m -74.03 -70.31 0.39 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 74.4 108.324 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 560' ' ' MET . . . . . 0.529 ' N ' ' O ' ' A' ' 556' ' ' CYS . 28.4 mtm 77.31 48.35 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 73.12 111.041 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 561' ' ' VAL . . . . . 0.473 ' O ' ' CB ' ' A' ' 562' ' ' ALA . 1.0 OUTLIER -115.01 -2.71 10.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 74.32 109.279 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 562' ' ' ALA . . . . . 0.473 ' CB ' HD22 ' A' ' 555' ' ' LEU . . . 82.46 102.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 72.11 109.245 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 563' ' ' VAL . . . . . 0.558 HG11 ' CD1' ' A' ' 587' ' ' TYR . 2.3 m -99.27 -4.15 9.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 74.22 109.327 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . 177.14 -160.12 26.9 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.445 1.091 . . . . 72.11 110.991 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 565' ' ' HIS . . . . . . . . . . . . . 51.4 m-70 -124.55 144.4 50.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 0.782 . . . . 75.11 109.581 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . -73.24 -2.25 58.62 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.549 1.156 . . . . 75.32 111.026 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 567' ' ' SER . . . . . 0.469 ' HB2' ' CG2' ' A' ' 549' ' ' VAL . 15.2 p -115.43 10.87 15.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 0.759 . . . . 65.12 110.033 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -113.85 -12.62 12.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 63.43 109.31 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 569' ' ' LEU . . . . . 0.513 ' C ' ' CD1' ' A' ' 569' ' ' LEU . 0.1 OUTLIER -90.8 168.07 12.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 71.41 109.319 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 570' ' ' ARG . . . . . 0.418 ' CG ' ' O ' ' A' ' 569' ' ' LEU . 66.0 mtt-85 -158.82 136.81 10.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 75.25 110.28 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 10.8 ptpt -73.31 157.66 36.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 75.31 109.299 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 572' ' ' VAL . . . . . 0.473 ' O ' ' CG ' ' A' ' 573' ' ' GLU . 2.7 t -110.72 98.84 7.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 71.13 109.295 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 573' ' ' GLU . . . . . 0.473 ' CG ' ' O ' ' A' ' 572' ' ' VAL . 9.0 pt-20 46.86 24.11 0.32 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 74.41 110.277 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 574' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' A' ' 575' ' ' THR . . . 87.82 -23.36 13.84 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.485 1.116 . . . . 74.32 111.007 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 575' ' ' THR . . . . . 0.468 ' N ' ' O ' ' A' ' 572' ' ' VAL . 52.7 m -36.23 -76.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 0.741 . . . . 73.02 110.426 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 50.2 m80 -147.99 150.56 34.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 74.2 109.58 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 577' ' ' HIS . . . . . 0.773 ' CD2' ' CE3' ' A' ' 652' ' ' TRP . 6.4 m80 -71.79 116.38 12.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 74.53 109.611 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 578' ' ' VAL . . . . . 0.498 ' CG1' ' O ' ' A' ' 631' ' ' PRO . 26.9 m -115.92 118.49 58.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 75.44 109.331 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 579' ' ' ASN . . . . . 0.473 ' HA ' ' CB ' ' A' ' 569' ' ' LEU . 2.4 t-20 -90.52 119.9 31.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.581 1.176 . . . . 73.04 109.279 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 580' ' ' VAL . . . . . 0.477 HG11 ' CD2' ' A' ' 630' ' ' LEU . 2.7 t -95.9 130.79 44.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 60.35 109.292 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 581' ' ' ASN . . . . . . . . . . . . . 5.2 t30 176.49 141.28 0.23 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 75.54 109.312 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 582' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -46.19 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.545 1.813 . . . . 64.33 110.991 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 583' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -54.78 -19.62 6.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 71.41 109.292 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 584' ' ' PHE . . . . . 0.494 ' O ' ' CD2' ' A' ' 588' ' ' TYR . 1.8 t80 -58.99 -44.25 91.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 75.24 111.0 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 585' ' ' SER . . . . . 0.566 ' HA ' ' CE2' ' A' ' 588' ' ' TYR . 10.9 p -53.24 -25.32 13.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.454 1.097 . . . . 72.12 109.996 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -88.26 -23.32 23.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 71.41 109.307 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 587' ' ' TYR . . . . . 0.558 ' CD1' HG11 ' A' ' 563' ' ' VAL . 13.8 m-85 -88.55 6.8 36.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 75.24 110.979 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 588' ' ' TYR . . . . . 0.595 ' CD1' ' C ' ' A' ' 588' ' ' TYR . 0.9 OUTLIER -165.45 158.72 16.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 73.25 110.982 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 589' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -133.11 121.01 22.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 72.2 109.276 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 7.4 t -72.45 149.3 8.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 73.44 109.311 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 591' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 592' ' ' ARG . 48.0 t -64.51 141.91 58.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 72.35 109.99 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 592' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 591' ' ' SER . 0.1 OUTLIER -35.62 -57.48 0.64 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.545 1.153 . . . . 75.11 110.326 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.07 148.13 62.29 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.152 . . . . 74.45 109.328 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 -89.71 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.459 1.768 . . . . 65.51 110.977 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 69.6 t -104.92 128.89 58.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 73.5 109.311 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 596' ' ' VAL . . . . . . . . . . . . . 2.1 t -136.18 79.55 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 73.31 109.318 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 597' ' ' ILE . . . . . 0.492 ' CG2' ' N ' ' A' ' 598' ' ' ASN . 2.3 mt -142.49 163.29 18.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 74.31 109.308 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 598' ' ' ASN . . . . . 0.492 ' N ' ' CG2' ' A' ' 597' ' ' ILE . 67.5 m-20 -91.29 -64.64 1.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 72.22 109.276 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 599' ' ' LYS . . . . . 0.625 ' NZ ' ' CE2' ' A' ' 601' ' ' PHE . 1.4 tmtt? -86.92 138.39 31.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 70.21 109.298 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 600' ' ' VAL . . . . . . . . . . . . . 56.8 t -102.85 154.05 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.151 . . . . 74.53 109.291 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 601' ' ' PHE . . . . . 0.625 ' CE2' ' NZ ' ' A' ' 599' ' ' LYS . 53.4 m-85 -105.03 167.41 9.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 75.21 110.962 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 602' ' ' LYS . . . . . 0.438 ' C ' ' N ' ' A' ' 604' ' ' TRP . 12.2 tptp -108.99 -62.0 1.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 73.22 109.252 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -42.0 -28.69 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 74.53 109.253 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 604' ' ' TRP . . . . . 0.597 ' CZ3' ' SD ' ' A' ' 623' ' ' MET . 0.3 OUTLIER -157.22 179.41 9.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 75.22 108.021 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 605' ' ' LYS . . . . . 0.451 ' CG ' ' HB ' ' A' ' 624' ' ' ILE . 5.0 ptmt -121.08 151.91 55.99 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 74.4 109.299 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 606' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 142.5 27.92 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.468 1.773 . . . . 73.32 110.994 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 607' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 622' ' ' GLN . . . -105.74 -120.92 4.76 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.555 1.159 . . . . 70.23 111.026 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 608' ' ' GLY . . . . . . . . . . . . . . . -139.61 151.91 22.24 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 110.972 -0.851 . . . . 72.25 110.972 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 50.2 t -56.33 129.72 18.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.442 0.731 . . . . 75.12 109.264 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 610' ' ' ILE . . . . . 0.578 ' CG2' ' CD1' ' A' ' 588' ' ' TYR . 0.8 OUTLIER -102.19 143.37 14.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 71.53 109.31 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -136.84 117.88 14.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 75.3 109.993 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 612' ' ' CYS . . . . . 0.455 ' O ' ' N ' ' A' ' 616' ' ' GLY . 39.7 t -49.21 118.17 2.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 61.54 108.274 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 9.2 ttt180 -67.88 -28.02 67.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 74.24 110.328 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 614' ' ' ASN . . . . . 0.404 ' ND2' ' CG1' ' A' ' 563' ' ' VAL . 66.7 m-20 -65.13 -39.12 92.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 74.52 109.292 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 615' ' ' CYS . . . . . 0.401 ' SG ' ' N ' ' A' ' 559' ' ' CYS . 0.2 OUTLIER -125.35 -75.02 0.59 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 73.2 108.234 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 616' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 148.53 -18.07 1.29 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.486 1.116 . . . . 63.42 111.01 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 617' ' ' GLU . . . . . 0.436 ' OE1' ' ND2' ' A' ' 558' ' ' ASN . 9.0 tp10 -42.78 102.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 0.74 . . . . 70.14 110.276 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 57.3 t -54.25 112.28 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.54 1.15 . . . . 73.24 109.316 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 619' ' ' TRP . . . . . 0.586 ' CE2' ' CE ' ' A' ' 638' ' ' MET . 42.2 m0 -71.0 -51.03 27.86 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.964 -1.124 . . . . 75.31 107.964 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 620' ' ' GLY . . . . . . . . . . . . . . . 176.8 -99.2 0.13 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 75.33 110.983 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 621' ' ' LEU . . . . . 0.495 ' C ' ' CD2' ' A' ' 621' ' ' LEU . 0.0 OUTLIER -162.07 170.33 19.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 0.775 . . . . 73.45 109.289 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 622' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 607' ' ' GLY . 0.2 OUTLIER -95.71 162.99 13.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 74.04 110.311 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 623' ' ' MET . . . . . 0.597 ' SD ' ' CZ3' ' A' ' 604' ' ' TRP . 6.9 mtp -146.95 151.49 37.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 75.51 111.007 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 624' ' ' ILE . . . . . 0.518 ' CD1' ' N ' ' A' ' 624' ' ' ILE . 2.7 mp -120.91 132.47 70.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 75.04 109.334 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 625' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -138.56 101.04 4.25 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.545 1.153 . . . . 75.41 111.003 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 626' ' ' LYS . . . . . 0.51 ' O ' ' CB ' ' A' ' 627' ' ' SER . 0.0 OUTLIER 68.32 22.17 8.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 74.23 109.284 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 627' ' ' SER . . . . . 0.51 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.1 p 86.02 39.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 72.54 109.998 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 628' ' ' VAL . . . . . 0.444 HG13 ' CG ' ' A' ' 630' ' ' LEU . 63.0 t -126.78 116.67 45.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 65.2 109.306 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 7.4 mmmm -71.72 99.68 2.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 64.41 109.329 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 630' ' ' LEU . . . . . 0.562 HD13 ' CD1' ' A' ' 662' ' ' PHE . 44.2 mt -120.93 111.24 34.3 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 74.24 109.308 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 631' ' ' PRO . . . . . 0.498 ' O ' ' CG1' ' A' ' 578' ' ' VAL . 18.2 Cg_endo -75.0 166.25 29.6 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.502 1.791 . . . . 75.44 111.008 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 632' ' ' VAL . . . . . 0.424 HG22 ' CG1' ' A' ' 578' ' ' VAL . 69.7 t -128.97 93.01 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 61.43 109.278 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 633' ' ' LEU . . . . . 0.56 ' CD1' ' N ' ' A' ' 633' ' ' LEU . 0.0 OUTLIER -99.75 171.64 7.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 74.12 109.331 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 634' ' ' LYS . . . . . 0.418 ' C ' ' CZ2' ' A' ' 652' ' ' TRP . 6.9 mtmm -105.82 -177.39 3.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 71.31 109.302 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 635' ' ' VAL . . . . . 0.494 ' CG1' ' C ' ' A' ' 650' ' ' LYS . 7.9 p -103.08 -14.83 8.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 65.55 109.294 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 636' ' ' ARG . . . . . . . . . . . . . 13.5 ptt180 -90.21 -5.57 56.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 75.13 110.291 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 1.4 t -112.49 -13.99 13.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 75.43 110.001 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 638' ' ' MET . . . . . 0.586 ' CE ' ' CE2' ' A' ' 619' ' ' TRP . 33.1 mmt -108.61 131.73 54.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 73.42 110.989 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 639' ' ' LEU . . . . . 0.456 ' CD2' ' HD2' ' A' ' 646' ' ' ARG . 13.3 tp -96.74 142.65 28.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 74.22 109.312 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 640' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -110.27 93.44 4.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 74.52 109.325 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . 0.444 ' HB2' ' CD1' ' A' ' 555' ' ' LEU . 5.6 mt-10 -74.58 119.16 18.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 74.41 110.313 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 642' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -129.36 159.66 68.08 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 71.25 110.416 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 2.35 6.74 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.479 1.778 . . . . 70.34 111.008 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -110.96 -6.77 14.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 74.4 110.311 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 126.26 139.38 5.06 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.523 1.139 . . . . 72.31 110.974 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 646' ' ' ARG . . . . . 0.456 ' HD2' ' CD2' ' A' ' 639' ' ' LEU . 15.4 mtm105 -56.3 151.65 12.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 0.739 . . . . 74.24 110.288 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 647' ' ' ILE . . . . . . . . . . . . . 18.7 mt -138.11 128.14 35.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 73.23 109.324 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 648' ' ' GLN . . . . . 0.469 ' CG ' HG23 ' A' ' 557' ' ' ILE . 0.1 OUTLIER -121.13 95.44 4.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 74.25 110.271 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 649' ' ' ALA . . . . . . . . . . . . . . . -92.95 160.73 14.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 74.13 109.321 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 650' ' ' LYS . . . . . 0.494 ' C ' ' CG1' ' A' ' 635' ' ' VAL . 10.1 mmtp -99.67 -28.55 13.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 74.05 109.264 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 651' ' ' LYS . . . . . 0.423 ' N ' HG12 ' A' ' 635' ' ' VAL . 19.5 mmmt -125.55 144.98 50.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 74.34 109.312 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 652' ' ' TRP . . . . . 0.773 ' CE3' ' CD2' ' A' ' 577' ' ' HIS . 35.7 m95 -67.32 -11.89 58.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 73.05 108.0 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 3.0 m -66.42 -10.07 40.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 75.14 110.014 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 654' ' ' ARG . . . . . 0.403 ' NH1' ' HB2' ' A' ' 651' ' ' LYS . 7.8 mmt-85 -114.27 -14.38 12.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.121 . . . . 71.25 110.292 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 655' ' ' VAL . . . . . 0.577 HG11 ' CZ ' ' A' ' 657' ' ' PHE . 2.4 t -40.26 125.66 1.73 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.442 1.089 . . . . 73.34 109.289 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 656' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 -49.71 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.466 1.771 . . . . 74.5 111.0 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 657' ' ' PHE . . . . . 0.577 ' CZ ' HG11 ' A' ' 655' ' ' VAL . 50.8 p90 -68.06 160.78 28.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 73.42 110.992 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 658' ' ' SER . . . . . 0.419 ' O ' ' CG1' ' A' ' 549' ' ' VAL . 9.8 m -88.44 149.54 23.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 40.45 110.04 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 659' ' ' VAL . . . . . 0.563 ' CG1' ' CD2' ' A' ' 577' ' ' HIS . 2.1 t -135.98 96.85 12.71 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 65.44 109.274 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 660' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 147.48 34.11 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.45 1.763 . . . . 72.12 111.013 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 19.6 p-10 -56.95 151.29 15.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 75.11 109.249 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 662' ' ' PHE . . . . . 0.718 ' CE1' ' CD2' ' A' ' 667' ' ' HIS . 51.4 t80 -52.22 118.35 3.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 75.51 111.006 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 663' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -74.07 80.85 1.73 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 73.41 109.321 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 664' ' ' PHE . . . . . 0.432 ' O ' ' CB ' ' A' ' 668' ' ' CYS . 5.3 t80 -63.19 -31.5 72.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.443 1.09 . . . . 74.34 110.996 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 10.1 mt -64.74 -37.26 86.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 73.55 109.285 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 666' ' ' GLN . . . . . 0.405 ' O ' ' N ' ' A' ' 669' ' ' ALA . 14.9 tt0 -79.75 -61.07 2.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 73.5 110.321 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 667' ' ' HIS . . . . . 0.718 ' CD2' ' CE1' ' A' ' 662' ' ' PHE . 84.2 m-70 -47.5 -45.53 26.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 75.25 109.588 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 668' ' ' CYS . . . . . 0.432 ' CB ' ' O ' ' A' ' 664' ' ' PHE . 34.8 t -66.91 -35.05 79.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 71.12 108.3 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 669' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 666' ' ' GLN . . . -73.61 -11.62 60.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 73.42 109.3 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 670' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -115.78 -2.25 12.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 74.41 110.261 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 671' ' ' ASN . . . . . 0.434 ' ND2' ' O ' ' A' ' 667' ' ' HIS . 1.5 m-80 -106.98 -18.99 13.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 72.33 109.279 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 11.7 mt -95.53 -175.17 3.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 72.05 109.284 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 673' ' ' SER . . . . . 0.46 ' HB3' ' CD1' ' A' ' 677' ' ' LEU . 4.3 m -122.89 8.83 9.36 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 74.04 109.989 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -62.7 -15.64 53.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 51.24 109.316 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 675' ' ' LEU . . . . . 0.433 ' N ' ' CD2' ' A' ' 675' ' ' LEU . 1.6 mm? -87.03 -62.02 1.6 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 75.1 109.268 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 676' ' ' SER . . . . . . . . . . . . . 4.9 p -169.94 175.77 5.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 75.14 110.005 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 677' ' ' LEU . . . . . 0.46 ' CD1' ' HB3' ' A' ' 673' ' ' SER . 0.1 OUTLIER -114.82 -39.29 3.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 74.21 109.291 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 41.8 t0 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 61.14 109.343 -179.995 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 679' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 N-CA-C 111.034 -0.826 . . . . 61.32 111.034 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 123.38 7.86 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.477 1.777 . . . . 73.5 111.034 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -91.78 164.66 13.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 71.24 109.594 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 545' ' ' MET . . . . . . . . . . . . . 8.6 mtp -101.49 68.06 1.17 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 74.43 110.992 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 546' ' ' GLN . . . . . 0.522 ' C ' ' CD1' ' A' ' 547' ' ' PHE . 19.4 mt-30 -125.06 140.95 52.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 62.24 110.349 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 547' ' ' PHE . . . . . 0.624 ' CD1' ' N ' ' A' ' 547' ' ' PHE . 0.1 OUTLIER -149.32 102.47 3.31 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 74.43 111.007 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 548' ' ' PRO . . . . . 0.439 ' HB2' ' CG ' ' A' ' 550' ' ' GLU . 18.3 Cg_endo -74.98 137.63 22.0 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.505 1.792 . . . . 53.0 110.996 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 549' ' ' VAL . . . . . 0.413 HG22 ' N ' ' A' ' 550' ' ' GLU . 35.6 m -48.46 -40.31 10.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 73.21 109.267 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 550' ' ' GLU . . . . . 0.439 ' CG ' ' HB2' ' A' ' 548' ' ' PRO . 2.1 pt-20 -57.53 -35.04 69.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 73.54 110.304 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 10.4 m170 -82.69 -16.71 47.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 74.43 109.609 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 552' ' ' VAL . . . . . 0.455 ' CG2' ' HB3' ' A' ' 657' ' ' PHE . 77.5 t -94.49 128.11 45.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 73.1 109.321 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 553' ' ' GLN . . . . . 0.43 ' OE1' ' NE2' ' A' ' 565' ' ' HIS . 10.3 tt0 -117.65 142.43 47.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 73.4 110.315 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 1.2 mt -83.89 114.05 21.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 64.34 109.288 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 555' ' ' LEU . . . . . 0.493 HD21 ' CA ' ' A' ' 562' ' ' ALA . 0.2 OUTLIER -135.89 177.06 8.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 74.42 109.286 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 556' ' ' CYS . . . . . 0.52 ' O ' ' N ' ' A' ' 560' ' ' MET . 5.8 t -101.88 105.1 15.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.002 -0.999 . . . . 62.44 110.912 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 557' ' ' ILE . . . . . 0.483 HG22 ' CG ' ' A' ' 648' ' ' GLN . 0.8 OUTLIER -34.4 -35.62 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 75.4 109.296 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 558' ' ' ASN . . . . . 0.488 ' N ' ' O ' ' A' ' 556' ' ' CYS . 8.0 m-20 -79.45 -61.67 1.93 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 74.42 109.321 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 559' ' ' CYS . . . . . 0.472 ' O ' ' HB2' ' A' ' 560' ' ' MET . 1.9 m -71.01 -71.61 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.093 . . . . 64.3 108.323 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 560' ' ' MET . . . . . 0.52 ' N ' ' O ' ' A' ' 556' ' ' CYS . 30.8 mtm 77.36 42.15 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 74.43 110.997 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 561' ' ' VAL . . . . . 0.503 ' O ' ' CB ' ' A' ' 562' ' ' ALA . 1.0 OUTLIER -107.14 -3.68 10.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.559 1.162 . . . . 73.31 109.329 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 562' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 561' ' ' VAL . . . 84.09 100.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 74.4 109.255 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 563' ' ' VAL . . . . . 0.486 HG12 ' CD1' ' A' ' 587' ' ' TYR . 2.0 m -99.02 -4.86 9.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 74.45 109.305 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . 179.91 -161.0 26.45 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.467 1.104 . . . . 61.33 111.012 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 565' ' ' HIS . . . . . 0.43 ' NE2' ' OE1' ' A' ' 553' ' ' GLN . 49.9 m80 -125.76 145.43 50.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 0.77 . . . . 74.31 109.636 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 566' ' ' GLY . . . . . 0.411 ' O ' ' CD1' ' A' ' 569' ' ' LEU . . . -73.62 -14.95 79.41 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.484 1.115 . . . . 74.11 111.002 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 18.5 p -105.01 8.39 34.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 0.74 . . . . 60.22 110.017 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -109.05 -21.01 12.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 75.24 109.316 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 569' ' ' LEU . . . . . 0.462 ' CB ' ' HA ' ' A' ' 579' ' ' ASN . 0.2 OUTLIER -81.88 155.45 25.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 72.02 109.278 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 570' ' ' ARG . . . . . 0.487 ' CZ ' ' NE2' ' A' ' 667' ' ' HIS . 30.2 mtm180 -147.73 144.64 28.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 75.01 110.307 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 571' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 662' ' ' PHE . 19.2 ttmt -73.36 158.25 35.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 75.44 109.295 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 572' ' ' VAL . . . . . 0.433 HG23 ' CG2' ' A' ' 578' ' ' VAL . 2.8 t -122.0 112.74 36.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 74.23 109.294 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 573' ' ' GLU . . . . . 0.431 ' OE1' ' CB ' ' A' ' 603' ' ' ASP . 7.0 pt-20 43.74 35.0 0.94 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 71.53 110.284 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 45.38 43.97 10.5 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.522 1.139 . . . . 73.02 111.009 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 1.5 m -109.24 -48.98 3.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 0.773 . . . . 61.14 110.387 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -159.2 135.13 8.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 64.44 109.606 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 577' ' ' HIS . . . . . 0.689 ' CD2' ' CG ' ' A' ' 652' ' ' TRP . 7.8 m-70 -64.32 126.0 26.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 73.44 109.611 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 578' ' ' VAL . . . . . 0.433 ' CG2' HG23 ' A' ' 572' ' ' VAL . 30.9 m -130.0 126.61 62.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 71.24 109.352 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 579' ' ' ASN . . . . . 0.462 ' HA ' ' CB ' ' A' ' 569' ' ' LEU . 1.9 t-20 -92.53 121.24 33.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 74.42 109.306 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 580' ' ' VAL . . . . . 0.467 HG12 ' CD2' ' A' ' 630' ' ' LEU . 3.8 t -95.11 138.37 21.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 74.51 109.255 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 581' ' ' ASN . . . . . 0.74 HD22 ' ND2' ' A' ' 583' ' ' ASN . 23.6 t-20 173.35 130.74 0.1 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 74.43 109.307 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 582' ' ' PRO . . . . . 0.418 ' HD2' ' ND2' ' A' ' 581' ' ' ASN . 18.4 Cg_endo -74.96 -24.95 12.41 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.494 1.786 . . . . 72.15 111.066 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 583' ' ' ASN . . . . . 0.74 ' ND2' HD22 ' A' ' 581' ' ' ASN . 0.2 OUTLIER -80.9 -1.51 43.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 75.23 109.275 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 584' ' ' PHE . . . . . 0.482 ' O ' ' CD2' ' A' ' 588' ' ' TYR . 2.7 t80 -75.99 -31.16 58.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 74.34 110.991 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 585' ' ' SER . . . . . 0.431 ' HA ' ' CE2' ' A' ' 588' ' ' TYR . 6.3 m -58.59 -27.02 64.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 52.14 109.981 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -87.16 -14.07 42.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 74.42 109.295 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 587' ' ' TYR . . . . . 0.486 ' CD1' HG12 ' A' ' 563' ' ' VAL . 3.0 m-85 -95.46 6.87 47.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 72.11 111.017 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 588' ' ' TYR . . . . . 0.635 ' CD1' ' CG2' ' A' ' 610' ' ' ILE . 0.9 OUTLIER -167.98 158.48 10.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 74.23 110.99 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 589' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -132.95 124.53 27.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 75.53 109.325 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 39.9 t -72.87 149.86 8.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.153 . . . . 74.23 109.246 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 4.0 t -60.42 174.63 0.53 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 65.33 110.023 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 26.3 ttp180 -57.01 -64.86 0.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 75.21 110.309 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -54.59 151.28 14.99 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 71.4 109.262 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -76.71 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.446 1.761 . . . . 72.31 110.984 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 77.8 t -122.97 123.82 68.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 71.31 109.281 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 596' ' ' VAL . . . . . . . . . . . . . 2.2 t -134.26 91.75 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.543 1.152 . . . . 72.53 109.281 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 597' ' ' ILE . . . . . 0.451 ' CG2' ' N ' ' A' ' 598' ' ' ASN . 3.5 mm -137.15 164.69 29.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.422 1.076 . . . . 75.52 109.306 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 598' ' ' ASN . . . . . 0.451 ' N ' ' CG2' ' A' ' 597' ' ' ILE . 16.0 t30 -87.91 -51.04 6.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 73.34 109.27 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.79 138.57 50.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 74.35 109.283 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 600' ' ' VAL . . . . . . . . . . . . . 16.7 t -98.74 151.23 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 72.52 109.32 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 601' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -99.98 168.13 10.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 75.34 110.988 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 602' ' ' LYS . . . . . 0.429 ' C ' ' N ' ' A' ' 604' ' ' TRP . 17.3 mmtp -105.94 -62.84 1.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 74.21 109.312 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 603' ' ' ASP . . . . . 0.431 ' CB ' ' OE1' ' A' ' 573' ' ' GLU . 47.2 m-20 -40.75 -29.85 0.11 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.125 . . . . 64.32 109.317 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 604' ' ' TRP . . . . . 0.53 ' CE2' ' SD ' ' A' ' 623' ' ' MET . 0.5 OUTLIER -157.16 174.8 14.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 74.41 108.032 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 605' ' ' LYS . . . . . 0.416 ' NZ ' ' HB ' ' A' ' 624' ' ' ILE . 6.0 ptmm? -112.04 154.0 44.39 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 73.04 109.284 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 606' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 140.93 26.08 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.509 1.794 . . . . 73.4 111.051 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 607' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 622' ' ' GLN . . . -99.9 -127.11 5.9 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.494 1.121 . . . . 61.24 110.996 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 608' ' ' GLY . . . . . 0.409 ' O ' ' N ' ' A' ' 622' ' ' GLN . . . -141.13 156.46 25.6 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.989 -0.844 . . . . 70.11 110.989 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 12.1 t -53.97 134.34 16.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.508 0.77 . . . . 74.24 109.265 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 610' ' ' ILE . . . . . 0.635 ' CG2' ' CD1' ' A' ' 588' ' ' TYR . 0.8 OUTLIER -110.26 143.93 19.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 75.2 109.305 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -137.85 119.1 14.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 62.02 110.028 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 612' ' ' CYS . . . . . 0.451 ' O ' ' N ' ' A' ' 616' ' ' GLY . 47.6 t -47.82 119.28 2.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 74.12 108.312 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 6.9 ttt-85 -67.51 -28.15 67.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 72.14 110.295 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 614' ' ' ASN . . . . . . . . . . . . . 60.5 m-20 -66.08 -40.05 90.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 74.43 109.294 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 615' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -123.22 -75.54 0.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 71.31 108.302 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 616' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 147.86 -17.21 1.4 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.516 1.135 . . . . 73.11 111.001 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 617' ' ' GLU . . . . . 0.428 ' OE2' ' ND2' ' A' ' 558' ' ' ASN . 2.9 tp10 -42.61 102.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 0.783 . . . . 73.41 110.325 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 91.1 t -53.58 112.32 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 74.03 109.301 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 619' ' ' TRP . . . . . 0.505 ' CE2' ' CE ' ' A' ' 638' ' ' MET . 34.4 m0 -71.31 -52.62 17.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 72.04 107.969 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 620' ' ' GLY . . . . . . . . . . . . . . . 177.93 -97.73 0.11 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.504 1.128 . . . . 72.23 111.033 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 621' ' ' LEU . . . . . 0.449 ' C ' ' CD2' ' A' ' 621' ' ' LEU . 0.0 OUTLIER -161.21 170.63 19.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 0.775 . . . . 73.12 109.294 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 622' ' ' GLN . . . . . 0.434 ' O ' ' N ' ' A' ' 607' ' ' GLY . 0.6 OUTLIER -93.79 161.68 14.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 73.45 110.3 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 623' ' ' MET . . . . . 0.53 ' SD ' ' CE2' ' A' ' 604' ' ' TRP . 5.7 mmt -145.71 118.96 8.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 73.14 111.008 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 624' ' ' ILE . . . . . 0.523 ' CD1' ' N ' ' A' ' 624' ' ' ILE . 1.8 mp -95.36 134.1 33.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 71.5 109.304 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 625' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -140.02 105.64 5.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 74.02 111.021 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 626' ' ' LYS . . . . . 0.493 ' O ' ' CB ' ' A' ' 627' ' ' SER . 6.0 mmpt? 71.5 20.69 4.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 74.55 109.297 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 627' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.2 p 85.49 38.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 73.14 109.999 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 628' ' ' VAL . . . . . 0.465 HG13 ' CD2' ' A' ' 630' ' ' LEU . 38.8 t -128.18 113.36 30.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 71.11 109.265 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 3.0 mmmm -67.81 99.35 0.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 75.31 109.347 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 630' ' ' LEU . . . . . 0.467 ' CD2' HG12 ' A' ' 580' ' ' VAL . 66.2 mt -112.83 111.54 51.16 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 72.34 109.297 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 631' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 131.66 14.52 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.505 1.792 . . . . 72.43 111.018 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 632' ' ' VAL . . . . . 0.465 HG22 ' CG ' ' A' ' 623' ' ' MET . 91.7 t -99.35 93.4 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 65.43 109.299 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 633' ' ' LEU . . . . . 0.484 ' CD1' ' N ' ' A' ' 633' ' ' LEU . 0.0 OUTLIER -99.34 170.2 8.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 74.41 109.289 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 634' ' ' LYS . . . . . 0.474 ' HE3' ' CG ' ' A' ' 636' ' ' ARG . 0.6 OUTLIER -109.42 -169.56 1.5 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 74.54 109.238 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 635' ' ' VAL . . . . . 0.568 HG12 ' CD1' ' A' ' 652' ' ' TRP . 12.0 p -112.0 -17.93 8.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 71.22 109.307 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 636' ' ' ARG . . . . . 0.474 ' CG ' ' HE3' ' A' ' 634' ' ' LYS . 2.6 ptt85 -77.95 -9.6 59.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 73.11 110.291 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 637' ' ' SER . . . . . 0.432 ' C ' HG21 ' A' ' 557' ' ' ILE . 89.8 p -121.52 -3.33 9.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 71.34 109.996 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 638' ' ' MET . . . . . 0.505 ' CE ' ' CE2' ' A' ' 619' ' ' TRP . 31.0 mmt -112.86 121.41 44.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 74.32 111.055 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 639' ' ' LEU . . . . . . . . . . . . . 26.3 tp -89.82 152.24 21.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 74.54 109.333 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 640' ' ' LEU . . . . . 0.557 HD23 ' CE2' ' A' ' 657' ' ' PHE . 6.9 mt -120.97 103.37 9.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 72.11 109.301 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -73.92 126.59 30.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 71.05 110.306 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 642' ' ' THR . . . . . . . . . . . . . 1.9 p -135.52 159.03 73.08 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 74.04 110.387 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -20.07 17.11 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.473 1.775 . . . . 71.24 110.957 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -87.54 -16.0 35.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 75.01 110.299 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 135.45 133.88 3.3 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.493 1.121 . . . . 72.31 111.012 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 24.6 mtm-85 -46.77 152.15 0.52 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 0.763 . . . . 70.31 110.307 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 647' ' ' ILE . . . . . . . . . . . . . 11.2 mt -137.28 135.21 47.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 74.44 109.347 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 648' ' ' GLN . . . . . 0.483 ' CG ' HG22 ' A' ' 557' ' ' ILE . 0.1 OUTLIER -133.86 117.01 16.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.103 . . . . 74.5 110.329 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 649' ' ' ALA . . . . . 0.417 ' N ' ' OE1' ' A' ' 648' ' ' GLN . . . -126.03 151.34 47.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 64.23 109.362 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 650' ' ' LYS . . . . . 0.41 ' HA ' ' CB ' ' A' ' 636' ' ' ARG . 7.2 mttm -94.56 4.73 53.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 74.21 109.32 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 651' ' ' LYS . . . . . 0.422 ' N ' HG11 ' A' ' 635' ' ' VAL . 2.0 mmmp? -142.66 142.54 32.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 74.54 109.294 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 652' ' ' TRP . . . . . 0.689 ' CG ' ' CD2' ' A' ' 577' ' ' HIS . 46.1 m95 -73.34 -17.1 61.33 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.994 -1.113 . . . . 64.1 107.994 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 2.2 m -63.65 -12.33 32.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 65.03 109.952 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 654' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 655' ' ' VAL . 9.2 mmt85 -107.23 -24.84 11.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 62.21 110.272 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 655' ' ' VAL . . . . . 0.575 HG11 ' CE2' ' A' ' 657' ' ' PHE . 2.4 t -40.41 125.23 1.79 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 63.14 109.277 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 656' ' ' PRO . . . . . 0.466 ' HD2' ' CD1' ' A' ' 640' ' ' LEU . 18.2 Cg_endo -75.01 -50.09 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.505 1.792 . . . . 73.24 110.97 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 657' ' ' PHE . . . . . 0.575 ' CE2' HG11 ' A' ' 655' ' ' VAL . 19.7 p90 -63.44 150.15 44.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.167 . . . . 62.41 110.971 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.25 143.21 30.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 75.03 110.002 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 659' ' ' VAL . . . . . 0.568 ' CG2' ' CE1' ' A' ' 657' ' ' PHE . 1.9 t -121.26 95.44 48.54 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 71.35 109.348 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 660' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 147.88 34.48 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.561 1.821 . . . . 74.31 111.013 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 9.4 p30 -59.9 163.8 4.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 72.12 109.272 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 662' ' ' PHE . . . . . 0.587 ' CZ ' ' CG ' ' A' ' 667' ' ' HIS . 62.4 t80 -78.31 121.29 24.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 73.35 111.012 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 663' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -86.06 102.02 13.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 72.33 109.317 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 664' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -68.41 -18.21 64.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 64.52 111.034 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 16.6 mt -75.43 -55.53 5.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 75.32 109.323 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.32 -43.64 97.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 73.35 110.262 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 667' ' ' HIS . . . . . 0.587 ' CG ' ' CZ ' ' A' ' 662' ' ' PHE . 23.9 m-70 -62.51 -53.48 54.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 71.43 109.594 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 668' ' ' CYS . . . . . . . . . . . . . 24.7 t -63.35 -23.17 67.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 74.35 108.281 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -85.4 -11.67 53.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 75.34 109.322 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 670' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -115.84 -2.53 12.34 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.115 . . . . 74.44 110.264 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -101.85 -19.03 15.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 70.3 109.293 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 12.0 mt -98.95 -175.28 2.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 73.11 109.314 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 673' ' ' SER . . . . . 0.458 ' HB3' ' CD1' ' A' ' 677' ' ' LEU . 69.8 m -121.79 5.03 9.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 53.44 110.04 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -65.78 -15.55 62.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 72.52 109.254 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 675' ' ' LEU . . . . . 0.41 HD22 ' N ' ' A' ' 675' ' ' LEU . 2.1 mm? -96.67 -66.87 0.88 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.095 . . . . 72.52 109.313 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 676' ' ' SER . . . . . . . . . . . . . 5.1 p -151.22 175.07 12.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 71.4 109.998 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 677' ' ' LEU . . . . . 0.458 ' CD1' ' HB3' ' A' ' 673' ' ' SER . 0.1 OUTLIER -114.64 -39.8 3.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 74.45 109.298 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 31.0 t0 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 70.4 109.268 179.995 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 679' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.999 -0.841 . . . . 65.22 110.999 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -169.75 0.68 Allowed 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.495 1.787 . . . . 75.41 110.988 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 17.2 m-70 -112.74 158.44 20.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 64.13 109.557 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 545' ' ' MET . . . . . 0.49 ' C ' ' CE1' ' A' ' 547' ' ' PHE . 43.4 mtp -88.51 53.19 2.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 72.34 111.056 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 546' ' ' GLN . . . . . 0.584 ' C ' ' CD1' ' A' ' 547' ' ' PHE . 1.8 pt20 -113.55 145.15 41.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 73.02 110.28 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 547' ' ' PHE . . . . . 0.584 ' CD1' ' C ' ' A' ' 546' ' ' GLN . 0.7 OUTLIER -159.67 99.81 1.51 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 73.53 111.001 179.93 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 548' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 144.24 29.78 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.512 1.796 . . . . 74.03 110.963 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 549' ' ' VAL . . . . . 0.443 ' CG1' ' O ' ' A' ' 658' ' ' SER . 29.1 m -51.35 -44.62 31.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.12 . . . . 62.42 109.275 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 550' ' ' GLU . . . . . 0.408 ' N ' HG21 ' A' ' 549' ' ' VAL . 2.4 pt-20 -53.91 -28.8 39.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 72.42 110.319 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 8.7 m170 -90.79 -21.83 21.32 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.424 1.078 . . . . 51.53 109.61 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 552' ' ' VAL . . . . . 0.549 HG11 ' CD1' ' A' ' 657' ' ' PHE . 41.8 t -93.07 124.84 45.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 73.34 109.304 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -111.03 148.16 33.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 73.44 110.327 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -89.04 112.33 23.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 75.11 109.28 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 555' ' ' LEU . . . . . 0.52 HD22 ' CA ' ' A' ' 562' ' ' ALA . 0.2 OUTLIER -131.96 178.72 6.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 71.03 109.26 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 556' ' ' CYS . . . . . 0.519 ' O ' ' N ' ' A' ' 560' ' ' MET . 2.4 t -107.47 99.12 8.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 114.956 -1.02 . . . . 73.15 110.89 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 557' ' ' ILE . . . . . 0.513 ' C ' ' O ' ' A' ' 556' ' ' CYS . 1.2 pt -31.49 -38.83 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 71.13 109.313 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 558' ' ' ASN . . . . . 0.516 ' N ' ' O ' ' A' ' 556' ' ' CYS . 13.7 m-20 -71.99 -64.21 0.98 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 61.14 109.277 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 559' ' ' CYS . . . . . 0.501 ' O ' ' HB2' ' A' ' 560' ' ' MET . 6.9 m -74.96 -70.48 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 71.35 108.314 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 560' ' ' MET . . . . . 0.519 ' N ' ' O ' ' A' ' 556' ' ' CYS . 28.1 mtm 79.14 46.37 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 62.34 110.988 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 561' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -114.67 15.65 8.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 74.55 109.281 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 562' ' ' ALA . . . . . 0.52 ' CA ' HD22 ' A' ' 555' ' ' LEU . . . 66.07 108.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 52.13 109.296 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 563' ' ' VAL . . . . . 0.554 HG11 ' CD1' ' A' ' 587' ' ' TYR . 1.1 m -107.4 -6.67 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 71.01 109.306 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -178.25 -158.08 20.26 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.465 1.103 . . . . 72.5 111.064 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 565' ' ' HIS . . . . . . . . . . . . . 39.2 m80 -128.83 146.13 51.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 0.746 . . . . 71.11 109.605 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . -75.36 -4.94 75.81 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.526 1.141 . . . . 70.4 111.022 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 20.2 p -112.18 9.12 20.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 0.793 . . . . 62.52 110.049 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 568' ' ' ASP . . . . . 0.482 ' O ' ' CZ ' ' A' ' 570' ' ' ARG . 4.2 t0 -110.36 -19.46 12.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 52.42 109.321 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 569' ' ' LEU . . . . . 0.483 ' C ' ' CD1' ' A' ' 569' ' ' LEU . 0.1 OUTLIER -83.15 164.47 20.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 71.12 109.31 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 570' ' ' ARG . . . . . 0.482 ' CZ ' ' O ' ' A' ' 568' ' ' ASP . 0.6 OUTLIER -143.83 -177.64 5.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 74.21 110.293 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 571' ' ' LYS . . . . . 0.515 ' HD3' ' CE1' ' A' ' 577' ' ' HIS . 13.3 ttpt -117.81 158.57 24.55 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 72.1 109.31 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 2.4 t -125.7 114.03 37.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 71.35 109.32 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 573' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 41.2 36.94 0.53 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 74.31 110.31 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 39.5 55.15 2.64 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.462 1.101 . . . . 75.43 110.987 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 2.2 m -131.27 -60.66 0.94 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.445 0.732 . . . . 72.13 110.383 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 576' ' ' HIS . . . . . 0.694 ' CE1' ' CZ2' ' A' ' 604' ' ' TRP . 0.0 OUTLIER -133.0 124.62 28.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 72.52 109.635 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 577' ' ' HIS . . . . . 0.537 ' CD2' ' CG ' ' A' ' 652' ' ' TRP . 30.7 m-70 -69.17 156.46 38.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 74.14 109.564 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 578' ' ' VAL . . . . . 0.422 ' CG1' ' O ' ' A' ' 577' ' ' HIS . 18.1 m -155.93 115.19 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 74.3 109.268 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 579' ' ' ASN . . . . . 0.475 ' HB3' ' CD2' ' A' ' 633' ' ' LEU . 2.0 t-20 -86.88 111.6 20.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 70.2 109.323 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 580' ' ' VAL . . . . . 0.46 ' CG2' HD21 ' A' ' 630' ' ' LEU . 3.0 t -81.88 139.24 18.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 73.21 109.273 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 581' ' ' ASN . . . . . 0.476 ' CB ' ' HB2' ' A' ' 584' ' ' PHE . 20.3 m-20 178.86 128.44 0.22 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 74.14 109.279 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 582' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -34.08 4.06 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.48 1.779 . . . . 71.2 110.992 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 583' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -79.29 -2.37 41.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 75.31 109.317 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 584' ' ' PHE . . . . . 0.512 ' O ' ' CD2' ' A' ' 588' ' ' TYR . 3.6 t80 -69.2 -32.87 72.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 74.3 110.995 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 585' ' ' SER . . . . . 0.564 ' HA ' ' CE2' ' A' ' 588' ' ' TYR . 84.0 p -56.95 -24.8 55.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 70.23 109.995 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 23.8 m-80 -87.78 -18.5 29.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 75.42 109.264 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 587' ' ' TYR . . . . . 0.554 ' CD1' HG11 ' A' ' 563' ' ' VAL . 4.9 m-85 -91.92 2.23 56.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 71.41 110.964 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 588' ' ' TYR . . . . . 0.579 ' CD1' ' C ' ' A' ' 588' ' ' TYR . 1.2 p90 -160.77 159.0 29.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 71.04 111.009 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 589' ' ' ASN . . . . . 0.466 ' N ' ' ND2' ' A' ' 589' ' ' ASN . 0.1 OUTLIER -128.41 128.95 45.43 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.472 1.108 . . . . 75.42 109.263 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 590' ' ' VAL . . . . . 0.432 ' CG1' ' HA3' ' A' ' 608' ' ' GLY . 13.0 t -76.05 133.99 29.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 73.52 109.336 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 591' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 592' ' ' ARG . 11.8 m -56.59 138.35 52.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 74.45 109.992 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 592' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 591' ' ' SER . 0.2 OUTLIER -36.72 -60.96 0.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 75.33 110.293 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 593' ' ' ASP . . . . . 0.406 ' O ' ' O ' ' A' ' 591' ' ' SER . 1.5 m-20 -47.42 158.41 0.48 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 71.54 109.267 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 594' ' ' PRO . . . . . 0.401 ' O ' ' O ' ' A' ' 607' ' ' GLY . 18.3 Cg_endo -75.01 -89.76 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.536 1.808 . . . . 71.54 110.99 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 11.5 t -109.1 131.67 59.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 73.44 109.315 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 596' ' ' VAL . . . . . . . . . . . . . 2.1 t -135.57 83.3 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 73.43 109.274 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 597' ' ' ILE . . . . . 0.452 ' CD1' ' HG ' ' A' ' 621' ' ' LEU . 3.1 mm -134.26 159.95 41.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 73.45 109.262 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 598' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -82.08 -47.16 12.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 62.11 109.32 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 599' ' ' LYS . . . . . 0.53 ' NZ ' ' CE2' ' A' ' 601' ' ' PHE . 0.0 OUTLIER -125.01 135.25 52.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 74.24 109.286 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 600' ' ' VAL . . . . . . . . . . . . . 21.5 t -86.53 166.55 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 74.14 109.295 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 601' ' ' PHE . . . . . 0.53 ' CE2' ' NZ ' ' A' ' 599' ' ' LYS . 24.7 m-85 -125.98 168.06 14.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 72.23 111.035 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 602' ' ' LYS . . . . . 0.421 ' C ' ' N ' ' A' ' 604' ' ' TRP . 51.0 mmtt -110.65 -53.5 2.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 73.02 109.3 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 603' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 602' ' ' LYS . 53.6 m-20 -40.67 -30.65 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 64.22 109.318 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 604' ' ' TRP . . . . . 0.694 ' CZ2' ' CE1' ' A' ' 576' ' ' HIS . 0.5 OUTLIER -156.33 167.09 31.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 74.23 108.001 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 605' ' ' LYS . . . . . . . . . . . . . 9.8 ptmt -108.92 154.29 41.96 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 73.32 109.284 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 606' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 171.51 18.17 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.434 1.755 . . . . 73.22 111.022 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 607' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 622' ' ' GLN . . . -133.02 -106.2 0.97 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.492 1.12 . . . . 74.4 110.98 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 608' ' ' GLY . . . . . 0.432 ' HA3' ' CG1' ' A' ' 590' ' ' VAL . . . -141.97 145.88 16.52 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.006 -0.838 . . . . 75.43 111.006 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 26.3 t -53.85 123.77 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.52 0.776 . . . . 74.23 109.3 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 610' ' ' ILE . . . . . 0.471 HG13 ' CA ' ' A' ' 621' ' ' LEU . 0.6 OUTLIER -92.22 153.23 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 75.21 109.305 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.12 122.81 4.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 75.24 109.957 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 612' ' ' CYS . . . . . 0.45 ' O ' ' N ' ' A' ' 616' ' ' GLY . 25.6 t -48.43 116.99 1.77 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 74.13 108.335 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 9.5 ttt180 -71.81 -25.24 61.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 74.11 110.285 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 614' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -66.04 -35.86 81.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 72.23 109.291 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 615' ' ' CYS . . . . . 0.403 ' N ' ' SG ' ' A' ' 559' ' ' CYS . 1.4 m -127.42 -73.34 0.61 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.123 . . . . 72.21 108.288 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 616' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 150.98 -18.81 0.96 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.535 1.147 . . . . 61.52 111.026 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -42.08 102.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 0.781 . . . . 74.35 110.33 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 7.5 t -49.33 130.4 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 71.4 109.287 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 619' ' ' TRP . . . . . 0.578 ' CE2' ' CE ' ' A' ' 638' ' ' MET . 39.4 m0 -94.2 -36.21 12.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 74.23 107.994 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 620' ' ' GLY . . . . . . . . . . . . . . . 154.18 -113.5 0.57 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.455 1.097 . . . . 73.32 110.969 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 621' ' ' LEU . . . . . 0.5 ' CD2' ' O ' ' A' ' 622' ' ' GLN . 0.0 OUTLIER -147.84 155.76 41.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 0.773 . . . . 74.23 109.297 -179.941 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 622' ' ' GLN . . . . . 0.5 ' O ' ' CD2' ' A' ' 621' ' ' LEU . 1.1 tt0 -85.02 133.56 34.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 74.04 110.331 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 623' ' ' MET . . . . . 0.539 ' HG3' ' CH2' ' A' ' 604' ' ' TRP . 12.4 mmt -114.61 141.98 47.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 71.21 111.03 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 624' ' ' ILE . . . . . 0.419 ' CD1' ' N ' ' A' ' 624' ' ' ILE . 3.7 mp -115.37 141.53 31.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 74.04 109.302 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 625' ' ' TYR . . . . . 0.435 ' CE2' ' HG3' ' A' ' 626' ' ' LYS . 21.4 t80 -149.07 110.3 4.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 74.13 110.976 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 626' ' ' LYS . . . . . 0.492 ' O ' ' CB ' ' A' ' 627' ' ' SER . 1.2 mmpt? 68.47 18.54 8.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 75.35 109.306 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 627' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.2 p 85.37 39.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 72.21 109.998 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 628' ' ' VAL . . . . . 0.466 ' CG1' ' CD2' ' A' ' 630' ' ' LEU . 48.9 t -124.97 113.01 33.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.559 1.162 . . . . 63.22 109.323 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 629' ' ' LYS . . . . . 0.499 ' CE ' ' OE1' ' A' ' 622' ' ' GLN . 5.4 mmmm -71.44 99.38 1.99 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 75.15 109.324 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 630' ' ' LEU . . . . . 0.563 HD11 ' CE1' ' A' ' 662' ' ' PHE . 56.6 mt -115.55 111.76 43.74 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 74.51 109.313 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 631' ' ' PRO . . . . . 0.416 ' CG ' ' CD2' ' A' ' 584' ' ' PHE . 18.5 Cg_endo -74.98 129.59 12.5 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.5 1.789 . . . . 72.35 111.019 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 632' ' ' VAL . . . . . 0.448 ' C ' ' CD1' ' A' ' 633' ' ' LEU . 16.7 t -98.89 109.08 23.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 73.45 109.291 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 633' ' ' LEU . . . . . 0.543 ' CD1' ' N ' ' A' ' 633' ' ' LEU . 0.0 OUTLIER -111.03 171.73 7.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 73.1 109.327 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 634' ' ' LYS . . . . . 0.438 ' HE3' ' CG ' ' A' ' 636' ' ' ARG . 1.1 mtmt -99.95 -178.15 3.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.095 . . . . 73.13 109.299 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 635' ' ' VAL . . . . . 0.516 ' HB ' ' CD2' ' A' ' 652' ' ' TRP . 13.9 p -102.63 -28.95 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 73.4 109.299 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 636' ' ' ARG . . . . . 0.438 ' CG ' ' HE3' ' A' ' 634' ' ' LYS . 1.6 ptm180 -76.86 -17.59 58.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 75.23 110.265 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 4.9 p -99.47 -11.69 20.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 74.21 110.005 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 638' ' ' MET . . . . . 0.578 ' CE ' ' CE2' ' A' ' 619' ' ' TRP . 32.9 mmt -109.09 129.09 55.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 73.01 111.034 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 639' ' ' LEU . . . . . . . . . . . . . 7.2 tp -93.03 141.31 28.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 74.53 109.318 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 640' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -109.18 94.37 5.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 71.32 109.253 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . 0.466 ' CG ' HD11 ' A' ' 555' ' ' LEU . 7.3 mt-10 -75.43 127.81 33.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 74.32 110.277 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 642' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.42 160.31 67.27 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.113 . . . . 70.53 110.379 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 1.96 7.14 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.46 1.768 . . . . 73.4 110.977 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -108.96 -9.09 15.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 73.1 110.313 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 127.18 134.53 3.98 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.521 1.138 . . . . 73.24 110.945 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 66.0 mtm180 -46.11 152.32 0.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 0.755 . . . . 74.35 110.258 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 647' ' ' ILE . . . . . . . . . . . . . 35.5 mt -139.76 134.61 38.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 73.42 109.275 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 648' ' ' GLN . . . . . 0.472 ' CG ' HG21 ' A' ' 557' ' ' ILE . 1.6 tm0? -133.92 110.11 9.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.134 . . . . 72.41 110.317 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 649' ' ' ALA . . . . . 0.478 ' CB ' ' HB2' ' A' ' 654' ' ' ARG . . . -101.21 -178.39 3.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 65.01 109.293 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 39.1 mttt -114.14 -13.31 12.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 74.44 109.261 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 651' ' ' LYS . . . . . 0.452 ' C ' ' CG1' ' A' ' 635' ' ' VAL . 13.7 mmmt -144.24 160.16 41.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 73.1 109.316 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 652' ' ' TRP . . . . . 0.537 ' CG ' ' CD2' ' A' ' 577' ' ' HIS . 69.0 m95 -74.52 -6.06 46.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 72.1 107.993 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 1.9 t -72.13 -18.37 61.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 74.44 109.972 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 654' ' ' ARG . . . . . 0.478 ' HB2' ' CB ' ' A' ' 649' ' ' ALA . 6.0 mmm-85 -100.58 -17.67 16.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 75.3 110.298 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 655' ' ' VAL . . . . . 0.565 HG11 ' CZ ' ' A' ' 657' ' ' PHE . 2.9 t -40.17 118.74 1.43 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 75.21 109.339 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 656' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -42.62 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.532 1.806 . . . . 74.43 111.015 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 657' ' ' PHE . . . . . 0.565 ' CZ ' HG11 ' A' ' 655' ' ' VAL . 50.5 p90 -72.71 160.39 32.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 73.21 111.003 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 658' ' ' SER . . . . . 0.443 ' O ' ' CG1' ' A' ' 549' ' ' VAL . 42.2 m -88.68 149.54 23.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 74.53 110.026 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 659' ' ' VAL . . . . . 0.523 HG21 ' CE2' ' A' ' 657' ' ' PHE . 2.2 t -133.97 95.48 17.07 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 75.52 109.283 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 660' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 148.82 35.69 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.512 1.796 . . . . 73.52 110.981 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 58.3 p30 -54.67 166.6 0.45 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 75.1 109.295 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 662' ' ' PHE . . . . . 0.563 ' CE1' HD11 ' A' ' 630' ' ' LEU . 47.9 t80 -77.65 111.86 13.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 74.3 110.984 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 663' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -69.25 93.52 0.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 71.45 109.292 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 664' ' ' PHE . . . . . 0.569 ' CE1' ' SG ' ' A' ' 668' ' ' CYS . 31.4 t80 -65.7 -37.36 86.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 71.54 110.989 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 85.7 mt -60.57 -56.75 17.55 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.123 . . . . 75.21 109.299 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 666' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 669' ' ' ALA . 13.3 tt0 -59.99 -60.13 4.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 74.33 110.292 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 667' ' ' HIS . . . . . 0.418 ' NE2' HG12 ' A' ' 628' ' ' VAL . 3.8 t60 -45.96 -37.09 6.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 72.45 109.58 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 668' ' ' CYS . . . . . 0.569 ' SG ' ' CE1' ' A' ' 664' ' ' PHE . 5.9 m -67.95 -42.74 80.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.135 . . . . 74.54 108.259 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 669' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 666' ' ' GLN . . . -70.02 -11.43 60.87 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.487 1.117 . . . . 64.44 109.303 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 670' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -86.22 -33.32 20.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 75.41 110.272 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 671' ' ' ASN . . . . . 0.418 ' N ' HD21 ' A' ' 671' ' ' ASN . 2.1 m-80 -95.25 -61.03 1.55 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 73.21 109.264 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 3.1 mt -42.28 -57.89 2.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.095 . . . . 73.11 109.303 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 1.3 m 65.55 21.58 11.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 72.43 109.985 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -72.33 -15.36 61.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 71.42 109.295 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 675' ' ' LEU . . . . . 0.416 HD22 ' CB ' ' A' ' 669' ' ' ALA . 1.0 OUTLIER -76.31 -61.71 1.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 74.2 109.279 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 676' ' ' SER . . . . . . . . . . . . . 4.6 p -173.16 150.52 1.95 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 75.13 109.986 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 677' ' ' LEU . . . . . 0.542 ' CD1' ' N ' ' A' ' 677' ' ' LEU . 1.7 mp -86.61 -51.94 5.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 74.54 109.296 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 2.8 t70 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 74.53 109.32 179.984 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 679' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.954 -0.859 . . . . 71.14 110.954 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -27.72 9.76 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.506 1.793 . . . . 71.15 110.999 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -124.22 121.52 35.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 75.45 109.602 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 545' ' ' MET . . . . . . . . . . . . . 5.5 mtt -85.14 98.87 10.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 72.13 110.997 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 546' ' ' GLN . . . . . 0.595 ' C ' ' CD1' ' A' ' 547' ' ' PHE . 3.6 pt20 -120.38 155.35 33.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.435 1.085 . . . . 75.5 110.329 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 547' ' ' PHE . . . . . 0.647 ' CD1' ' N ' ' A' ' 547' ' ' PHE . 0.1 OUTLIER -153.16 98.21 2.77 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 74.4 111.03 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 548' ' ' PRO . . . . . 0.509 ' HG2' ' CG ' ' A' ' 551' ' ' HIS . 18.1 Cg_endo -75.0 138.02 22.46 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.492 1.785 . . . . 71.04 111.024 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 549' ' ' VAL . . . . . 0.433 ' CG2' ' OG ' ' A' ' 567' ' ' SER . 17.9 m -52.92 -32.26 17.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 73.34 109.258 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 550' ' ' GLU . . . . . 0.451 ' OE2' ' NE2' ' A' ' 551' ' ' HIS . 2.6 pt-20 -66.22 -30.27 70.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 74.22 110.303 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 551' ' ' HIS . . . . . 0.509 ' CG ' ' HG2' ' A' ' 548' ' ' PRO . 23.9 m170 -96.46 -8.92 30.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 75.5 109.556 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 552' ' ' VAL . . . . . 0.464 ' CG1' HD11 ' A' ' 640' ' ' LEU . 86.8 t -103.13 130.12 53.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 74.23 109.261 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 553' ' ' GLN . . . . . 0.4 ' C ' HD12 ' A' ' 555' ' ' LEU . 10.1 tt0 -119.37 162.33 18.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 71.43 110.311 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 1.3 mt -96.43 108.48 21.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 74.11 109.277 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 555' ' ' LEU . . . . . 0.574 ' CD1' ' N ' ' A' ' 555' ' ' LEU . 0.4 OUTLIER -120.8 172.03 8.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.571 1.169 . . . . 74.34 109.349 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 556' ' ' CYS . . . . . 0.562 ' O ' ' N ' ' A' ' 560' ' ' MET . 3.5 t -107.96 109.29 20.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.02 -0.991 . . . . 72.11 110.958 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 557' ' ' ILE . . . . . 0.496 HG23 ' CG ' ' A' ' 648' ' ' GLN . 0.9 OUTLIER -36.05 -32.23 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.1 . . . . 71.43 109.293 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 558' ' ' ASN . . . . . 0.509 ' N ' ' O ' ' A' ' 556' ' ' CYS . 2.7 m120 -86.23 -67.05 0.84 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 74.41 109.311 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 559' ' ' CYS . . . . . 0.471 ' O ' ' HB2' ' A' ' 560' ' ' MET . 3.7 m -62.42 -64.53 0.9 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 64.21 108.306 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 560' ' ' MET . . . . . 0.562 ' N ' ' O ' ' A' ' 556' ' ' CYS . 11.6 mtm 68.24 39.94 2.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 75.21 110.994 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 561' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -117.81 11.87 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 75.43 109.301 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 562' ' ' ALA . . . . . . . . . . . . . . . 66.17 112.44 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 75.02 109.284 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 563' ' ' VAL . . . . . 0.512 ' O ' ' CD2' ' A' ' 587' ' ' TYR . 1.0 OUTLIER -106.96 -8.21 10.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 55.31 109.307 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -170.26 -148.71 6.04 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.501 1.125 . . . . 74.21 111.002 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 565' ' ' HIS . . . . . . . . . . . . . 18.9 m-70 -138.84 150.17 45.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 0.794 . . . . 74.41 109.613 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 566' ' ' GLY . . . . . 0.495 ' O ' ' CD1' ' A' ' 569' ' ' LEU . . . -80.49 -12.89 82.48 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.534 1.146 . . . . 64.22 111.008 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 567' ' ' SER . . . . . 0.433 ' OG ' ' CG2' ' A' ' 549' ' ' VAL . 9.2 t -101.96 2.22 37.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 0.751 . . . . 72.14 110.001 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -106.17 -24.47 12.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 71.43 109.294 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 569' ' ' LEU . . . . . 0.495 ' CD1' ' O ' ' A' ' 566' ' ' GLY . 0.2 OUTLIER -74.18 149.89 40.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 74.41 109.329 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 570' ' ' ARG . . . . . 0.428 ' NH2' ' OD1' ' A' ' 663' ' ' ASP . 15.2 mmm-85 -137.53 144.93 42.38 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 73.21 110.281 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 571' ' ' LYS . . . . . 0.553 ' HD3' ' CE1' ' A' ' 577' ' ' HIS . 18.5 ttpt -79.66 158.75 26.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 71.31 109.336 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 572' ' ' VAL . . . . . 0.417 ' CG2' HG22 ' A' ' 578' ' ' VAL . 2.6 t -112.09 107.75 23.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 72.13 109.307 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 573' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 41.36 36.79 0.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 75.12 110.264 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 574' ' ' GLY . . . . . 0.463 ' HA2' ' CD ' ' A' ' 571' ' ' LYS . . . 49.86 49.4 35.27 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.506 1.129 . . . . 72.11 110.989 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 1.2 m -125.27 -64.67 1.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 0.768 . . . . 74.25 110.364 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -127.13 150.71 49.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.138 . . . . 74.31 109.626 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 577' ' ' HIS . . . . . 0.796 ' CD2' ' CE3' ' A' ' 652' ' ' TRP . 9.9 m80 -88.0 130.23 35.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 72.31 109.573 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 578' ' ' VAL . . . . . 0.458 ' CG1' HG21 ' A' ' 632' ' ' VAL . 22.3 m -137.46 108.62 5.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 73.23 109.29 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 579' ' ' ASN . . . . . 0.449 ' HB3' ' CD2' ' A' ' 633' ' ' LEU . 1.5 t-20 -79.86 110.07 14.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 71.22 109.331 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 580' ' ' VAL . . . . . 0.474 HG12 ' CE1' ' A' ' 667' ' ' HIS . 3.3 t -81.51 151.43 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 75.23 109.315 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 581' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 580' ' ' VAL . 0.3 OUTLIER 161.82 126.67 0.01 OUTLIER Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 62.14 109.282 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 582' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -24.61 12.74 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.545 1.813 . . . . 74.52 111.034 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 583' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -81.86 -4.45 56.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 73.15 109.293 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 584' ' ' PHE . . . . . 0.553 ' O ' ' CD2' ' A' ' 588' ' ' TYR . 2.3 t80 -72.46 -32.86 66.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 73.02 111.012 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 585' ' ' SER . . . . . 0.516 ' HA ' ' CE2' ' A' ' 588' ' ' TYR . 9.1 t -57.01 -25.15 58.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.157 . . . . 75.41 110.013 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -87.83 -18.0 30.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 70.31 109.262 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 587' ' ' TYR . . . . . 0.512 ' CD2' ' O ' ' A' ' 563' ' ' VAL . 6.5 m-85 -92.5 2.08 56.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 72.04 110.993 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 588' ' ' TYR . . . . . 0.58 ' CD1' ' C ' ' A' ' 588' ' ' TYR . 1.6 p90 -161.29 161.1 30.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 61.23 111.051 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 589' ' ' ASN . . . . . 0.401 ' ND2' ' HB2' ' A' ' 613' ' ' ARG . 37.4 m-80 -128.74 126.2 39.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 74.12 109.311 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 590' ' ' VAL . . . . . 0.42 ' CG1' ' HA3' ' A' ' 608' ' ' GLY . 7.9 t -73.16 141.49 16.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 63.42 109.28 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 7.7 p -62.89 173.84 1.24 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 73.11 110.006 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 60.5 ttt180 -81.83 -42.08 20.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 74.43 110.345 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -47.78 151.47 1.56 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 64.25 109.294 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -89.56 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.434 1.755 . . . . 65.22 111.001 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 79.7 t -105.57 127.76 60.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 73.45 109.338 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 596' ' ' VAL . . . . . . . . . . . . . 2.2 t -135.26 78.17 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.469 1.105 . . . . 74.54 109.357 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 597' ' ' ILE . . . . . 0.471 ' CG2' ' N ' ' A' ' 598' ' ' ASN . 2.5 mt -144.01 162.16 15.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 74.0 109.268 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 598' ' ' ASN . . . . . 0.471 ' N ' ' CG2' ' A' ' 597' ' ' ILE . 33.5 t30 -71.41 -52.0 20.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 75.11 109.267 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 599' ' ' LYS . . . . . 0.552 ' HE3' ' CE2' ' A' ' 601' ' ' PHE . 0.0 OUTLIER -135.24 133.58 39.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 71.25 109.278 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 600' ' ' VAL . . . . . . . . . . . . . 11.7 t -86.98 151.05 3.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.135 . . . . 75.33 109.266 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 601' ' ' PHE . . . . . 0.552 ' CE2' ' HE3' ' A' ' 599' ' ' LYS . 10.5 m-85 -120.66 168.12 11.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.432 1.083 . . . . 75.02 110.974 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 602' ' ' LYS . . . . . 0.407 ' C ' ' N ' ' A' ' 604' ' ' TRP . 28.0 tptp -100.67 -56.02 2.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 75.41 109.263 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 603' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 602' ' ' LYS . 14.9 m-20 -40.36 -32.54 0.19 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 71.22 109.292 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 604' ' ' TRP . . . . . 0.601 ' CH2' ' SD ' ' A' ' 623' ' ' MET . 0.2 OUTLIER -157.18 124.6 5.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 75.3 108.003 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 605' ' ' LYS . . . . . . . . . . . . . 22.8 pttt -86.39 163.21 43.09 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 75.03 109.329 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 606' ' ' PRO . . . . . 0.484 ' O ' ' CD1' ' A' ' 624' ' ' ILE . 18.1 Cg_endo -74.99 -166.49 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.466 1.772 . . . . 71.44 111.003 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 607' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 622' ' ' GLN . . . -152.97 -101.5 0.21 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.524 1.14 . . . . 61.41 111.027 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 608' ' ' GLY . . . . . 0.42 ' HA3' ' CG1' ' A' ' 590' ' ' VAL . . . -151.05 152.15 24.01 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 110.999 -0.84 . . . . 74.25 110.999 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 13.4 t -56.53 128.3 16.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.536 0.786 . . . . 75.51 109.291 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 610' ' ' ILE . . . . . 0.457 HG13 ' CA ' ' A' ' 621' ' ' LEU . 0.6 OUTLIER -91.25 149.54 4.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 75.13 109.301 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -153.87 114.81 4.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.169 . . . . 75.0 110.028 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 612' ' ' CYS . . . . . 0.439 ' HB2' ' CE2' ' A' ' 619' ' ' TRP . 19.2 t -48.23 122.36 5.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 75.23 108.288 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 613' ' ' ARG . . . . . 0.401 ' HB2' ' ND2' ' A' ' 589' ' ' ASN . 6.7 ttt180 -69.92 -27.42 64.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 71.42 110.292 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 614' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -66.84 -38.87 87.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 64.34 109.28 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 615' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -122.94 -76.89 0.59 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 73.11 108.338 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 616' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 147.69 -17.72 1.44 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.528 1.143 . . . . 75.52 110.976 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -42.9 102.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 0.756 . . . . 75.51 110.3 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 23.9 t -50.63 118.97 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 61.24 109.3 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 619' ' ' TRP . . . . . 0.569 ' CZ2' ' HE3' ' A' ' 638' ' ' MET . 41.7 m0 -83.76 -22.56 31.87 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.014 -1.106 . . . . 74.33 108.014 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 620' ' ' GLY . . . . . . . . . . . . . . . 145.89 -116.44 0.89 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.513 1.133 . . . . 72.21 111.001 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 621' ' ' LEU . . . . . 0.457 ' CA ' HG13 ' A' ' 610' ' ' ILE . 0.0 OUTLIER -145.66 161.58 39.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 0.747 . . . . 73.43 109.279 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 622' ' ' GLN . . . . . 0.486 ' OE1' ' CE ' ' A' ' 629' ' ' LYS . 1.2 tt0 -93.96 136.82 33.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 75.54 110.28 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 623' ' ' MET . . . . . 0.601 ' SD ' ' CH2' ' A' ' 604' ' ' TRP . 13.9 mtp -119.43 136.55 54.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 75.23 111.008 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 624' ' ' ILE . . . . . 0.484 ' CD1' ' O ' ' A' ' 606' ' ' PRO . 4.6 mp -110.08 132.97 56.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 75.3 109.292 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 625' ' ' TYR . . . . . 0.566 ' C ' ' CD1' ' A' ' 625' ' ' TYR . 0.2 OUTLIER -137.74 117.11 12.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.128 . . . . 74.24 111.024 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 626' ' ' LYS . . . . . 0.505 ' O ' ' CB ' ' A' ' 627' ' ' SER . 0.8 OUTLIER 56.22 22.65 6.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 65.32 109.31 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 627' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.2 p 85.88 42.04 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 51.52 110.038 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 628' ' ' VAL . . . . . 0.511 ' CG1' ' CD2' ' A' ' 630' ' ' LEU . 53.9 t -127.68 112.53 28.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 72.4 109.278 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 629' ' ' LYS . . . . . 0.486 ' CE ' ' OE1' ' A' ' 622' ' ' GLN . 6.5 mmmm -75.7 100.54 4.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 73.31 109.303 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 630' ' ' LEU . . . . . 0.511 ' CD2' ' CG1' ' A' ' 628' ' ' VAL . 30.8 mt -119.01 111.69 36.94 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 70.4 109.343 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 631' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 136.92 20.96 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.536 1.809 . . . . 75.13 110.964 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 632' ' ' VAL . . . . . 0.458 HG21 ' CG1' ' A' ' 578' ' ' VAL . 5.1 t -102.13 99.0 7.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.133 . . . . 74.54 109.287 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 633' ' ' LEU . . . . . 0.594 ' CD1' ' N ' ' A' ' 633' ' ' LEU . 0.0 OUTLIER -102.51 171.77 7.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 73.12 109.34 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 634' ' ' LYS . . . . . 0.452 ' CD ' ' O ' ' A' ' 619' ' ' TRP . 0.0 OUTLIER -105.56 -165.34 1.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 72.02 109.301 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 635' ' ' VAL . . . . . 0.478 HG12 ' CG ' ' A' ' 652' ' ' TRP . 0.0 OUTLIER -112.0 -30.47 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 70.12 109.307 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 636' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -74.06 -3.2 27.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 71.23 110.314 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 4.8 p -114.5 -11.43 12.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 62.22 109.981 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 638' ' ' MET . . . . . 0.569 ' HE3' ' CZ2' ' A' ' 619' ' ' TRP . 29.0 mmt -112.5 133.7 54.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 75.54 111.008 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 639' ' ' LEU . . . . . 0.471 ' CD1' ' HA ' ' A' ' 557' ' ' ILE . 0.9 OUTLIER -110.3 111.97 23.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 72.22 109.281 -179.938 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 640' ' ' LEU . . . . . 0.571 HD11 ' CD1' ' A' ' 657' ' ' PHE . 2.0 mm? -79.89 112.24 16.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 74.24 109.277 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -74.45 135.66 42.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 71.35 110.304 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 642' ' ' THR . . . . . . . . . . . . . 7.6 p -141.51 158.65 62.89 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 74.42 110.387 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -18.31 18.87 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.482 1.78 . . . . 72.0 111.019 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -88.7 -7.89 55.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 72.14 110.291 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 126.11 135.67 4.3 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.492 1.12 . . . . 65.52 111.003 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 646' ' ' ARG . . . . . 0.458 ' CG ' HD22 ' A' ' 639' ' ' LEU . 15.5 mtm-85 -43.95 152.64 0.16 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 0.765 . . . . 74.41 110.268 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 647' ' ' ILE . . . . . . . . . . . . . 27.5 mt -135.43 139.36 46.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 73.14 109.318 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 648' ' ' GLN . . . . . 0.496 ' CG ' HG23 ' A' ' 557' ' ' ILE . 0.3 OUTLIER -133.52 109.68 9.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 71.32 110.29 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 649' ' ' ALA . . . . . . . . . . . . . . . -119.68 169.5 10.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 74.11 109.324 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 650' ' ' LYS . . . . . 0.447 ' C ' ' CG2' ' A' ' 635' ' ' VAL . 2.2 mtmt -116.62 -4.86 11.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 72.22 109.325 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 651' ' ' LYS . . . . . 0.471 ' CA ' HG21 ' A' ' 635' ' ' VAL . 0.0 OUTLIER -128.74 133.35 48.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 73.12 109.295 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 652' ' ' TRP . . . . . 0.796 ' CE3' ' CD2' ' A' ' 577' ' ' HIS . 69.5 m95 -65.02 -13.79 58.79 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.99 -1.115 . . . . 74.14 107.99 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 10.8 t -69.21 -13.82 62.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 75.25 110.005 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 654' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 655' ' ' VAL . 4.5 mmm180 -102.95 -22.79 13.77 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.506 1.129 . . . . 74.14 110.275 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 655' ' ' VAL . . . . . 0.575 HG13 ' CD1' ' A' ' 657' ' ' PHE . 2.2 t -39.94 130.62 1.54 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 73.12 109.319 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 656' ' ' PRO . . . . . 0.471 ' HB2' ' CG ' ' A' ' 547' ' ' PHE . 18.3 Cg_endo -75.01 -52.27 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.507 1.793 . . . . 75.34 111.005 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 657' ' ' PHE . . . . . 0.575 ' CD1' HG13 ' A' ' 655' ' ' VAL . 41.1 p90 -65.26 172.25 3.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 75.3 110.981 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 1.4 m -119.49 149.96 41.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.437 1.086 . . . . 73.11 110.056 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 659' ' ' VAL . . . . . 0.514 HG12 ' CD2' ' A' ' 577' ' ' HIS . 0.1 OUTLIER -149.77 107.12 3.26 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 54.14 109.295 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 660' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 167.63 26.63 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.507 1.793 . . . . 70.54 111.042 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -60.5 160.26 9.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 64.55 109.306 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 662' ' ' PHE . . . . . 0.659 ' CZ ' ' CG ' ' A' ' 667' ' ' HIS . 37.5 t80 -60.54 153.23 23.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 74.11 111.003 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 663' ' ' ASP . . . . . 0.428 ' OD1' ' NH2' ' A' ' 570' ' ' ARG . 11.9 p-10 -134.83 71.49 1.44 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 71.1 109.313 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 664' ' ' PHE . . . . . 0.494 ' O ' ' CB ' ' A' ' 668' ' ' CYS . 82.1 t80 -39.61 -28.75 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 74.3 111.013 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 665' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 663' ' ' ASP . 7.7 mt -58.66 -50.48 73.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 73.13 109.281 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 666' ' ' GLN . . . . . 0.428 ' O ' ' N ' ' A' ' 670' ' ' GLU . 19.0 tt0 -85.23 -48.27 9.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 71.43 110.292 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 667' ' ' HIS . . . . . 0.659 ' CG ' ' CZ ' ' A' ' 662' ' ' PHE . 9.0 t-80 -50.05 -42.59 50.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 74.0 109.616 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 668' ' ' CYS . . . . . 0.494 ' CB ' ' O ' ' A' ' 664' ' ' PHE . 47.8 t -68.67 -47.18 67.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 72.25 108.332 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -65.66 -11.52 45.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 55.21 109.313 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 670' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 666' ' ' GLN . 7.0 mt-10 -115.72 -1.74 12.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 74.43 110.254 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 671' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 667' ' ' HIS . 1.1 m-80 -110.26 -19.84 12.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 74.13 109.333 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 14.9 mt -93.16 -179.35 5.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 73.24 109.28 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 673' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 674' ' ' ASP . 1.1 m -94.17 -3.29 51.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 64.2 109.999 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 674' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 673' ' ' SER . 33.3 t0 -40.37 -33.72 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 74.4 109.275 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 675' ' ' LEU . . . . . 0.411 ' N ' HD13 ' A' ' 675' ' ' LEU . 0.0 OUTLIER -61.69 -78.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 62.23 109.29 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 676' ' ' SER . . . . . . . . . . . . . 18.8 m -159.22 154.59 25.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.117 . . . . 74.4 109.995 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 677' ' ' LEU . . . . . 0.538 ' CD1' ' N ' ' A' ' 677' ' ' LEU . 2.0 mp -85.46 -66.19 0.93 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 73.11 109.314 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 8.7 t0 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 72.53 109.319 -179.979 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 679' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.946 0 N-CA-C 111.01 -0.836 . . . . 55.54 111.01 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -175.68 2.48 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.416 1.745 . . . . 55.42 111.008 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -107.09 15.65 25.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 70.04 109.614 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 545' ' ' MET . . . . . . . . . . . . . 63.5 mtp 42.52 46.08 4.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 75.31 111.001 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 546' ' ' GLN . . . . . 0.437 ' O ' ' NE2' ' A' ' 644' ' ' GLN . 3.2 pt20 -110.92 142.68 42.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 65.03 110.275 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -149.73 101.73 3.25 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 64.33 111.003 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 548' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 141.65 26.92 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.479 1.778 . . . . 74.21 111.001 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 549' ' ' VAL . . . . . 0.495 ' CG1' ' O ' ' A' ' 658' ' ' SER . 35.3 m -50.02 -45.68 23.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 75.42 109.287 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -53.97 -30.25 46.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 72.11 110.272 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 13.0 m170 -88.69 -26.89 21.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 74.42 109.557 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 552' ' ' VAL . . . . . 0.439 ' CG2' ' HB3' ' A' ' 657' ' ' PHE . 55.7 t -84.26 124.62 39.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 64.33 109.262 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 553' ' ' GLN . . . . . 0.515 ' OE1' ' CE1' ' A' ' 565' ' ' HIS . 7.7 tt0 -112.51 149.59 32.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 73.51 110.327 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 1.4 mt -93.28 113.63 25.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 74.44 109.289 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 555' ' ' LEU . . . . . 0.49 HD22 ' CA ' ' A' ' 562' ' ' ALA . 0.2 OUTLIER -134.54 -179.92 5.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 74.25 109.33 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 556' ' ' CYS . . . . . 0.548 ' O ' ' N ' ' A' ' 560' ' ' MET . 5.1 t -107.53 102.33 11.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 114.994 -1.003 . . . . 65.45 110.912 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 557' ' ' ILE . . . . . 0.48 ' C ' ' O ' ' A' ' 556' ' ' CYS . 1.2 pt -34.71 -34.46 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 74.15 109.311 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 558' ' ' ASN . . . . . 0.506 ' N ' ' O ' ' A' ' 556' ' ' CYS . 3.0 m120 -73.86 -62.31 1.54 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 64.32 109.28 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 559' ' ' CYS . . . . . 0.476 ' O ' ' HB2' ' A' ' 560' ' ' MET . 1.3 m -80.02 -68.33 0.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 62.11 108.308 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 560' ' ' MET . . . . . 0.548 ' N ' ' O ' ' A' ' 556' ' ' CYS . 23.2 mtm 78.07 47.94 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 73.24 111.009 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 561' ' ' VAL . . . . . 0.496 ' O ' ' CB ' ' A' ' 562' ' ' ALA . 0.9 OUTLIER -108.86 -2.86 10.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 73.25 109.309 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 562' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 561' ' ' VAL . . . 83.49 99.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 73.12 109.288 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 563' ' ' VAL . . . . . 0.435 HG12 ' CD1' ' A' ' 587' ' ' TYR . 2.6 m -97.41 -5.35 9.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 75.13 109.349 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . 178.84 -160.91 26.94 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.522 1.139 . . . . 63.42 110.995 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 565' ' ' HIS . . . . . 0.515 ' CE1' ' OE1' ' A' ' 553' ' ' GLN . 14.8 m-70 -125.72 147.73 49.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 0.782 . . . . 74.3 109.611 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 566' ' ' GLY . . . . . 0.454 ' O ' ' CD1' ' A' ' 569' ' ' LEU . . . -71.51 -13.09 74.1 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.556 1.16 . . . . 73.44 110.999 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 567' ' ' SER . . . . . 0.422 ' CB ' HG21 ' A' ' 549' ' ' VAL . 20.3 p -104.73 8.36 34.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 0.783 . . . . 65.41 110.0 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -110.17 -13.64 14.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 75.21 109.303 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 569' ' ' LEU . . . . . 0.474 ' CB ' ' HA ' ' A' ' 579' ' ' ASN . 0.2 OUTLIER -88.19 150.91 23.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 71.34 109.264 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 570' ' ' ARG . . . . . 0.483 ' C ' ' CG2' ' A' ' 659' ' ' VAL . 1.5 mpt_? -123.83 -175.1 3.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 75.31 110.294 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 571' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 662' ' ' PHE . 12.4 ttmt -124.34 158.1 33.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 73.45 109.267 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 2.8 t -130.47 104.36 9.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.128 . . . . 71.34 109.321 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 573' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 41.35 35.59 0.44 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 73.52 110.328 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 41.29 47.43 4.49 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.509 1.13 . . . . 75.41 111.013 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 575' ' ' THR . . . . . 0.433 ' O ' ' CG ' ' A' ' 576' ' ' HIS . 2.1 m -111.69 -44.36 3.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 0.787 . . . . 63.44 110.405 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 576' ' ' HIS . . . . . 0.433 ' CG ' ' O ' ' A' ' 575' ' ' THR . 29.8 m80 -159.22 121.09 3.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 74.23 109.606 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 577' ' ' HIS . . . . . 0.753 ' CD2' ' CE3' ' A' ' 652' ' ' TRP . 6.6 m80 -58.48 142.7 48.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 75.15 109.623 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 578' ' ' VAL . . . . . . . . . . . . . 23.7 m -143.83 108.6 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 65.23 109.315 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 579' ' ' ASN . . . . . 0.589 ' OD1' ' CE1' ' A' ' 584' ' ' PHE . 1.5 t-20 -80.38 109.07 14.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 73.23 109.284 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 580' ' ' VAL . . . . . 0.543 ' CG1' ' CD2' ' A' ' 630' ' ' LEU . 2.3 t -82.28 149.03 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 73.32 109.295 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 581' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 580' ' ' VAL . 0.3 OUTLIER 161.94 135.19 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 70.03 109.308 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 582' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -43.53 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.487 1.782 . . . . 70.22 110.966 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 583' ' ' ASN . . . . . 0.406 ' OD1' ' N ' ' A' ' 583' ' ' ASN . 0.8 OUTLIER -60.98 -15.31 30.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 75.34 109.326 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 584' ' ' PHE . . . . . 0.589 ' CE1' ' OD1' ' A' ' 579' ' ' ASN . 1.9 t80 -63.45 -34.55 78.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 73.43 111.021 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 585' ' ' SER . . . . . 0.493 ' HA ' ' CE2' ' A' ' 588' ' ' TYR . 13.7 p -57.7 -25.75 60.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 71.12 109.999 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 -87.62 -16.86 33.27 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 74.41 109.265 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 587' ' ' TYR . . . . . 0.435 ' CD1' HG12 ' A' ' 563' ' ' VAL . 5.4 m-85 -92.72 -3.06 55.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 75.44 110.994 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 588' ' ' TYR . . . . . 0.574 ' CD1' ' C ' ' A' ' 588' ' ' TYR . 1.7 p90 -155.78 160.13 40.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 74.32 111.022 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 589' ' ' ASN . . . . . 0.412 ' ND2' ' HB2' ' A' ' 613' ' ' ARG . 29.9 m-80 -128.97 124.28 34.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 74.22 109.3 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 590' ' ' VAL . . . . . 0.455 ' CG1' ' HA3' ' A' ' 608' ' ' GLY . 12.6 t -73.58 134.38 29.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 74.33 109.278 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 30.8 t -59.04 174.41 0.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 63.21 110.006 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 32.5 mtm-85 -76.07 -56.51 4.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 73.04 110.299 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.65 146.11 0.48 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.122 . . . . 54.15 109.318 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -89.61 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.531 1.806 . . . . 75.44 110.985 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 595' ' ' VAL . . . . . 0.433 ' CG1' ' HG2' ' A' ' 606' ' ' PRO . 41.0 t -102.38 125.58 56.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 71.51 109.331 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 596' ' ' VAL . . . . . . . . . . . . . 2.2 t -135.01 78.36 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 75.25 109.292 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 597' ' ' ILE . . . . . . . . . . . . . 2.5 mt -143.65 148.36 19.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 75.55 109.351 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 598' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -50.16 -55.48 14.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 72.2 109.307 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.14 140.21 35.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 73.04 109.344 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 600' ' ' VAL . . . . . . . . . . . . . 16.4 t -83.83 144.14 10.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.151 . . . . 74.53 109.318 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 601' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -104.16 168.1 9.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 73.32 110.992 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -96.49 -54.69 3.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 74.01 109.32 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -40.07 -36.73 0.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 75.44 109.302 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 604' ' ' TRP . . . . . 0.482 ' CE3' ' HB3' ' A' ' 623' ' ' MET . 0.3 OUTLIER -157.14 156.14 32.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 74.43 108.057 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 605' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.93 162.84 19.86 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 74.22 109.281 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 606' ' ' PRO . . . . . 0.433 ' HG2' ' CG1' ' A' ' 595' ' ' VAL . 18.4 Cg_endo -74.98 -178.22 4.01 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.454 1.765 . . . . 73.33 111.019 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 607' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 622' ' ' GLN . . . -142.24 -86.11 0.09 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.461 1.101 . . . . 73.11 111.018 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 608' ' ' GLY . . . . . 0.455 ' HA3' ' CG1' ' A' ' 590' ' ' VAL . . . -160.06 144.83 10.46 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.972 -0.851 . . . . 62.4 110.972 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 21.4 t -52.51 128.18 11.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.494 0.761 . . . . 64.5 109.327 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 610' ' ' ILE . . . . . 0.461 HG13 ' CA ' ' A' ' 621' ' ' LEU . 0.7 OUTLIER -95.73 144.49 10.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.141 . . . . 73.0 109.314 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.77 123.99 15.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 72.54 109.961 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 612' ' ' CYS . . . . . 0.463 ' O ' ' N ' ' A' ' 616' ' ' GLY . 28.2 t -56.25 109.25 0.57 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 65.12 108.312 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 613' ' ' ARG . . . . . 0.412 ' HB2' ' ND2' ' A' ' 589' ' ' ASN . 9.3 ttt180 -64.93 -32.6 74.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 74.41 110.288 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 614' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -57.79 -47.68 81.86 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 73.12 109.268 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 615' ' ' CYS . . . . . 0.456 ' SG ' ' N ' ' A' ' 559' ' ' CYS . 1.9 m -118.37 -73.46 0.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 72.31 108.281 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 616' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 154.49 -20.86 0.62 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.483 1.114 . . . . 64.25 111.042 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -42.17 102.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 0.775 . . . . 64.22 110.267 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 41.4 t -53.77 120.98 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 74.22 109.288 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 619' ' ' TRP . . . . . 0.556 ' NE1' ' CE ' ' A' ' 638' ' ' MET . 48.7 m0 -78.95 -41.23 29.82 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.98 -1.119 . . . . 73.13 107.98 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 620' ' ' GLY . . . . . . . . . . . . . . . 158.41 -112.01 0.51 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.5 1.125 . . . . 65.1 110.999 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 621' ' ' LEU . . . . . 0.486 ' CD2' ' O ' ' A' ' 622' ' ' GLN . 0.0 OUTLIER -147.18 154.23 40.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 0.753 . . . . 75.52 109.239 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 622' ' ' GLN . . . . . 0.486 ' O ' ' CD2' ' A' ' 621' ' ' LEU . 1.1 tt0 -85.75 135.96 33.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 74.21 110.322 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 623' ' ' MET . . . . . 0.482 ' HB3' ' CE3' ' A' ' 604' ' ' TRP . 9.2 mmt -115.3 145.35 42.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 73.15 110.988 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 624' ' ' ILE . . . . . 0.415 ' CD1' ' N ' ' A' ' 624' ' ' ILE . 3.9 mp -114.89 141.01 33.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 73.43 109.26 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 625' ' ' TYR . . . . . 0.565 ' CE2' ' HG3' ' A' ' 626' ' ' LYS . 8.4 t80 -147.77 114.44 6.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 75.24 110.981 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 626' ' ' LYS . . . . . 0.565 ' HG3' ' CE2' ' A' ' 625' ' ' TYR . 0.0 OUTLIER 66.63 17.39 10.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 53.14 109.278 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 627' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.1 p 85.34 39.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.088 . . . . 75.41 110.031 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 628' ' ' VAL . . . . . 0.428 HG12 ' CD2' ' A' ' 630' ' ' LEU . 54.5 t -125.42 123.12 64.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.153 . . . . 74.15 109.324 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 629' ' ' LYS . . . . . 0.411 ' HE3' ' CG1' ' A' ' 624' ' ' ILE . 5.0 mmmm -75.46 99.61 4.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 73.02 109.286 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 630' ' ' LEU . . . . . 0.543 ' CD2' ' CG1' ' A' ' 580' ' ' VAL . 32.8 mt -119.68 111.65 35.95 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 72.32 109.289 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 631' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 135.9 19.79 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.532 1.806 . . . . 73.51 111.001 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 632' ' ' VAL . . . . . 0.462 HG22 ' CG ' ' A' ' 623' ' ' MET . 18.8 t -103.28 100.13 9.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 74.51 109.26 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 633' ' ' LEU . . . . . 0.556 ' CD1' ' N ' ' A' ' 633' ' ' LEU . 0.0 OUTLIER -101.73 171.6 7.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 74.43 109.309 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 634' ' ' LYS . . . . . 0.439 ' CD ' ' O ' ' A' ' 619' ' ' TRP . 2.8 mtpt -96.09 -176.77 3.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.138 . . . . 74.3 109.311 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 635' ' ' VAL . . . . . 0.52 ' HB ' ' CE2' ' A' ' 652' ' ' TRP . 7.5 p -107.16 -23.83 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 74.51 109.293 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 636' ' ' ARG . . . . . 0.413 ' N ' HG13 ' A' ' 635' ' ' VAL . 8.7 ptp180 -85.88 -4.32 59.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 72.23 110.293 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 4.4 m -109.8 -15.67 14.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 70.42 109.958 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 638' ' ' MET . . . . . 0.556 ' CE ' ' NE1' ' A' ' 619' ' ' TRP . 32.8 mmt -106.47 127.21 53.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 75.15 111.031 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 639' ' ' LEU . . . . . 0.46 ' CD2' ' HD2' ' A' ' 646' ' ' ARG . 8.6 tp -90.45 141.65 28.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 71.55 109.293 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 640' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -108.99 93.7 4.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 75.52 109.287 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . 0.44 ' CG ' HD12 ' A' ' 555' ' ' LEU . 7.0 mt-10 -73.57 120.93 19.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 73.45 110.292 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 642' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -131.69 159.76 70.49 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 74.52 110.404 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 1.69 7.48 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.442 1.759 . . . . 75.1 110.964 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 644' ' ' GLN . . . . . 0.437 ' NE2' ' O ' ' A' ' 546' ' ' GLN . 5.8 mt-30 -111.35 -4.7 14.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 71.34 110.309 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 123.79 144.16 6.44 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.496 1.122 . . . . 72.32 110.994 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 646' ' ' ARG . . . . . 0.46 ' HD2' ' CD2' ' A' ' 639' ' ' LEU . 51.7 mtm-85 -58.86 152.15 19.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 0.764 . . . . 72.34 110.278 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 647' ' ' ILE . . . . . . . . . . . . . 15.6 mt -137.28 127.23 37.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 75.53 109.308 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 648' ' ' GLN . . . . . 0.412 ' CG ' HG21 ' A' ' 557' ' ' ILE . 0.0 OUTLIER -120.82 95.38 4.69 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.143 . . . . 63.43 110.285 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 649' ' ' ALA . . . . . . . . . . . . . . . -88.73 176.08 7.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 73.33 109.261 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 26.2 mttm -111.53 -29.56 7.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 75.22 109.31 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -126.44 155.42 42.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.437 1.086 . . . . 74.3 109.298 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 652' ' ' TRP . . . . . 0.753 ' CE3' ' CD2' ' A' ' 577' ' ' HIS . 64.9 m95 -73.36 -6.88 49.03 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.967 -1.123 . . . . 74.22 107.967 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 28.8 t -73.0 -19.24 61.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 72.1 110.024 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 654' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 655' ' ' VAL . 3.2 mmm180 -101.57 -15.41 17.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 74.22 110.294 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 655' ' ' VAL . . . . . 0.575 HG13 ' CZ ' ' A' ' 657' ' ' PHE . 2.3 t -40.0 127.06 1.62 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.436 1.085 . . . . 75.31 109.266 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 656' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -50.85 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.451 1.764 . . . . 74.31 110.999 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 657' ' ' PHE . . . . . 0.575 ' CZ ' HG13 ' A' ' 655' ' ' VAL . 52.5 p90 -67.5 163.25 21.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 71.35 111.042 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 658' ' ' SER . . . . . 0.495 ' O ' ' CG1' ' A' ' 549' ' ' VAL . 0.7 OUTLIER -110.37 150.28 29.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 73.32 109.988 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 659' ' ' VAL . . . . . 0.485 HG13 ' CD2' ' A' ' 577' ' ' HIS . 0.1 OUTLIER -150.78 104.49 3.04 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 72.23 109.329 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 660' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 155.88 43.03 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.512 1.796 . . . . 73.14 111.01 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -42.52 161.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 74.15 109.313 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 662' ' ' PHE . . . . . 0.534 ' CZ ' ' CG ' ' A' ' 667' ' ' HIS . 27.5 t80 -78.36 115.8 18.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 72.0 110.988 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 663' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.25 106.95 6.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.567 1.167 . . . . 71.22 109.332 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 664' ' ' PHE . . . . . 0.455 ' O ' ' CB ' ' A' ' 668' ' ' CYS . 21.7 t80 -72.52 -34.46 67.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 74.45 110.988 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 22.3 mt -62.58 -54.79 34.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 75.43 109.29 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 666' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 669' ' ' ALA . 24.1 tp60 -61.39 -59.28 5.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 73.2 110.304 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 667' ' ' HIS . . . . . 0.534 ' CG ' ' CZ ' ' A' ' 662' ' ' PHE . 1.9 t60 -50.37 -36.99 34.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 72.22 109.629 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 668' ' ' CYS . . . . . 0.455 ' CB ' ' O ' ' A' ' 664' ' ' PHE . 42.3 t -72.79 -29.84 63.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 52.44 108.288 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 669' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 666' ' ' GLN . . . -74.54 -11.54 60.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 71.4 109.298 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 670' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -115.77 -2.21 12.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 74.02 110.274 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -106.89 -15.95 14.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 71.42 109.289 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 15.0 mt -89.38 -176.19 4.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.117 . . . . 65.45 109.371 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -100.8 7.77 43.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 71.11 110.011 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -57.44 -18.33 17.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.117 . . . . 73.34 109.299 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 675' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.19 -72.37 0.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 73.42 109.319 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 676' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -159.76 147.86 17.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.098 . . . . 65.22 109.986 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 11.4 mt -73.79 -64.29 1.03 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 75.44 109.248 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 21.8 t0 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 73.3 109.315 179.994 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 679' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 110.983 -0.847 . . . . 73.31 110.983 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -83.61 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.521 1.8 . . . . 74.43 110.967 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 30.3 m80 -116.54 136.9 52.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 75.12 109.54 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 545' ' ' MET . . . . . 0.403 ' C ' ' CE1' ' A' ' 547' ' ' PHE . 70.2 mtp -91.57 75.05 5.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 74.13 111.018 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 546' ' ' GLN . . . . . 0.605 ' C ' ' CD1' ' A' ' 547' ' ' PHE . 10.0 mt-30 -124.11 140.05 53.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 74.12 110.291 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 547' ' ' PHE . . . . . 0.645 ' CD1' ' N ' ' A' ' 547' ' ' PHE . 0.1 OUTLIER -153.12 98.67 2.75 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 73.43 110.984 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 548' ' ' PRO . . . . . 0.508 ' HG2' ' CG ' ' A' ' 551' ' ' HIS . 18.3 Cg_endo -74.97 140.81 25.99 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.482 1.78 . . . . 74.31 111.003 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 549' ' ' VAL . . . . . 0.403 HG22 ' N ' ' A' ' 550' ' ' GLU . 31.5 m -52.51 -46.75 48.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 73.25 109.3 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 550' ' ' GLU . . . . . 0.403 ' N ' HG22 ' A' ' 549' ' ' VAL . 2.4 pt-20 -54.21 -24.12 17.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 73.45 110.274 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 551' ' ' HIS . . . . . 0.508 ' CG ' ' HG2' ' A' ' 548' ' ' PRO . 35.7 m170 -99.54 -24.53 14.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.581 1.175 . . . . 73.11 109.592 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 552' ' ' VAL . . . . . . . . . . . . . 79.2 t -91.05 117.99 35.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 72.43 109.314 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -99.59 168.46 9.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 73.43 110.309 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 554' ' ' LEU . . . . . 0.582 ' CD1' ' ND2' ' A' ' 579' ' ' ASN . 1.9 mt -108.26 108.56 19.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 71.34 109.284 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 555' ' ' LEU . . . . . 0.597 ' CD1' ' N ' ' A' ' 555' ' ' LEU . 0.1 OUTLIER -121.87 174.34 6.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 75.35 109.295 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 556' ' ' CYS . . . . . 0.565 ' O ' ' N ' ' A' ' 560' ' ' MET . 3.8 t -107.46 108.57 19.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 114.992 -1.004 . . . . 72.51 110.95 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 557' ' ' ILE . . . . . 0.492 HG21 ' CG ' ' A' ' 648' ' ' GLN . 0.7 OUTLIER -35.23 -32.64 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 73.11 109.306 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 558' ' ' ASN . . . . . 0.527 ' N ' ' O ' ' A' ' 556' ' ' CYS . 4.4 m-20 -84.93 -67.06 0.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 75.13 109.309 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 559' ' ' CYS . . . . . 0.488 ' O ' ' HB2' ' A' ' 560' ' ' MET . 4.1 m -64.08 -64.52 0.87 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 74.14 108.298 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 560' ' ' MET . . . . . 0.565 ' N ' ' O ' ' A' ' 556' ' ' CYS . 10.6 mtm 68.63 42.06 1.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 73.03 110.953 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 561' ' ' VAL . . . . . 0.405 HG23 ' ND2' ' A' ' 614' ' ' ASN . 0.9 OUTLIER -116.56 10.96 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 74.02 109.334 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 562' ' ' ALA . . . . . 0.439 ' HA ' ' HG ' ' A' ' 555' ' ' LEU . . . 66.11 109.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 74.13 109.285 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 563' ' ' VAL . . . . . 0.513 HG12 ' CD1' ' A' ' 587' ' ' TYR . 0.8 OUTLIER -103.34 -12.03 9.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 74.53 109.288 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -167.17 -142.25 3.39 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.5 1.125 . . . . 65.22 110.991 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 565' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -150.8 155.19 38.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 0.748 . . . . 74.2 109.606 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . -74.39 -12.43 82.11 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.531 1.144 . . . . 71.35 111.024 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 3.1 p -108.61 12.75 25.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 0.731 . . . . 72.5 110.004 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -112.59 -32.33 6.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 71.3 109.295 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 569' ' ' LEU . . . . . 0.513 ' C ' ' CD1' ' A' ' 569' ' ' LEU . 0.1 OUTLIER -76.92 170.39 16.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 70.01 109.292 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 570' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -146.66 -175.34 4.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 73.45 110.301 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 571' ' ' LYS . . . . . 0.55 ' HD3' ' CE1' ' A' ' 577' ' ' HIS . 19.7 ttpt -126.75 158.64 35.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.127 . . . . 74.22 109.263 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 572' ' ' VAL . . . . . 0.515 ' CG2' ' CG2' ' A' ' 578' ' ' VAL . 2.4 t -121.35 111.16 30.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.163 . . . . 64.13 109.287 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 573' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 40.12 37.74 0.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 75.24 110.274 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 41.59 47.93 4.84 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.511 1.132 . . . . 74.51 110.978 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 2.7 m -119.21 -49.74 2.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 0.757 . . . . 64.54 110.409 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 23.1 m80 -146.47 106.15 3.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 75.34 109.615 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 577' ' ' HIS . . . . . 0.55 ' CE1' ' HD3' ' A' ' 571' ' ' LYS . 29.8 m-70 -46.41 126.72 8.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 75.21 109.556 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 578' ' ' VAL . . . . . 0.515 ' CG2' ' CG2' ' A' ' 572' ' ' VAL . 2.5 m -125.45 123.53 65.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 74.22 109.333 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 579' ' ' ASN . . . . . 0.582 ' ND2' ' CD1' ' A' ' 554' ' ' LEU . 0.9 OUTLIER -93.82 128.14 39.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 75.23 109.262 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 580' ' ' VAL . . . . . 0.405 ' O ' ' CG ' ' A' ' 581' ' ' ASN . 2.4 t -104.64 134.15 46.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 73.42 109.322 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 581' ' ' ASN . . . . . 0.469 ' CB ' ' HB2' ' A' ' 584' ' ' PHE . 2.1 m120 176.38 130.05 0.17 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.463 1.102 . . . . 74.32 109.318 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 582' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -36.21 2.65 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.465 1.771 . . . . 74.54 110.983 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 583' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -75.96 -2.5 30.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 71.21 109.328 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 584' ' ' PHE . . . . . 0.579 ' O ' ' CD2' ' A' ' 588' ' ' TYR . 3.4 t80 -71.9 -31.96 66.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 73.13 111.026 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 585' ' ' SER . . . . . 0.553 ' HA ' ' CE2' ' A' ' 588' ' ' TYR . 10.2 p -59.71 -21.4 60.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 73.42 109.953 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -87.39 -16.88 33.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 73.14 109.303 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 587' ' ' TYR . . . . . 0.513 ' CD1' HG12 ' A' ' 563' ' ' VAL . 10.4 m-85 -96.08 6.39 48.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 75.45 110.961 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 588' ' ' TYR . . . . . 0.579 ' CD2' ' O ' ' A' ' 584' ' ' PHE . 2.0 p90 -165.53 157.6 14.94 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.457 1.098 . . . . 72.33 111.054 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 589' ' ' ASN . . . . . . . . . . . . . 26.9 m-80 -127.86 122.37 32.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 75.35 109.277 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 590' ' ' VAL . . . . . 0.464 ' CG1' ' HA3' ' A' ' 608' ' ' GLY . 16.4 t -74.71 133.57 31.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 73.12 109.306 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 13.0 t -56.58 173.66 0.18 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 75.12 109.945 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 67.7 mtt180 -86.91 -41.85 13.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 74.54 110.337 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -42.41 155.47 0.25 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 74.54 109.303 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -89.58 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.498 1.788 . . . . 73.32 111.045 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 595' ' ' VAL . . . . . 0.448 ' CG2' ' HG2' ' A' ' 606' ' ' PRO . 41.1 t -107.2 126.16 63.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 74.21 109.303 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 596' ' ' VAL . . . . . . . . . . . . . 2.5 t -132.49 78.28 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 74.54 109.298 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 597' ' ' ILE . . . . . 0.496 ' CG2' ' N ' ' A' ' 598' ' ' ASN . 2.6 mt -141.1 163.98 20.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 75.43 109.344 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 598' ' ' ASN . . . . . 0.496 ' N ' ' CG2' ' A' ' 597' ' ' ILE . 51.6 m-20 -76.48 -50.56 13.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 61.32 109.338 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 599' ' ' LYS . . . . . 0.415 ' N ' HG22 ' A' ' 597' ' ' ILE . 0.2 OUTLIER -133.48 143.51 48.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 75.41 109.359 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 600' ' ' VAL . . . . . . . . . . . . . 9.4 t -83.12 156.08 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 72.23 109.323 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 601' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -123.65 167.65 13.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 73.13 111.049 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 602' ' ' LYS . . . . . 0.406 ' N ' ' HD3' ' A' ' 602' ' ' LYS . 0.1 OUTLIER -103.14 -57.61 2.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 71.55 109.318 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -40.52 -31.68 0.16 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.122 . . . . 72.42 109.357 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 604' ' ' TRP . . . . . 0.555 ' CE3' ' HB3' ' A' ' 623' ' ' MET . 0.5 OUTLIER -156.61 166.15 34.23 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.01 -1.108 . . . . 74.33 108.01 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 605' ' ' LYS . . . . . . . . . . . . . 16.2 pttt -117.0 165.65 14.9 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 72.2 109.319 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 606' ' ' PRO . . . . . 0.448 ' HG2' ' CG2' ' A' ' 595' ' ' VAL . 18.3 Cg_endo -74.93 165.71 30.78 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.508 1.793 . . . . 73.31 110.998 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 607' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 622' ' ' GLN . . . -130.66 -101.78 0.92 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.498 1.124 . . . . 71.44 110.99 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 608' ' ' GLY . . . . . 0.464 ' HA3' ' CG1' ' A' ' 590' ' ' VAL . . . -146.73 146.49 16.48 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.94 -0.864 . . . . 74.31 110.94 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 37.2 t -55.08 124.61 8.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 0.764 . . . . 72.21 109.266 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 610' ' ' ILE . . . . . 0.472 HG13 ' CA ' ' A' ' 621' ' ' LEU . 0.7 OUTLIER -92.59 143.79 10.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 73.12 109.3 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.83 120.7 8.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 70.52 109.987 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 612' ' ' CYS . . . . . 0.503 ' HB2' ' CE2' ' A' ' 619' ' ' TRP . 37.8 t -47.84 121.1 3.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 73.33 108.297 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 8.3 ttt-85 -70.27 -27.82 64.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 75.42 110.312 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 614' ' ' ASN . . . . . 0.405 ' ND2' HG23 ' A' ' 561' ' ' VAL . 81.0 m-20 -66.42 -38.15 86.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 74.45 109.316 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 615' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -122.14 -76.05 0.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 74.05 108.294 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 616' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 148.46 -17.0 1.29 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.504 1.128 . . . . 54.03 111.047 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -42.09 102.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 0.748 . . . . 72.53 110.323 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 618' ' ' VAL . . . . . 0.446 ' O ' ' NZ ' ' A' ' 634' ' ' LYS . 25.0 t -53.98 103.42 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 63.14 109.298 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 619' ' ' TRP . . . . . 0.539 ' CZ2' ' HE1' ' A' ' 638' ' ' MET . 37.0 m0 -62.5 -49.62 74.65 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.021 -1.103 . . . . 74.41 108.021 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 620' ' ' GLY . . . . . . . . . . . . . . . 174.56 -111.9 0.38 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.532 1.145 . . . . 65.35 110.947 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 621' ' ' LEU . . . . . 0.476 ' C ' ' CD2' ' A' ' 621' ' ' LEU . 0.0 OUTLIER -150.61 155.0 38.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 0.776 . . . . 75.33 109.253 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 622' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 607' ' ' GLY . 0.9 OUTLIER -87.53 132.75 33.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 74.44 110.283 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 623' ' ' MET . . . . . 0.555 ' HB3' ' CE3' ' A' ' 604' ' ' TRP . 10.1 mmt -109.28 141.39 41.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 74.13 110.97 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 624' ' ' ILE . . . . . 0.405 ' N ' HD11 ' A' ' 624' ' ' ILE . 4.4 mp -115.08 117.34 55.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 73.13 109.3 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 625' ' ' TYR . . . . . 0.599 ' C ' ' CD1' ' A' ' 625' ' ' TYR . 0.1 OUTLIER -113.09 115.42 28.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 73.13 111.029 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 626' ' ' LYS . . . . . 0.505 ' HE2' ' CA ' ' A' ' 626' ' ' LYS . 0.8 OUTLIER 60.35 22.41 11.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 74.55 109.292 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 627' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.2 p 84.29 42.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 71.41 109.993 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 628' ' ' VAL . . . . . 0.438 HG13 ' CD1' ' A' ' 630' ' ' LEU . 53.4 t -126.38 112.7 30.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 74.44 109.315 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 6.0 mmmm -62.4 98.23 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 73.13 109.296 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 630' ' ' LEU . . . . . 0.438 ' CD1' HG13 ' A' ' 628' ' ' VAL . 96.4 mt -125.82 112.09 24.82 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 74.32 109.28 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 631' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 162.18 37.6 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.473 1.775 . . . . 65.03 110.971 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 632' ' ' VAL . . . . . 0.444 HG21 ' CG1' ' A' ' 578' ' ' VAL . 21.7 t -134.78 102.34 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 75.41 109.32 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 633' ' ' LEU . . . . . 0.509 ' CD1' ' N ' ' A' ' 633' ' ' LEU . 0.1 OUTLIER -98.44 171.86 7.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 73.52 109.315 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 634' ' ' LYS . . . . . 0.446 ' NZ ' ' O ' ' A' ' 618' ' ' VAL . 2.9 mtmm -105.4 -172.99 2.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 74.33 109.29 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 635' ' ' VAL . . . . . 0.513 ' HB ' ' CE2' ' A' ' 652' ' ' TRP . 7.0 p -109.19 -12.97 10.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 74.14 109.302 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 636' ' ' ARG . . . . . 0.428 ' O ' ' NE2' ' A' ' 648' ' ' GLN . 0.2 OUTLIER -80.71 -35.73 33.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 75.43 110.288 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 1.3 t -89.79 -7.9 53.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.579 1.174 . . . . 73.15 110.037 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 638' ' ' MET . . . . . 0.539 ' HE1' ' CZ2' ' A' ' 619' ' ' TRP . 32.9 mmt -109.96 124.72 51.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 71.11 111.018 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 639' ' ' LEU . . . . . 0.466 ' CD2' ' HG2' ' A' ' 646' ' ' ARG . 0.6 OUTLIER -100.04 142.67 31.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 74.14 109.307 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 640' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -106.68 119.12 38.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 74.24 109.324 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -90.3 128.56 36.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 75.42 110.318 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 642' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -140.29 160.41 59.91 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 55.51 110.346 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 1.94 7.18 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.454 1.765 . . . . 75.11 110.995 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 644' ' ' GLN . . . . . 0.589 ' NE2' ' CE2' ' A' ' 547' ' ' PHE . 24.5 mt-30 -107.44 -9.48 15.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 75.44 110.277 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 125.16 143.69 6.12 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.456 1.098 . . . . 74.21 111.007 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 646' ' ' ARG . . . . . 0.466 ' HG2' ' CD2' ' A' ' 639' ' ' LEU . 51.3 mtm180 -50.74 150.6 2.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 0.787 . . . . 74.34 110.328 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 647' ' ' ILE . . . . . . . . . . . . . 51.2 mt -136.71 120.21 22.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 75.34 109.308 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 648' ' ' GLN . . . . . 0.492 ' CG ' HG21 ' A' ' 557' ' ' ILE . 0.9 OUTLIER -120.48 110.62 16.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 73.42 110.335 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 649' ' ' ALA . . . . . . . . . . . . . . . -120.63 154.36 35.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.089 . . . . 31.54 109.28 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 8.9 mttp -98.71 9.02 44.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 72.1 109.307 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 651' ' ' LYS . . . . . 0.43 ' N ' HG13 ' A' ' 635' ' ' VAL . 0.9 OUTLIER -145.79 138.85 26.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 74.24 109.258 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 652' ' ' TRP . . . . . 0.513 ' CE2' ' HB ' ' A' ' 635' ' ' VAL . 42.0 m95 -70.79 -9.25 57.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 73.21 107.994 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 42.3 m -65.87 -10.49 38.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 73.03 109.962 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 654' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 655' ' ' VAL . 5.1 mmt180 -106.77 -23.33 12.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 74.32 110.273 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 655' ' ' VAL . . . . . 0.565 HG12 ' CZ ' ' A' ' 657' ' ' PHE . 2.6 t -40.24 117.38 1.33 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 62.34 109.28 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 656' ' ' PRO . . . . . 0.505 ' HB2' ' CG ' ' A' ' 547' ' ' PHE . 18.5 Cg_endo -74.9 -42.44 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.501 1.79 . . . . 74.43 111.006 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 657' ' ' PHE . . . . . 0.565 ' CZ ' HG12 ' A' ' 655' ' ' VAL . 37.7 p90 -69.52 155.31 40.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 72.11 110.965 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.69 146.03 27.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 74.11 109.976 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 659' ' ' VAL . . . . . 0.545 HG22 ' CE1' ' A' ' 657' ' ' PHE . 2.0 t -126.53 100.53 28.64 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 72.55 109.303 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 660' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 147.36 34.04 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.451 1.764 . . . . 75.4 111.014 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -70.1 169.38 13.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 75.33 109.317 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 662' ' ' PHE . . . . . 0.674 ' CZ ' ' CG ' ' A' ' 667' ' ' HIS . 35.2 t80 -83.42 102.54 12.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.1 . . . . 74.32 110.98 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 663' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -80.7 93.52 6.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 73.34 109.309 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 664' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -43.47 -31.54 0.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 71.44 110.971 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 87.7 mt -68.43 -60.38 2.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 64.53 109.279 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 666' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 669' ' ' ALA . 10.0 tt0 -55.38 -56.1 24.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 74.35 110.307 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 667' ' ' HIS . . . . . 0.674 ' CG ' ' CZ ' ' A' ' 662' ' ' PHE . 20.3 t60 -47.36 -49.1 25.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 74.23 109.567 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 668' ' ' CYS . . . . . . . . . . . . . 6.7 m -62.07 -32.06 72.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.155 . . . . 75.12 108.342 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 669' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 666' ' ' GLN . . . -77.23 -11.48 59.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 74.1 109.304 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 670' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -115.75 -2.75 12.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 74.53 110.285 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 671' ' ' ASN . . . . . 0.641 ' ND2' ' CD2' ' A' ' 667' ' ' HIS . 1.1 m-80 -98.94 -46.8 5.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 75.54 109.341 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 672' ' ' LEU . . . . . 0.441 ' N ' ' CD2' ' A' ' 672' ' ' LEU . 0.7 OUTLIER -88.54 -172.77 3.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 74.25 109.3 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 1.7 m -136.16 42.03 2.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 63.11 109.981 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -73.44 -16.56 61.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 70.52 109.282 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 675' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -74.31 -60.84 2.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 75.14 109.324 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 676' ' ' SER . . . . . . . . . . . . . 4.0 m -173.39 174.84 3.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 74.35 110.024 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -115.24 -37.75 4.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 74.4 109.298 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 6.3 t70 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 74.24 109.324 -179.997 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 679' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 110.992 -0.843 . . . . 62.24 110.992 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 136.47 20.53 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.502 1.79 . . . . 75.15 111.023 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 24.8 m170 -91.36 -29.4 17.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 74.5 109.542 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 545' ' ' MET . . . . . . . . . . . . . 18.9 mmm 40.31 52.93 2.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 75.22 111.028 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 546' ' ' GLN . . . . . 0.522 ' C ' ' CD1' ' A' ' 547' ' ' PHE . 2.8 pt20 -115.3 138.84 50.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.15 . . . . 73.32 110.309 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 547' ' ' PHE . . . . . 0.582 ' CD1' ' N ' ' A' ' 547' ' ' PHE . 0.7 OUTLIER -145.56 103.03 4.27 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 74.3 110.96 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 548' ' ' PRO . . . . . 0.454 ' HB2' ' CG ' ' A' ' 550' ' ' GLU . 18.3 Cg_endo -75.03 141.05 26.07 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.444 1.76 . . . . 74.1 110.99 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 549' ' ' VAL . . . . . 0.409 HG23 ' N ' ' A' ' 550' ' ' GLU . 31.2 m -49.16 -42.57 15.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 74.14 109.305 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 550' ' ' GLU . . . . . 0.454 ' CG ' ' HB2' ' A' ' 548' ' ' PRO . 2.9 pt-20 -54.35 -33.88 59.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 74.52 110.272 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -82.49 -26.73 32.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 74.14 109.596 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 552' ' ' VAL . . . . . . . . . . . . . 45.9 t -87.42 121.49 38.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 73.33 109.303 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -110.85 145.03 38.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 72.24 110.278 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 1.3 mt -86.08 113.18 21.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 75.45 109.277 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 555' ' ' LEU . . . . . 0.476 HD23 ' CB ' ' A' ' 562' ' ' ALA . 0.2 OUTLIER -133.81 -179.85 5.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 74.51 109.265 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 556' ' ' CYS . . . . . 0.548 ' O ' ' N ' ' A' ' 560' ' ' MET . 5.1 t -107.26 102.49 11.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.008 -0.996 . . . . 52.23 110.895 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 557' ' ' ILE . . . . . 0.473 HG21 ' CG ' ' A' ' 648' ' ' GLN . 1.2 pt -35.62 -33.37 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 72.44 109.298 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 558' ' ' ASN . . . . . 0.501 ' N ' ' O ' ' A' ' 556' ' ' CYS . 2.9 m120 -76.38 -62.56 1.58 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 71.44 109.336 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 559' ' ' CYS . . . . . 0.45 ' O ' ' HB2' ' A' ' 560' ' ' MET . 11.6 m -76.04 -67.94 0.63 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.521 1.138 . . . . 64.15 108.278 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 560' ' ' MET . . . . . 0.548 ' N ' ' O ' ' A' ' 556' ' ' CYS . 24.9 mtm 76.57 48.55 0.07 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.474 1.109 . . . . 73.12 111.032 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 561' ' ' VAL . . . . . 0.492 ' O ' ' CB ' ' A' ' 562' ' ' ALA . 1.0 OUTLIER -113.59 -2.71 10.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 71.42 109.264 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 562' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 561' ' ' VAL . . . 83.39 108.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.145 . . . . 64.31 109.249 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 563' ' ' VAL . . . . . 0.549 HG12 ' CD1' ' A' ' 587' ' ' TYR . 1.6 m -105.92 -8.24 10.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 71.21 109.28 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -178.29 -159.93 23.73 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.494 1.121 . . . . 63.4 110.995 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 565' ' ' HIS . . . . . . . . . . . . . 70.7 m80 -126.97 145.21 50.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.537 0.786 . . . . 74.42 109.57 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . -75.8 0.54 61.42 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.498 1.124 . . . . 71.42 111.008 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 567' ' ' SER . . . . . 0.405 ' CB ' HG23 ' A' ' 549' ' ' VAL . 24.9 p -118.79 8.24 11.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 0.759 . . . . 75.22 110.011 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -111.96 -17.01 12.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 74.42 109.276 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 569' ' ' LEU . . . . . 0.484 ' C ' ' CD1' ' A' ' 569' ' ' LEU . 0.1 OUTLIER -87.51 163.84 16.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 75.02 109.284 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 570' ' ' ARG . . . . . 0.414 ' CD ' ' HA ' ' A' ' 662' ' ' PHE . 48.7 mtt-85 -147.19 177.63 9.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 72.55 110.282 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 571' ' ' LYS . . . . . 0.57 ' HD3' ' CE1' ' A' ' 577' ' ' HIS . 20.9 mtmt -108.1 119.87 40.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 73.51 109.263 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 572' ' ' VAL . . . . . 0.453 ' CG2' HG21 ' A' ' 578' ' ' VAL . 2.5 t -77.97 114.94 19.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 75.25 109.255 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 573' ' ' GLU . . . . . 0.446 ' CG ' ' O ' ' A' ' 572' ' ' VAL . 13.1 pt-20 45.69 34.6 1.82 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 73.42 110.341 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 46.02 41.36 10.78 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.518 1.136 . . . . 72.11 110.978 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 1.8 m -108.64 -53.97 2.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 0.736 . . . . 73.13 110.402 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 24.7 m170 -147.54 144.31 28.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 65.32 109.602 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 577' ' ' HIS . . . . . 0.726 ' CG ' ' CE3' ' A' ' 652' ' ' TRP . 16.3 m-70 -70.86 128.57 36.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 74.31 109.6 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 578' ' ' VAL . . . . . 0.453 HG21 ' CG2' ' A' ' 572' ' ' VAL . 15.6 m -137.11 128.05 40.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 70.24 109.275 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 579' ' ' ASN . . . . . 0.461 ' HA ' ' CB ' ' A' ' 569' ' ' LEU . 2.3 t-20 -91.83 125.39 36.52 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 75.15 109.302 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 580' ' ' VAL . . . . . 0.493 HG12 ' CE1' ' A' ' 667' ' ' HIS . 2.5 t -100.08 129.74 50.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 73.41 109.299 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 581' ' ' ASN . . . . . 0.428 ' ND2' ' HD2' ' A' ' 582' ' ' PRO . 3.7 t30 176.25 141.85 0.22 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 75.12 109.305 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 582' ' ' PRO . . . . . 0.428 ' HD2' ' ND2' ' A' ' 581' ' ' ASN . 18.3 Cg_endo -75.02 -42.49 0.5 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.466 1.771 . . . . 64.43 111.015 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 583' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -58.88 -16.66 18.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 74.31 109.29 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 584' ' ' PHE . . . . . 0.491 ' O ' ' CD2' ' A' ' 588' ' ' TYR . 1.6 t80 -63.51 -33.49 75.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.111 . . . . 75.3 110.955 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 47.8 t -60.11 -28.66 68.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 74.44 109.966 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -87.04 -7.6 57.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 64.43 109.299 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 587' ' ' TYR . . . . . 0.549 ' CD1' HG12 ' A' ' 563' ' ' VAL . 2.4 m-85 -102.01 0.43 35.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 73.33 110.977 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 588' ' ' TYR . . . . . 0.595 ' CD1' ' C ' ' A' ' 588' ' ' TYR . 0.9 OUTLIER -162.09 158.55 24.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 75.31 111.048 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 589' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -132.76 117.59 18.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 74.34 109.297 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 12.9 t -72.57 141.65 16.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.127 . . . . 75.43 109.31 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 8.9 t -50.43 155.32 1.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 72.32 109.962 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 61.6 mtm-85 -52.74 -64.79 0.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 72.34 110.263 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -41.35 150.47 0.33 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 74.31 109.305 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -72.08 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.505 1.792 . . . . 75.52 111.013 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 55.3 t -126.69 120.98 57.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 72.41 109.34 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 596' ' ' VAL . . . . . . . . . . . . . 2.2 t -135.82 91.31 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 74.33 109.3 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 597' ' ' ILE . . . . . 0.465 ' CG2' ' N ' ' A' ' 598' ' ' ASN . 3.3 mm -137.78 165.12 27.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.158 . . . . 73.1 109.301 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 598' ' ' ASN . . . . . 0.465 ' N ' ' CG2' ' A' ' 597' ' ' ILE . 3.1 p30 -96.11 -49.04 5.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 75.44 109.258 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 599' ' ' LYS . . . . . 0.556 ' HE3' ' CD2' ' A' ' 601' ' ' PHE . 0.0 OUTLIER -107.04 141.27 38.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 74.41 109.338 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 600' ' ' VAL . . . . . . . . . . . . . 16.7 t -104.49 152.86 6.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 72.12 109.309 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 601' ' ' PHE . . . . . 0.556 ' CD2' ' HE3' ' A' ' 599' ' ' LYS . 26.0 m-85 -119.88 167.3 12.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 74.12 111.042 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 602' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 603' ' ' ASP . 0.0 OUTLIER -106.96 -52.47 2.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 75.32 109.287 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 603' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 602' ' ' LYS . 37.1 m-20 -40.31 -41.88 1.43 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 72.32 109.307 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 604' ' ' TRP . . . . . 0.575 ' CE3' ' HB3' ' A' ' 623' ' ' MET . 0.5 OUTLIER -157.16 165.55 35.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 74.02 108.024 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 605' ' ' LYS . . . . . . . . . . . . . 14.9 ptmt -105.45 156.08 36.93 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 74.24 109.351 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 606' ' ' PRO . . . . . 0.437 ' CB ' HG13 ' A' ' 597' ' ' ILE . 18.3 Cg_endo -75.0 175.0 11.82 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.465 1.771 . . . . 74.14 110.967 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 607' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 622' ' ' GLN . . . -136.97 -95.87 0.42 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.474 1.109 . . . . 62.33 110.988 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 608' ' ' GLY . . . . . . . . . . . . . . . -158.34 147.71 15.88 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 111.023 -0.831 . . . . 72.15 111.023 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 47.4 t -56.91 123.59 8.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.447 0.734 . . . . 74.34 109.303 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 610' ' ' ILE . . . . . 0.466 HG13 ' CA ' ' A' ' 621' ' ' LEU . 0.9 OUTLIER -91.2 144.67 8.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 73.54 109.318 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.31 133.55 33.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 73.12 109.983 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 612' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 616' ' ' GLY . 21.8 t -60.43 116.28 4.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 75.53 108.268 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 12.5 ttt180 -71.25 -25.22 62.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 74.34 110.323 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 614' ' ' ASN . . . . . 0.408 ' ND2' HG21 ' A' ' 561' ' ' VAL . 95.8 m-20 -67.38 -32.31 73.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 71.34 109.253 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 615' ' ' CYS . . . . . 0.438 ' N ' ' SG ' ' A' ' 559' ' ' CYS . 0.8 OUTLIER -133.96 -73.76 0.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 72.34 108.266 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 616' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 153.58 -20.81 0.71 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.483 1.114 . . . . 75.03 110.986 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -42.27 104.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 0.79 . . . . 65.21 110.289 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 98.4 t -54.4 131.32 16.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 60.24 109.26 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 619' ' ' TRP . . . . . 0.6 ' CE2' ' CE ' ' A' ' 638' ' ' MET . 50.7 m0 -90.71 -53.26 4.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 74.54 108.0 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 620' ' ' GLY . . . . . . . . . . . . . . . 179.54 -107.44 0.22 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.548 1.155 . . . . 64.25 110.981 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 621' ' ' LEU . . . . . 0.536 ' C ' ' CD2' ' A' ' 621' ' ' LEU . 0.0 OUTLIER -157.34 161.38 39.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 0.761 . . . . 72.51 109.275 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 622' ' ' GLN . . . . . 0.416 ' O ' ' N ' ' A' ' 607' ' ' GLY . 0.1 OUTLIER -89.54 137.67 32.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 72.53 110.345 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 623' ' ' MET . . . . . 0.575 ' HB3' ' CE3' ' A' ' 604' ' ' TRP . 4.4 mmt -124.77 132.4 53.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 55.42 110.996 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 624' ' ' ILE . . . . . . . . . . . . . 5.4 mp -103.12 145.49 12.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 73.52 109.293 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 625' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -153.79 107.84 3.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 75.03 111.007 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 626' ' ' LYS . . . . . 0.554 ' HB2' ' CE1' ' A' ' 664' ' ' PHE . 1.2 mmpt? 69.73 18.89 7.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.145 . . . . 64.3 109.31 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 627' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.2 p 85.66 40.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 74.21 109.993 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 628' ' ' VAL . . . . . 0.448 HG13 ' CG ' ' A' ' 630' ' ' LEU . 47.3 t -129.68 113.12 26.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 74.22 109.256 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm -72.37 99.38 2.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 75.21 109.298 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 630' ' ' LEU . . . . . 0.448 ' CG ' HG13 ' A' ' 628' ' ' VAL . 17.4 mt -114.62 111.85 45.97 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 74.45 109.307 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 631' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 137.34 21.68 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.506 1.793 . . . . 74.31 111.012 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 632' ' ' VAL . . . . . 0.43 ' HA ' ' CG1' ' A' ' 578' ' ' VAL . 57.8 t -99.96 98.37 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 74.21 109.294 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 633' ' ' LEU . . . . . 0.502 ' CD1' ' N ' ' A' ' 633' ' ' LEU . 0.1 OUTLIER -99.42 171.75 7.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 74.31 109.31 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 634' ' ' LYS . . . . . 0.488 ' NZ ' ' NE ' ' A' ' 636' ' ' ARG . 0.5 OUTLIER -114.37 -170.87 1.81 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 73.41 109.269 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 635' ' ' VAL . . . . . 0.512 HG13 ' CE2' ' A' ' 652' ' ' TRP . 0.2 OUTLIER -106.24 -44.1 7.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.429 1.08 . . . . 74.12 109.298 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 636' ' ' ARG . . . . . 0.488 ' NE ' ' NZ ' ' A' ' 634' ' ' LYS . 3.3 ptt180 -62.84 -12.39 24.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 71.22 110.327 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 1.9 t -106.87 -17.58 14.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 75.42 110.001 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 638' ' ' MET . . . . . 0.6 ' CE ' ' CE2' ' A' ' 619' ' ' TRP . 34.4 mmt -106.99 134.24 50.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.148 . . . . 71.43 110.981 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 639' ' ' LEU . . . . . 0.411 HD21 ' NE ' ' A' ' 646' ' ' ARG . 12.1 tp -96.46 138.67 33.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 75.43 109.367 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 640' ' ' LEU . . . . . 0.525 HD22 ' CE2' ' A' ' 657' ' ' PHE . 20.4 mt -107.65 91.68 3.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.132 . . . . 75.42 109.319 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . 0.44 ' HB2' ' CD1' ' A' ' 555' ' ' LEU . 6.2 mt-10 -74.07 122.83 23.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 75.1 110.285 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 642' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -133.93 159.65 71.61 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 73.2 110.434 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 1.2 8.03 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.503 1.791 . . . . 75.51 111.027 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 644' ' ' GLN . . . . . 0.43 ' NE2' ' O ' ' A' ' 546' ' ' GLN . 13.2 mt-30 -111.05 -1.98 16.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 73.44 110.337 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 120.96 136.51 5.1 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.539 1.15 . . . . 72.21 110.999 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 646' ' ' ARG . . . . . 0.411 ' NE ' HD21 ' A' ' 639' ' ' LEU . 7.4 mtp180 -53.37 148.0 9.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 0.767 . . . . 73.32 110.289 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 647' ' ' ILE . . . . . . . . . . . . . 12.6 mt -136.42 121.43 26.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 74.24 109.324 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 648' ' ' GLN . . . . . 0.473 ' CG ' HG21 ' A' ' 557' ' ' ILE . 0.8 OUTLIER -114.75 110.1 19.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 75.45 110.281 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 649' ' ' ALA . . . . . . . . . . . . . . . -114.94 162.15 17.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 72.33 109.323 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 650' ' ' LYS . . . . . 0.455 ' C ' ' CG2' ' A' ' 635' ' ' VAL . 22.1 mttp -111.09 -14.06 13.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 64.34 109.331 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 651' ' ' LYS . . . . . 0.458 ' CB ' ' NH1' ' A' ' 654' ' ' ARG . 20.9 mmmt -121.88 128.38 51.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 74.32 109.292 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 652' ' ' TRP . . . . . 0.726 ' CE3' ' CG ' ' A' ' 577' ' ' HIS . 59.5 m95 -65.29 -19.91 66.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 72.31 108.03 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 2.7 t -66.48 -16.57 64.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 73.14 109.991 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 654' ' ' ARG . . . . . 0.458 ' NH1' ' CB ' ' A' ' 651' ' ' LYS . 10.0 mmt-85 -103.09 -25.31 13.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 73.34 110.287 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 655' ' ' VAL . . . . . 0.578 HG12 ' CD2' ' A' ' 657' ' ' PHE . 2.1 t -40.08 133.05 1.51 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 73.52 109.325 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 656' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -55.17 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.508 1.794 . . . . 74.24 111.007 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 657' ' ' PHE . . . . . 0.578 ' CD2' HG12 ' A' ' 655' ' ' VAL . 20.5 p90 -60.5 148.62 37.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 74.23 110.98 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.95 147.76 27.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 73.4 110.028 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 659' ' ' VAL . . . . . 0.52 HG21 ' CE1' ' A' ' 657' ' ' PHE . 1.5 t -125.59 103.55 28.36 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 71.53 109.261 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 660' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 147.01 33.38 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.506 1.792 . . . . 74.4 111.039 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -69.26 140.83 54.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 74.13 109.289 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 662' ' ' PHE . . . . . 0.458 ' CE2' ' ND1' ' A' ' 667' ' ' HIS . 5.2 t80 -64.74 123.09 18.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 73.54 111.005 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 663' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -100.12 116.97 33.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 72.12 109.325 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 664' ' ' PHE . . . . . 0.554 ' CE1' ' HB2' ' A' ' 626' ' ' LYS . 41.0 t80 -73.82 -14.34 61.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 74.13 110.982 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 8.8 mt -84.58 -41.85 16.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 72.13 109.319 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 666' ' ' GLN . . . . . 0.43 ' O ' ' N ' ' A' ' 670' ' ' GLU . 11.6 tt0 -82.88 -55.48 4.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 74.13 110.301 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 667' ' ' HIS . . . . . 0.493 ' CE1' HG12 ' A' ' 580' ' ' VAL . 6.3 t-80 -47.77 -36.75 12.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 73.53 109.587 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 668' ' ' CYS . . . . . . . . . . . . . 41.3 t -71.87 -46.13 58.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 70.21 108.311 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -68.89 -11.47 60.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 63.11 109.29 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 670' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 666' ' ' GLN . 9.4 mt-10 -84.49 -34.17 23.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 74.02 110.315 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -91.69 -26.53 18.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 63.4 109.319 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 3.2 mt -91.97 -56.11 3.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.569 1.168 . . . . 73.44 109.264 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 2.3 m 64.89 18.03 11.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 73.25 110.008 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -59.69 -24.45 63.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 73.41 109.304 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 675' ' ' LEU . . . . . 0.404 ' N ' HD13 ' A' ' 675' ' ' LEU . 0.0 OUTLIER -65.54 -72.44 0.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 73.54 109.257 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 676' ' ' SER . . . . . . . . . . . . . 69.0 m -166.7 153.69 9.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 52.33 110.009 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 677' ' ' LEU . . . . . 0.532 ' CD1' ' N ' ' A' ' 677' ' ' LEU . 1.8 mp -87.0 -66.53 0.9 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 74.1 109.292 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 16.4 t70 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 71.33 109.3 -179.988 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 679' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 111.017 -0.833 . . . . 73.03 111.017 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -176.46 2.9 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.469 1.773 . . . . 75.23 111.0 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 24.2 m-70 -104.67 132.08 51.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 72.51 109.637 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 545' ' ' MET . . . . . . . . . . . . . 30.4 mmm -92.8 49.08 1.41 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 73.23 111.0 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 546' ' ' GLN . . . . . 0.543 ' C ' ' CD1' ' A' ' 547' ' ' PHE . 0.1 OUTLIER -116.74 136.79 52.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 72.41 110.346 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 547' ' ' PHE . . . . . 0.543 ' CD1' ' C ' ' A' ' 546' ' ' GLN . 2.4 m-85 -151.66 103.4 2.88 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 75.21 111.001 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 548' ' ' PRO . . . . . 0.441 ' HB2' ' CG ' ' A' ' 550' ' ' GLU . 18.2 Cg_endo -75.04 139.24 23.95 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.462 1.769 . . . . 72.42 110.958 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 29.0 m -49.07 -41.93 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 73.24 109.344 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 550' ' ' GLU . . . . . 0.441 ' CG ' ' HB2' ' A' ' 548' ' ' PRO . 1.7 pt-20 -54.51 -34.39 61.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 72.13 110.253 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -83.86 -19.26 35.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 75.42 109.626 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 552' ' ' VAL . . . . . 0.465 HG13 ' CD2' ' A' ' 657' ' ' PHE . 41.3 t -93.46 129.77 43.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 74.1 109.323 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 553' ' ' GLN . . . . . 0.477 ' O ' ' CD1' ' A' ' 555' ' ' LEU . 12.8 tt0 -119.15 140.89 49.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 71.41 110.295 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -82.56 112.28 19.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 72.33 109.336 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 555' ' ' LEU . . . . . 0.5 HD21 ' CA ' ' A' ' 562' ' ' ALA . 0.3 OUTLIER -133.07 179.77 5.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 70.13 109.266 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 556' ' ' CYS . . . . . 0.533 ' O ' ' N ' ' A' ' 560' ' ' MET . 5.1 t -104.57 101.63 11.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 114.983 -1.008 . . . . 72.53 110.963 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 557' ' ' ILE . . . . . 0.512 ' C ' ' O ' ' A' ' 556' ' ' CYS . 1.5 pt -31.94 -37.95 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 74.25 109.27 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 558' ' ' ASN . . . . . 0.518 ' N ' ' O ' ' A' ' 556' ' ' CYS . 2.7 m120 -74.95 -62.04 1.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 75.45 109.261 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 559' ' ' CYS . . . . . 0.468 ' O ' ' HB2' ' A' ' 560' ' ' MET . 3.2 m -73.97 -70.74 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 74.42 108.338 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 560' ' ' MET . . . . . 0.533 ' N ' ' O ' ' A' ' 556' ' ' CYS . 28.5 mtm 77.47 41.63 0.14 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 72.23 111.022 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 561' ' ' VAL . . . . . 0.532 ' CG2' ' ND2' ' A' ' 614' ' ' ASN . 1.0 OUTLIER -105.8 -2.16 9.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 64.41 109.276 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 562' ' ' ALA . . . . . 0.512 ' CB ' ' O ' ' A' ' 561' ' ' VAL . . . 84.46 102.96 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 75.34 109.293 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 563' ' ' VAL . . . . . 0.44 HG13 ' CD1' ' A' ' 587' ' ' TYR . 0.9 OUTLIER -102.91 -6.4 9.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 73.04 109.298 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -177.45 -162.07 27.02 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.447 1.092 . . . . 75.31 111.011 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 565' ' ' HIS . . . . . . . . . . . . . 14.5 m-70 -126.41 148.64 49.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 0.765 . . . . 71.11 109.632 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . -73.21 -10.35 78.26 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.51 1.131 . . . . 74.55 110.983 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -113.83 8.93 17.49 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.485 0.756 . . . . 55.34 109.986 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -106.43 -18.41 13.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 74.14 109.317 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 569' ' ' LEU . . . . . 0.485 ' C ' ' CD1' ' A' ' 569' ' ' LEU . 0.1 OUTLIER -90.42 164.2 14.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 73.01 109.356 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 570' ' ' ARG . . . . . 0.473 ' CB ' ' HA ' ' A' ' 662' ' ' PHE . 13.7 mmt180 -142.29 -172.94 3.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 71.31 110.288 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 571' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 660' ' ' PRO . 17.0 ttmt -116.93 118.81 33.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 75.35 109.34 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 572' ' ' VAL . . . . . 0.509 ' CG2' ' CG2' ' A' ' 578' ' ' VAL . 2.4 t -77.78 112.73 16.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 71.01 109.251 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 573' ' ' GLU . . . . . 0.487 ' CG ' ' O ' ' A' ' 572' ' ' VAL . 9.8 pt-20 46.52 34.01 2.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 72.32 110.332 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 44.49 39.63 5.88 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.5 1.125 . . . . 63.34 110.995 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 575' ' ' THR . . . . . 0.406 ' CB ' ' HG3' ' A' ' 573' ' ' GLU . 11.1 m -109.9 -50.64 2.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 0.745 . . . . 74.54 110.411 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 33.8 m80 -149.38 131.62 15.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 74.34 109.612 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 577' ' ' HIS . . . . . 0.712 ' CD2' ' CD2' ' A' ' 652' ' ' TRP . 11.1 m-70 -57.71 143.36 42.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 73.15 109.618 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 578' ' ' VAL . . . . . 0.509 ' CG2' ' CG2' ' A' ' 572' ' ' VAL . 15.6 m -149.67 130.98 4.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 73.31 109.324 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 579' ' ' ASN . . . . . 0.461 ' HA ' ' CB ' ' A' ' 569' ' ' LEU . 6.8 t-20 -95.44 129.61 42.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 64.41 109.34 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 580' ' ' VAL . . . . . 0.438 HG13 ' CD2' ' A' ' 630' ' ' LEU . 2.5 t -107.68 130.3 60.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 75.43 109.283 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 581' ' ' ASN . . . . . 0.431 ' ND2' ' HD2' ' A' ' 582' ' ' PRO . 4.3 t30 176.29 142.66 0.23 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 71.2 109.32 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 582' ' ' PRO . . . . . 0.431 ' HD2' ' ND2' ' A' ' 581' ' ' ASN . 18.2 Cg_endo -75.04 -42.52 0.49 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.503 1.791 . . . . 71.34 110.967 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 583' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -59.43 -16.32 22.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 75.44 109.292 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 584' ' ' PHE . . . . . 0.523 ' O ' ' CD2' ' A' ' 588' ' ' TYR . 1.5 t80 -63.37 -36.13 82.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 74.23 111.014 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 585' ' ' SER . . . . . 0.416 ' HA ' ' CE2' ' A' ' 588' ' ' TYR . 5.3 t -58.89 -27.52 65.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 73.44 110.003 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -87.38 -11.97 47.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 72.31 109.298 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 587' ' ' TYR . . . . . 0.44 ' CD1' HG13 ' A' ' 563' ' ' VAL . 2.4 m-85 -97.56 7.22 46.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 75.23 110.962 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 588' ' ' TYR . . . . . 0.614 ' CD1' ' CG2' ' A' ' 610' ' ' ILE . 1.2 p90 -168.51 159.1 10.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 74.13 110.978 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 589' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -130.38 130.74 44.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 72.31 109.32 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 590' ' ' VAL . . . . . 0.417 ' CG1' ' HA3' ' A' ' 608' ' ' GLY . 21.3 t -72.46 134.46 29.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 75.53 109.306 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 591' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 592' ' ' ARG . 98.8 p -60.28 138.99 57.84 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.123 . . . . 64.11 109.991 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 592' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 591' ' ' SER . 0.0 OUTLIER -35.93 -56.65 0.71 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 1.11 . . . . 73.14 110.287 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -42.85 150.29 0.45 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 72.22 109.308 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -90.25 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.496 1.787 . . . . 62.2 110.976 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 14.5 t -104.35 130.54 54.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 74.04 109.283 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 596' ' ' VAL . . . . . . . . . . . . . 2.0 t -135.96 82.27 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 74.15 109.331 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 597' ' ' ILE . . . . . 0.481 ' CG2' ' N ' ' A' ' 598' ' ' ASN . 1.3 mt -144.55 162.75 14.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 72.1 109.349 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 598' ' ' ASN . . . . . 0.481 ' N ' ' CG2' ' A' ' 597' ' ' ILE . 26.6 m120 -52.97 -59.64 4.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 71.12 109.314 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 599' ' ' LYS . . . . . 0.552 ' HD3' ' CZ ' ' A' ' 601' ' ' PHE . 0.0 OUTLIER -147.67 176.86 9.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 75.41 109.276 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 600' ' ' VAL . . . . . 0.402 ' N ' ' HG2' ' A' ' 599' ' ' LYS . 2.2 t -94.84 152.47 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.108 . . . . 71.24 109.324 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 601' ' ' PHE . . . . . 0.552 ' CZ ' ' HD3' ' A' ' 599' ' ' LYS . 21.6 m-85 -125.43 168.19 13.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 73.44 110.996 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 5.0 mptt -97.07 -52.03 4.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 73.31 109.296 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -41.23 -38.37 1.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.57 1.169 . . . . 73.21 109.301 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 604' ' ' TRP . . . . . 0.603 ' CZ2' ' SD ' ' A' ' 623' ' ' MET . 0.5 OUTLIER -157.33 163.39 38.71 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.122 . . . . 74.52 108.009 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 605' ' ' LYS . . . . . 0.532 ' NZ ' ' CD1' ' A' ' 624' ' ' ILE . 7.4 ptmm? -109.83 157.49 37.53 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 75.32 109.297 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 606' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 176.24 10.17 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.473 1.775 . . . . 74.33 110.988 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 607' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 622' ' ' GLN . . . -141.0 -108.78 0.74 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.493 1.121 . . . . 73.3 110.998 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 608' ' ' GLY . . . . . 0.417 ' HA3' ' CG1' ' A' ' 590' ' ' VAL . . . -146.75 149.8 21.99 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.961 -0.856 . . . . 51.33 110.961 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 11.8 t -56.72 126.12 13.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.457 0.74 . . . . 64.01 109.332 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 610' ' ' ILE . . . . . 0.614 ' CG2' ' CD1' ' A' ' 588' ' ' TYR . 0.9 OUTLIER -96.23 157.5 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 74.31 109.332 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -158.35 119.56 3.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 64.43 109.996 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 612' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 616' ' ' GLY . 11.8 t -44.74 117.92 1.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 74.42 108.328 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 2.4 ttt-85 -71.16 -24.86 62.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 74.01 110.303 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 614' ' ' ASN . . . . . 0.532 ' ND2' ' CG2' ' A' ' 561' ' ' VAL . 69.3 m-20 -67.89 -37.53 81.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 71.34 109.283 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 615' ' ' CYS . . . . . 0.441 ' SG ' ' N ' ' A' ' 559' ' ' CYS . 1.4 m -123.11 -73.86 0.63 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 72.43 108.317 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 616' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 148.26 -18.22 1.35 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.542 1.151 . . . . 74.25 110.991 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -43.04 103.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 0.756 . . . . 73.31 110.338 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 24.9 t -49.53 120.99 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 73.11 109.305 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 619' ' ' TRP . . . . . 0.543 ' CE2' ' CE ' ' A' ' 638' ' ' MET . 38.7 m0 -80.74 -43.08 20.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 74.41 107.998 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 620' ' ' GLY . . . . . . . . . . . . . . . 161.01 -100.68 0.19 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.475 1.109 . . . . 52.51 110.999 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 621' ' ' LEU . . . . . 0.463 ' CA ' HG13 ' A' ' 610' ' ' ILE . 0.0 OUTLIER -160.77 159.07 29.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 0.788 . . . . 75.4 109.258 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 622' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 607' ' ' GLY . 0.3 OUTLIER -93.16 147.16 23.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 75.22 110.29 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 623' ' ' MET . . . . . 0.603 ' SD ' ' CZ2' ' A' ' 604' ' ' TRP . 12.1 mtp -132.9 139.7 47.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 73.5 110.951 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 624' ' ' ILE . . . . . 0.532 ' CD1' ' NZ ' ' A' ' 605' ' ' LYS . 4.9 mp -108.1 147.05 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 73.23 109.308 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 625' ' ' TYR . . . . . 0.412 ' N ' HG22 ' A' ' 624' ' ' ILE . 10.4 t80 -150.65 120.48 7.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 72.41 111.008 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 626' ' ' LYS . . . . . 0.521 ' O ' ' CB ' ' A' ' 627' ' ' SER . 0.0 OUTLIER 58.54 17.71 5.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 75.42 109.269 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 627' ' ' SER . . . . . 0.521 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.2 p 86.42 38.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 74.15 109.959 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 628' ' ' VAL . . . . . 0.459 HG12 ' CG ' ' A' ' 630' ' ' LEU . 46.8 t -127.33 109.27 20.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.12 . . . . 72.55 109.334 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 3.0 mmmm -64.07 99.19 0.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 65.04 109.309 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 630' ' ' LEU . . . . . 0.542 HD12 ' CE2' ' A' ' 662' ' ' PHE . 25.9 mt -118.47 111.54 38.02 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 75.25 109.319 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 631' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 165.95 30.24 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.475 1.776 . . . . 75.43 111.027 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 632' ' ' VAL . . . . . 0.458 HG21 ' CG1' ' A' ' 578' ' ' VAL . 15.7 t -131.36 102.37 6.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 73.13 109.332 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 633' ' ' LEU . . . . . 0.558 ' CD1' ' N ' ' A' ' 633' ' ' LEU . 0.0 OUTLIER -102.85 171.21 7.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.47 1.106 . . . . 75.34 109.327 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 634' ' ' LYS . . . . . 0.487 ' CD ' ' O ' ' A' ' 619' ' ' TRP . 4.8 mtpt -99.31 -172.54 2.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 72.3 109.317 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 635' ' ' VAL . . . . . 0.517 ' HB ' ' CE2' ' A' ' 652' ' ' TRP . 9.0 p -109.61 -19.86 6.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 71.2 109.319 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 636' ' ' ARG . . . . . 0.402 ' O ' ' CD1' ' A' ' 557' ' ' ILE . 0.8 OUTLIER -84.65 -29.34 25.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 73.15 110.284 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 1.9 t -88.07 -9.39 53.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 71.2 110.022 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 638' ' ' MET . . . . . 0.543 ' CE ' ' CE2' ' A' ' 619' ' ' TRP . 32.7 mmt -109.95 127.95 55.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 74.5 111.015 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 639' ' ' LEU . . . . . . . . . . . . . 6.2 tp -96.13 150.09 20.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 74.02 109.333 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 640' ' ' LEU . . . . . 0.509 HD21 ' CE2' ' A' ' 657' ' ' PHE . 13.8 mt -117.23 100.23 7.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 73.01 109.266 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -74.09 129.55 38.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 73.43 110.308 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 642' ' ' THR . . . . . . . . . . . . . 7.6 p -137.93 158.86 70.58 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 75.13 110.423 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -18.18 18.92 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.517 1.798 . . . . 75.1 111.016 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 644' ' ' GLN . . . . . 0.437 ' NE2' ' O ' ' A' ' 546' ' ' GLN . 5.9 mt-30 -91.41 -5.79 53.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 72.4 110.311 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 125.06 126.63 3.04 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.532 1.145 . . . . 60.32 111.0 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 646' ' ' ARG . . . . . 0.437 ' HB2' ' NH1' ' A' ' 646' ' ' ARG . 3.0 mtp-105 -42.1 151.61 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 0.77 . . . . 71.01 110.306 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 647' ' ' ILE . . . . . . . . . . . . . 10.6 mt -136.27 137.45 48.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 71.23 109.302 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 648' ' ' GLN . . . . . 0.469 ' CG ' HG22 ' A' ' 557' ' ' ILE . 0.2 OUTLIER -135.57 112.63 10.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 71.42 110.285 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 649' ' ' ALA . . . . . 0.459 ' CB ' ' HB2' ' A' ' 654' ' ' ARG . . . -106.34 177.17 4.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.555 1.16 . . . . 74.43 109.282 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 35.6 mttt -110.85 -18.55 13.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 73.11 109.293 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 651' ' ' LYS . . . . . 0.424 ' N ' HG13 ' A' ' 635' ' ' VAL . 0.0 OUTLIER -137.19 142.73 42.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 75.44 109.288 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 652' ' ' TRP . . . . . 0.712 ' CD2' ' CD2' ' A' ' 577' ' ' HIS . 36.2 m95 -59.61 -17.98 37.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 75.42 107.986 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 4.9 m -62.66 -13.14 28.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 63.45 109.946 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 654' ' ' ARG . . . . . 0.459 ' HB2' ' CB ' ' A' ' 649' ' ' ALA . 16.1 mmt-85 -107.31 -25.02 11.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 63.23 110.271 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 655' ' ' VAL . . . . . 0.583 HG11 ' CZ ' ' A' ' 657' ' ' PHE . 2.3 t -41.64 125.66 2.41 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 74.45 109.321 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 656' ' ' PRO . . . . . 0.468 ' HD2' ' CD1' ' A' ' 640' ' ' LEU . 18.5 Cg_endo -74.95 -50.36 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.516 1.798 . . . . 74.55 111.028 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 657' ' ' PHE . . . . . 0.583 ' CZ ' HG11 ' A' ' 655' ' ' VAL . 18.2 p90 -63.01 149.09 45.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 54.25 111.002 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -84.1 145.57 28.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 72.12 109.999 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 659' ' ' VAL . . . . . 0.527 HG22 ' CE1' ' A' ' 657' ' ' PHE . 1.8 t -121.76 101.61 42.47 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 73.43 109.27 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 660' ' ' PRO . . . . . 0.426 ' O ' ' N ' ' A' ' 571' ' ' LYS . 18.3 Cg_endo -75.0 149.87 37.3 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.52 1.8 . . . . 74.24 111.015 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -61.28 145.24 52.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 60.45 109.341 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 662' ' ' PHE . . . . . 0.765 ' CE2' ' CD2' ' A' ' 667' ' ' HIS . 24.7 t80 -58.25 109.41 0.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 75.12 110.999 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 663' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -69.36 100.46 1.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 73.43 109.28 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 664' ' ' PHE . . . . . 0.504 ' CE1' ' SG ' ' A' ' 668' ' ' CYS . 32.6 t80 -66.62 -26.24 66.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 72.43 110.988 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 4.0 mt -71.51 -56.1 6.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.152 . . . . 72.21 109.338 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 12.2 tp60 -61.31 -51.97 66.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.572 1.17 . . . . 75.34 110.305 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 667' ' ' HIS . . . . . 0.765 ' CD2' ' CE2' ' A' ' 662' ' ' PHE . 60.3 m-70 -52.87 -37.2 60.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 72.22 109.571 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 668' ' ' CYS . . . . . 0.504 ' SG ' ' CE1' ' A' ' 664' ' ' PHE . 11.6 m -74.59 -31.24 61.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.113 . . . . 72.11 108.301 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 669' ' ' ALA . . . . . 0.45 ' O ' ' CD2' ' A' ' 675' ' ' LEU . . . -73.62 -11.57 60.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 62.45 109.336 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 670' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -115.74 -9.45 11.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 71.23 110.3 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -101.64 -16.82 16.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 74.53 109.324 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 14.2 mt -94.86 -176.26 3.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 72.35 109.326 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 1.9 m -101.77 9.81 40.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 75.14 110.008 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -48.27 -28.2 2.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 73.11 109.303 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 675' ' ' LEU . . . . . 0.45 ' CD2' ' O ' ' A' ' 669' ' ' ALA . 1.0 OUTLIER -73.66 -68.41 0.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 74.42 109.346 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 676' ' ' SER . . . . . . . . . . . . . 98.0 p -150.09 142.08 23.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 75.4 110.029 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 15.6 mt -81.48 -50.5 9.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 71.34 109.314 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 5.4 t70 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 73.11 109.282 179.986 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 679' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 111.015 -0.834 . . . . 73.25 111.015 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 148.01 34.56 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.533 1.807 . . . . 72.34 111.034 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 16.9 m80 -107.22 159.6 16.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 74.42 109.627 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 545' ' ' MET . . . . . . . . . . . . . 37.6 mtp -77.9 78.63 4.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 74.32 110.974 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 546' ' ' GLN . . . . . 0.54 ' C ' ' CD1' ' A' ' 547' ' ' PHE . 9.7 mt-30 -132.88 132.59 42.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 75.41 110.254 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 547' ' ' PHE . . . . . 0.623 ' CD1' ' N ' ' A' ' 547' ' ' PHE . 0.1 OUTLIER -149.18 104.78 3.34 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 75.35 110.982 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 548' ' ' PRO . . . . . 0.439 ' HB2' ' CG ' ' A' ' 550' ' ' GLU . 18.3 Cg_endo -74.95 137.74 22.24 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.445 1.761 . . . . 75.24 111.035 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 35.5 m -48.59 -40.09 10.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.088 . . . . 71.14 109.305 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 550' ' ' GLU . . . . . 0.439 ' CG ' ' HB2' ' A' ' 548' ' ' PRO . 1.9 pt-20 -58.06 -34.76 70.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 74.42 110.292 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 8.8 m170 -82.96 -16.1 48.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 73.24 109.602 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 552' ' ' VAL . . . . . 0.462 ' CG2' ' HB3' ' A' ' 657' ' ' PHE . 70.5 t -95.09 130.96 43.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 74.21 109.283 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 553' ' ' GLN . . . . . 0.41 ' HG3' ' O ' ' A' ' 564' ' ' GLY . 7.8 tt0 -118.71 151.27 38.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 75.45 110.332 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 1.3 mt -93.91 114.61 26.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 72.43 109.343 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 555' ' ' LEU . . . . . 0.524 HD22 ' CA ' ' A' ' 562' ' ' ALA . 0.2 OUTLIER -134.16 177.16 7.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 74.04 109.296 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 556' ' ' CYS . . . . . 0.539 ' O ' ' N ' ' A' ' 560' ' ' MET . 5.4 t -104.98 103.0 12.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 114.999 -1.001 . . . . 52.43 110.904 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 557' ' ' ILE . . . . . 0.478 ' C ' ' O ' ' A' ' 556' ' ' CYS . 1.4 pt -34.87 -34.38 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.117 . . . . 73.2 109.31 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 558' ' ' ASN . . . . . 0.503 ' N ' ' O ' ' A' ' 556' ' ' CYS . 3.1 m120 -76.4 -62.58 1.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 75.52 109.312 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 559' ' ' CYS . . . . . 0.455 ' O ' ' HB2' ' A' ' 560' ' ' MET . 3.6 m -75.42 -68.97 0.51 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 65.22 108.283 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 560' ' ' MET . . . . . 0.539 ' N ' ' O ' ' A' ' 556' ' ' CYS . 26.7 mtm 77.23 47.18 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 65.14 111.032 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 561' ' ' VAL . . . . . 0.459 ' O ' ' CB ' ' A' ' 562' ' ' ALA . 1.0 OUTLIER -113.33 -0.25 9.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 65.33 109.325 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 562' ' ' ALA . . . . . 0.524 ' CA ' HD22 ' A' ' 555' ' ' LEU . . . 81.65 102.16 0.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.543 1.152 . . . . 73.34 109.27 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 2.2 m -99.88 -4.09 9.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 75.21 109.275 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 564' ' ' GLY . . . . . 0.41 ' O ' ' HG3' ' A' ' 553' ' ' GLN . . . 177.88 -159.08 24.59 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.521 1.138 . . . . 74.23 111.007 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 565' ' ' HIS . . . . . . . . . . . . . 61.9 m80 -126.45 149.18 49.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 0.766 . . . . 74.43 109.587 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 566' ' ' GLY . . . . . 0.418 ' O ' ' CD1' ' A' ' 569' ' ' LEU . . . -72.85 -18.01 78.69 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.462 1.101 . . . . 72.04 110.973 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 8.9 t -101.54 13.26 35.5 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 0.763 . . . . 70.4 110.04 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -115.03 -9.83 12.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 65.3 109.287 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 569' ' ' LEU . . . . . 0.47 ' CB ' ' HA ' ' A' ' 579' ' ' ASN . 0.2 OUTLIER -89.99 165.17 14.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 74.24 109.281 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 570' ' ' ARG . . . . . . . . . . . . . 26.1 mmt180 -142.21 -172.76 3.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 73.42 110.363 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 571' ' ' LYS . . . . . 0.573 ' HE2' ' CE1' ' A' ' 577' ' ' HIS . 17.0 ttmt -129.41 116.05 18.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.553 1.158 . . . . 72.32 109.298 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 572' ' ' VAL . . . . . 0.537 HG11 ' CE3' ' A' ' 604' ' ' TRP . 2.3 t -77.83 110.07 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 75.41 109.357 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 573' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 38.76 39.43 0.34 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 73.15 110.297 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 41.73 49.2 5.04 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.437 1.086 . . . . 64.41 111.016 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 575' ' ' THR . . . . . 0.42 ' O ' ' CG ' ' A' ' 576' ' ' HIS . 1.2 m -111.71 -49.1 3.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 0.769 . . . . 72.21 110.389 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 576' ' ' HIS . . . . . 0.42 ' CG ' ' O ' ' A' ' 575' ' ' THR . 37.3 m80 -157.05 111.75 2.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 73.31 109.556 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 577' ' ' HIS . . . . . 0.78 ' CD2' ' CE3' ' A' ' 652' ' ' TRP . 4.5 m80 -39.92 120.62 1.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 72.12 109.601 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 578' ' ' VAL . . . . . 0.495 ' CG1' ' O ' ' A' ' 631' ' ' PRO . 15.1 m -121.97 108.41 21.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 70.2 109.253 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 579' ' ' ASN . . . . . 0.47 ' HA ' ' CB ' ' A' ' 569' ' ' LEU . 1.2 t-20 -79.7 108.35 13.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 64.42 109.309 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 580' ' ' VAL . . . . . 0.485 HG13 ' CE1' ' A' ' 667' ' ' HIS . 3.3 t -82.66 145.31 8.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 73.15 109.275 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 581' ' ' ASN . . . . . 0.481 ' OD1' ' N ' ' A' ' 584' ' ' PHE . 11.3 t-20 170.71 124.66 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 64.31 109.297 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 582' ' ' PRO . . . . . 0.431 ' HD2' ' ND2' ' A' ' 581' ' ' ASN . 18.4 Cg_endo -75.02 -24.55 12.68 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.518 1.799 . . . . 75.12 111.006 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 583' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -85.72 9.08 17.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 72.01 109.326 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 584' ' ' PHE . . . . . 0.797 ' CZ ' ' CZ3' ' A' ' 619' ' ' TRP . 1.4 t80 -84.64 -24.15 29.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.547 1.154 . . . . 74.11 111.025 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 9.1 p -61.0 -28.69 69.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 61.15 110.008 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -87.24 -8.63 56.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 73.25 109.295 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 587' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -101.86 4.92 40.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 74.03 110.963 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 588' ' ' TYR . . . . . 0.597 ' CD2' ' O ' ' A' ' 584' ' ' PHE . 1.3 p90 -169.82 158.48 7.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 73.14 110.988 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 589' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 -129.87 132.03 46.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 74.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 590' ' ' VAL . . . . . 0.446 ' CG1' ' HA3' ' A' ' 608' ' ' GLY . 8.1 t -72.45 134.74 29.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 75.14 109.292 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 31.2 t -56.36 174.7 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 71.42 109.96 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 56.1 ttm-85 -74.44 -41.04 61.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.148 . . . . 75.22 110.299 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.21 147.52 90.87 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 71.31 109.316 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -89.72 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.513 1.796 . . . . 52.13 110.979 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 55.0 t -102.66 129.03 54.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 74.32 109.292 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 596' ' ' VAL . . . . . . . . . . . . . 2.7 t -136.92 77.5 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 74.55 109.342 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 597' ' ' ILE . . . . . 0.462 ' CG2' ' N ' ' A' ' 598' ' ' ASN . 2.1 mt -147.51 161.58 7.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 73.35 109.28 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 598' ' ' ASN . . . . . 0.462 ' N ' ' CG2' ' A' ' 597' ' ' ILE . 35.1 t-20 -44.45 -62.13 1.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 71.53 109.33 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 599' ' ' LYS . . . . . 0.413 ' HG2' ' N ' ' A' ' 600' ' ' VAL . 0.0 OUTLIER -147.27 177.57 9.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 74.11 109.311 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 600' ' ' VAL . . . . . 0.413 ' N ' ' HG2' ' A' ' 599' ' ' LYS . 3.5 t -101.13 142.2 16.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 73.14 109.298 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 601' ' ' PHE . . . . . 0.401 ' CD1' ' N ' ' A' ' 601' ' ' PHE . 13.9 m-85 -110.12 164.46 12.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 74.31 111.02 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 9.1 mptt -88.13 -44.83 10.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 64.42 109.263 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -42.31 -41.28 2.74 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.105 . . . . 74.33 109.276 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 604' ' ' TRP . . . . . 0.537 ' CE3' HG11 ' A' ' 572' ' ' VAL . 0.5 OUTLIER -157.14 165.65 35.41 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.979 -1.119 . . . . 75.44 107.979 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 605' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.16 153.28 47.29 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 74.45 109.285 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 606' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 161.44 38.8 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.492 1.785 . . . . 73.33 111.036 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 607' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 622' ' ' GLN . . . -127.39 -87.75 0.6 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.517 1.136 . . . . 63.04 110.981 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 608' ' ' GLY . . . . . 0.446 ' HA3' ' CG1' ' A' ' 590' ' ' VAL . . . -157.52 144.46 10.61 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.994 -0.842 . . . . 74.14 110.994 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 45.8 t -55.41 129.33 16.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 72.55 109.319 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 610' ' ' ILE . . . . . 0.593 ' CG2' ' CD1' ' A' ' 588' ' ' TYR . 0.8 OUTLIER -95.84 146.93 6.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.508 1.13 . . . . 71.12 109.304 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -146.08 122.86 11.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.095 . . . . 74.41 109.986 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 612' ' ' CYS . . . . . 0.456 ' O ' ' N ' ' A' ' 616' ' ' GLY . 17.8 t -49.57 120.09 3.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.1 . . . . 63.11 108.29 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 11.4 ttt-85 -71.79 -24.73 61.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 75.34 110.309 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 614' ' ' ASN . . . . . 0.404 ' ND2' HG22 ' A' ' 561' ' ' VAL . 91.5 m-20 -69.29 -32.03 70.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 75.32 109.304 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 615' ' ' CYS . . . . . 0.443 ' SG ' ' N ' ' A' ' 559' ' ' CYS . 0.8 OUTLIER -130.35 -74.76 0.54 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 63.25 108.299 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 616' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 149.0 -18.63 1.22 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.566 1.166 . . . . 75.41 111.004 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -42.79 102.38 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 0.777 . . . . 73.55 110.295 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 92.2 t -49.62 112.43 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 73.23 109.31 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 619' ' ' TRP . . . . . 0.797 ' CZ3' ' CZ ' ' A' ' 584' ' ' PHE . 30.3 m0 -69.16 -54.45 14.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 72.33 107.973 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 620' ' ' GLY . . . . . . . . . . . . . . . -179.62 -102.94 0.17 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.518 1.136 . . . . 74.24 110.986 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 621' ' ' LEU . . . . . 0.499 ' C ' ' CD2' ' A' ' 621' ' ' LEU . 0.0 OUTLIER -163.46 154.06 16.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 0.771 . . . . 74.52 109.315 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 622' ' ' GLN . . . . . 0.497 ' O ' ' CD2' ' A' ' 621' ' ' LEU . 0.0 OUTLIER -85.58 132.82 34.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 72.42 110.313 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 623' ' ' MET . . . . . . . . . . . . . 3.2 mmt -124.37 149.28 46.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 73.13 110.978 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 624' ' ' ILE . . . . . 0.46 ' CD1' ' N ' ' A' ' 624' ' ' ILE . 3.4 mp -119.38 132.83 68.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 72.33 109.302 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 625' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -135.71 124.9 24.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 73.54 110.984 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 626' ' ' LYS . . . . . 0.496 ' O ' ' CB ' ' A' ' 627' ' ' SER . 0.1 OUTLIER 55.71 19.27 3.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.435 1.084 . . . . 73.43 109.271 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 627' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.1 p 85.17 38.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 72.53 109.975 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 628' ' ' VAL . . . . . 0.462 HG13 ' CG ' ' A' ' 630' ' ' LEU . 53.2 t -126.68 122.61 61.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 72.1 109.263 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 8.1 mmmm -71.79 96.52 1.65 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 75.25 109.288 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 630' ' ' LEU . . . . . 0.531 HD12 ' CD2' ' A' ' 662' ' ' PHE . 20.7 mt -121.58 111.3 33.2 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 73.51 109.3 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 631' ' ' PRO . . . . . 0.495 ' O ' ' CG1' ' A' ' 578' ' ' VAL . 18.4 Cg_endo -74.95 156.38 43.23 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.497 1.788 . . . . 75.42 111.028 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 632' ' ' VAL . . . . . 0.451 HG23 ' CH2' ' A' ' 604' ' ' TRP . 84.0 t -113.13 105.27 18.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 74.43 109.322 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 633' ' ' LEU . . . . . 0.579 ' N ' ' CD2' ' A' ' 633' ' ' LEU . 0.4 OUTLIER -109.6 171.65 7.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 75.51 109.325 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 634' ' ' LYS . . . . . 0.472 ' C ' ' CZ2' ' A' ' 652' ' ' TRP . 0.0 OUTLIER -112.7 -178.17 3.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 73.45 109.274 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 635' ' ' VAL . . . . . 0.518 ' HB ' ' CD2' ' A' ' 652' ' ' TRP . 5.9 p -107.56 5.25 9.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.113 . . . . 75.44 109.239 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 636' ' ' ARG . . . . . 0.466 ' HG3' ' CE ' ' A' ' 634' ' ' LYS . 3.6 ptt180 -111.85 1.65 16.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 62.34 110.294 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 637' ' ' SER . . . . . 0.416 ' OG ' ' NZ ' ' A' ' 634' ' ' LYS . 58.9 m -120.32 -4.79 9.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 71.2 109.979 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 638' ' ' MET . . . . . 0.557 ' CE ' ' NE1' ' A' ' 619' ' ' TRP . 30.1 mmt -114.55 148.51 37.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 61.54 111.017 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 639' ' ' LEU . . . . . 0.46 ' CD2' ' HD3' ' A' ' 646' ' ' ARG . 4.1 tp -114.23 129.97 56.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 74.52 109.303 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 640' ' ' LEU . . . . . 0.572 HD22 ' CE2' ' A' ' 657' ' ' PHE . 12.8 mt -99.38 99.95 10.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 72.1 109.295 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . 0.46 ' CG ' HD12 ' A' ' 555' ' ' LEU . 5.3 mt-10 -73.74 120.5 19.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.103 . . . . 74.24 110.257 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 642' ' ' THR . . . . . 0.421 HG22 ' CD1' ' A' ' 647' ' ' ILE . 0.3 OUTLIER -128.56 160.11 64.35 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 55.42 110.424 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 3.29 5.77 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.48 1.779 . . . . 75.1 110.976 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -115.62 -0.76 12.9 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.548 1.155 . . . . 73.35 110.313 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 118.65 129.56 4.02 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.551 1.157 . . . . 65.24 110.955 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 646' ' ' ARG . . . . . 0.46 ' HD3' ' CD2' ' A' ' 639' ' ' LEU . 0.1 OUTLIER -45.13 142.61 1.88 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 0.766 . . . . 73.15 110.3 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 647' ' ' ILE . . . . . 0.421 ' CD1' HG22 ' A' ' 642' ' ' THR . 13.3 mt -122.1 136.75 57.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 75.51 109.312 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 648' ' ' GLN . . . . . 0.451 ' CG ' HG23 ' A' ' 557' ' ' ILE . 0.2 OUTLIER -134.07 112.52 11.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 72.23 110.284 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 649' ' ' ALA . . . . . 0.434 ' CB ' ' HB2' ' A' ' 654' ' ' ARG . . . -111.53 179.85 3.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 72.44 109.295 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 650' ' ' LYS . . . . . 0.416 ' C ' ' CG1' ' A' ' 635' ' ' VAL . 30.3 mttt -112.02 -23.96 10.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 73.34 109.288 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 651' ' ' LYS . . . . . 0.458 ' C ' ' CG1' ' A' ' 635' ' ' VAL . 0.6 OUTLIER -124.85 143.79 50.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 73.53 109.313 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 652' ' ' TRP . . . . . 0.78 ' CE3' ' CD2' ' A' ' 577' ' ' HIS . 72.6 m95 -64.54 -16.05 61.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.167 . . . . 70.01 107.989 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 4.7 m -65.43 -10.86 37.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 71.52 109.967 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 654' ' ' ARG . . . . . 0.434 ' HB2' ' CB ' ' A' ' 649' ' ' ALA . 11.0 mmt180 -103.48 -27.35 12.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 73.03 110.334 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 655' ' ' VAL . . . . . 0.581 HG11 ' CZ ' ' A' ' 657' ' ' PHE . 2.4 t -40.31 123.59 1.73 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.132 . . . . 73.31 109.272 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 656' ' ' PRO . . . . . 0.468 ' HD2' ' CD1' ' A' ' 640' ' ' LEU . 18.3 Cg_endo -74.98 -48.66 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.479 1.779 . . . . 74.44 111.014 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 657' ' ' PHE . . . . . 0.633 ' CE1' ' CG2' ' A' ' 659' ' ' VAL . 19.0 p90 -64.15 148.25 50.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 74.04 111.004 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.11 138.27 39.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 74.32 110.012 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 659' ' ' VAL . . . . . 0.633 ' CG2' ' CE1' ' A' ' 657' ' ' PHE . 2.5 t -118.57 99.77 51.37 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 73.25 109.29 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 660' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 147.32 33.65 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.487 1.782 . . . . 64.21 110.999 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.15 145.58 42.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 72.02 109.26 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 662' ' ' PHE . . . . . 0.531 ' CD2' HD12 ' A' ' 630' ' ' LEU . 27.0 t80 -61.22 141.24 57.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 73.52 110.978 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 663' ' ' ASP . . . . . 0.448 ' OD2' ' N ' ' A' ' 663' ' ' ASP . 0.1 OUTLIER -133.06 89.86 2.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 75.34 109.293 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 664' ' ' PHE . . . . . 0.498 ' O ' ' CB ' ' A' ' 668' ' ' CYS . 16.1 t80 -42.09 -38.31 1.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 75.21 111.031 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 9.3 mt -48.46 -59.51 3.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 75.12 109.305 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 666' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 669' ' ' ALA . 16.5 tp60 -75.44 -56.09 5.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 64.21 110.326 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 667' ' ' HIS . . . . . 0.485 ' CE1' HG13 ' A' ' 580' ' ' VAL . 4.8 t-80 -44.28 -27.84 0.46 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 73.34 109.627 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 668' ' ' CYS . . . . . 0.498 ' CB ' ' O ' ' A' ' 664' ' ' PHE . 49.8 t -88.18 -42.58 12.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 61.33 108.277 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 669' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 666' ' ' GLN . . . -66.1 -11.46 49.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 70.2 109.312 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 670' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -114.61 -2.14 13.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 74.14 110.309 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 671' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 667' ' ' HIS . 1.1 m-80 -110.84 -14.78 13.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 72.43 109.338 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 19.5 mt -102.93 -176.05 2.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 74.42 109.298 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 70.3 m -118.09 3.05 12.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 74.32 109.994 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -49.87 -25.11 2.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.44 1.087 . . . . 74.44 109.252 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 675' ' ' LEU . . . . . 0.444 ' CD2' ' O ' ' A' ' 669' ' ' ALA . 1.4 mm? -89.62 -45.34 9.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 72.01 109.305 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 676' ' ' SER . . . . . . . . . . . . . 30.7 m -173.94 144.0 0.99 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 75.31 109.978 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 10.9 mt -62.26 -52.6 63.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 74.51 109.283 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 50.9 t0 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 73.52 109.338 179.972 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 679' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 111.014 -0.834 . . . . 52.34 111.014 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -88.33 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.45 1.763 . . . . 71.22 110.995 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 544' ' ' HIS . . . . . 0.413 ' O ' ' N ' ' A' ' 546' ' ' GLN . 29.8 m170 54.21 52.3 12.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 74.1 109.588 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 545' ' ' MET . . . . . 0.512 ' O ' ' CE2' ' A' ' 547' ' ' PHE . 2.9 mpp? -60.53 83.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.082 . . . . 75.54 110.963 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 546' ' ' GLN . . . . . 0.538 ' O ' ' CG ' ' A' ' 547' ' ' PHE . 1.3 pt20 -80.72 168.42 18.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 74.12 110.269 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 547' ' ' PHE . . . . . 0.538 ' CG ' ' O ' ' A' ' 546' ' ' GLN . 94.6 m-85 -162.55 94.53 1.21 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 72.12 110.977 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 548' ' ' PRO . . . . . 0.45 ' HB2' ' CG ' ' A' ' 550' ' ' GLU . 18.3 Cg_endo -74.98 134.96 18.5 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.527 1.804 . . . . 74.54 111.022 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 31.4 m -47.83 -41.38 8.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 73.34 109.26 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 550' ' ' GLU . . . . . 0.45 ' CG ' ' HB2' ' A' ' 548' ' ' PRO . 2.7 pt-20 -55.95 -35.94 67.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 75.12 110.288 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 14.6 m170 -82.98 -26.0 31.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 73.31 109.604 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 552' ' ' VAL . . . . . 0.415 ' CG1' ' HG ' ' A' ' 640' ' ' LEU . 55.9 t -87.16 120.63 36.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 72.21 109.29 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -112.26 142.94 44.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 72.42 110.297 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 2.0 mt -83.22 113.95 21.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 74.12 109.301 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 555' ' ' LEU . . . . . 0.48 HD22 ' CB ' ' A' ' 562' ' ' ALA . 0.3 OUTLIER -132.8 179.78 5.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.09 . . . . 73.12 109.307 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 556' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 559' ' ' CYS . 14.0 t -107.94 105.19 14.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.005 -0.998 . . . . 73.32 110.895 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 557' ' ' ILE . . . . . 0.491 ' HA ' ' CD2' ' A' ' 639' ' ' LEU . 1.2 pt -37.81 -32.91 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.51 1.131 . . . . 73.1 109.289 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 558' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 556' ' ' CYS . 8.7 m-20 -83.33 -48.32 10.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 71.4 109.317 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 559' ' ' CYS . . . . . 0.494 ' N ' ' O ' ' A' ' 556' ' ' CYS . 0.5 OUTLIER -123.3 70.05 1.03 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 73.5 108.283 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 560' ' ' MET . . . . . 0.459 ' N ' ' O ' ' A' ' 556' ' ' CYS . 6.5 mtm -63.27 71.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 71.31 111.009 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 561' ' ' VAL . . . . . 0.491 ' N ' ' O ' ' A' ' 559' ' ' CYS . 0.9 OUTLIER -112.58 2.89 8.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.122 . . . . 74.14 109.3 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 562' ' ' ALA . . . . . 0.48 ' CB ' HD22 ' A' ' 555' ' ' LEU . . . 75.22 105.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 74.33 109.29 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 563' ' ' VAL . . . . . 0.559 HG12 ' CD1' ' A' ' 587' ' ' TYR . 1.6 m -104.36 -7.98 9.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 74.04 109.317 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -176.18 -161.81 25.94 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.479 1.112 . . . . 64.2 111.014 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 565' ' ' HIS . . . . . . . . . . . . . 27.5 m80 -126.76 146.85 50.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 0.737 . . . . 75.22 109.597 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . -72.96 -9.12 75.31 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.549 1.156 . . . . 63.51 111.026 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 9.4 t -108.98 10.48 26.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 0.765 . . . . 74.35 109.992 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -111.4 -26.74 8.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 75.21 109.292 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 569' ' ' LEU . . . . . 0.493 ' C ' ' CD1' ' A' ' 569' ' ' LEU . 0.1 OUTLIER -78.54 165.7 23.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 63.34 109.344 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 570' ' ' ARG . . . . . 0.742 ' NH2' ' HE2' ' A' ' 670' ' ' GLU . 6.0 mtt85 -163.78 151.27 12.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.095 . . . . 75.45 110.242 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 571' ' ' LYS . . . . . 0.561 ' HE2' ' CE1' ' A' ' 577' ' ' HIS . 13.8 ttmt -74.32 158.79 33.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 75.05 109.265 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 572' ' ' VAL . . . . . 0.453 ' CG2' HG23 ' A' ' 578' ' ' VAL . 2.9 t -98.58 99.73 9.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.535 1.147 . . . . 75.1 109.302 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 573' ' ' GLU . . . . . 0.449 ' CG ' ' O ' ' A' ' 572' ' ' VAL . 10.5 pt-20 45.66 25.55 0.27 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.524 1.14 . . . . 75.1 110.326 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 574' ' ' GLY . . . . . 0.404 ' N ' ' C ' ' A' ' 572' ' ' VAL . . . 75.49 41.08 30.97 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.496 1.123 . . . . 62.31 111.05 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 575' ' ' THR . . . . . 0.413 ' N ' ' O ' ' A' ' 572' ' ' VAL . 21.9 m -113.6 -74.91 0.61 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 0.794 . . . . 72.13 110.437 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 19.0 m80 -126.0 177.59 6.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 74.3 109.579 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 577' ' ' HIS . . . . . 0.634 ' CD2' ' CE3' ' A' ' 652' ' ' TRP . 25.8 m80 -100.98 128.11 47.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 75.32 109.631 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 578' ' ' VAL . . . . . 0.453 HG23 ' CG2' ' A' ' 572' ' ' VAL . 16.0 m -142.29 111.29 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 75.24 109.334 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 579' ' ' ASN . . . . . 0.479 ' HA ' ' CB ' ' A' ' 569' ' ' LEU . 1.9 t-20 -81.14 110.82 17.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 74.51 109.316 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 580' ' ' VAL . . . . . 0.455 ' CG2' HD22 ' A' ' 630' ' ' LEU . 2.7 t -79.21 137.63 21.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.538 1.149 . . . . 62.24 109.296 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 581' ' ' ASN . . . . . 0.443 ' CB ' ' HB2' ' A' ' 584' ' ' PHE . 3.0 m120 177.46 129.39 0.2 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 65.02 109.262 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 582' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -30.74 6.81 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.523 1.802 . . . . 73.44 111.025 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 583' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -82.3 -1.79 50.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 65.24 109.335 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 584' ' ' PHE . . . . . 0.476 ' CE1' ' OD1' ' A' ' 579' ' ' ASN . 3.4 t80 -70.94 -32.76 69.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 72.13 111.022 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 585' ' ' SER . . . . . 0.552 ' HA ' ' CE2' ' A' ' 588' ' ' TYR . 30.7 t -60.37 -23.76 64.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 64.32 110.015 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -87.41 -12.79 45.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.57 1.169 . . . . 75.53 109.32 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 587' ' ' TYR . . . . . 0.559 ' CD1' HG12 ' A' ' 563' ' ' VAL . 5.0 m-85 -97.88 7.65 46.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 74.33 111.004 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 588' ' ' TYR . . . . . 0.598 ' CD1' ' C ' ' A' ' 588' ' ' TYR . 1.1 p90 -166.72 158.92 13.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 74.45 110.979 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 589' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -127.55 129.29 47.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 73.3 109.276 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 10.0 t -72.43 135.15 28.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 54.42 109.294 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 4.7 m -50.15 171.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 75.3 109.98 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 33.0 ttt-85 -63.01 -56.27 18.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 74.42 110.275 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.02 148.71 69.72 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 75.1 109.295 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 594' ' ' PRO . . . . . 0.404 ' O ' ' O ' ' A' ' 607' ' ' GLY . 18.5 Cg_endo -74.91 -89.89 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.507 1.793 . . . . 73.43 111.004 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 4.0 t -105.45 129.16 58.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 75.22 109.319 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 596' ' ' VAL . . . . . . . . . . . . . 2.1 t -135.35 91.26 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 63.02 109.316 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 597' ' ' ILE . . . . . 0.469 HD12 ' CD2' ' A' ' 621' ' ' LEU . 3.0 mm -139.56 153.63 23.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 73.44 109.269 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 598' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -68.71 -47.28 66.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 73.34 109.32 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 599' ' ' LYS . . . . . 0.501 ' HE2' ' CD2' ' A' ' 601' ' ' PHE . 0.1 OUTLIER -135.66 130.71 34.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 74.13 109.304 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 600' ' ' VAL . . . . . . . . . . . . . 4.3 t -85.4 156.52 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 72.14 109.315 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 601' ' ' PHE . . . . . 0.501 ' CD2' ' HE2' ' A' ' 599' ' ' LYS . 7.8 m-85 -120.02 166.34 13.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 73.51 110.97 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 602' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 603' ' ' ASP . 43.7 mmtt -101.39 -50.28 3.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 74.43 109.267 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 603' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 602' ' ' LYS . 1.3 m-20 -40.52 -41.73 1.5 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 74.44 109.284 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 604' ' ' TRP . . . . . 0.526 ' CZ3' ' SD ' ' A' ' 623' ' ' MET . 0.6 OUTLIER -157.15 139.63 14.83 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.956 -1.127 . . . . 74.23 107.956 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 605' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -94.33 153.59 40.49 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 75.31 109.275 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 606' ' ' PRO . . . . . 0.403 ' O ' ' CD1' ' A' ' 624' ' ' ILE . 18.3 Cg_endo -74.98 -162.53 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.549 1.816 . . . . 74.21 111.016 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 607' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 622' ' ' GLN . . . -148.82 -110.78 0.57 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.494 1.121 . . . . 73.24 111.001 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 608' ' ' GLY . . . . . . . . . . . . . . . -143.37 158.81 27.39 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.975 -0.85 . . . . 74.54 110.975 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 76.6 t -64.27 127.8 25.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.533 0.784 . . . . 71.44 109.313 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 610' ' ' ILE . . . . . 0.566 HG22 ' CD1' ' A' ' 588' ' ' TYR . 0.8 OUTLIER -97.33 156.81 3.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 74.15 109.274 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -155.89 128.35 7.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 63.42 110.002 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 612' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 616' ' ' GLY . 17.0 t -54.9 119.58 5.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 71.33 108.276 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -74.3 -27.5 60.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 75.52 110.328 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 614' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -61.25 -28.09 68.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 73.12 109.291 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 615' ' ' CYS . . . . . . . . . . . . . 1.8 m -138.41 -73.02 0.4 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 71.33 108.293 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 616' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 153.48 -19.58 0.7 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.465 1.103 . . . . 64.41 111.033 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -41.95 105.55 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 0.739 . . . . 64.11 110.34 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 24.9 t -52.02 138.61 9.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 73.04 109.287 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 619' ' ' TRP . . . . . 0.55 ' CZ2' ' HE2' ' A' ' 638' ' ' MET . 40.7 m0 -98.85 -46.28 5.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 73.34 108.021 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 620' ' ' GLY . . . . . . . . . . . . . . . 164.45 -101.57 0.19 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.481 1.113 . . . . 54.43 110.951 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 621' ' ' LEU . . . . . 0.542 ' CD1' ' C ' ' A' ' 621' ' ' LEU . 0.4 OUTLIER -158.25 168.63 26.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 0.772 . . . . 62.53 109.321 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 622' ' ' GLN . . . . . 0.487 ' OE1' ' CE ' ' A' ' 629' ' ' LYS . 0.5 OUTLIER -100.65 136.4 40.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 74.44 110.289 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 623' ' ' MET . . . . . 0.526 ' SD ' ' CZ3' ' A' ' 604' ' ' TRP . 5.7 mmt -121.77 136.48 54.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 74.24 111.008 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 624' ' ' ILE . . . . . 0.403 ' CD1' ' O ' ' A' ' 606' ' ' PRO . 4.7 mp -108.17 144.64 16.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 73.54 109.295 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 625' ' ' TYR . . . . . 0.563 ' C ' ' CD1' ' A' ' 625' ' ' TYR . 0.1 OUTLIER -147.57 106.43 3.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 74.3 110.99 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 626' ' ' LYS . . . . . 0.502 ' O ' ' CB ' ' A' ' 627' ' ' SER . 0.8 OUTLIER 67.47 22.7 9.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 72.4 109.297 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 627' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.2 p 85.15 37.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 62.15 110.027 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 628' ' ' VAL . . . . . 0.505 ' CG1' ' CD2' ' A' ' 630' ' ' LEU . 53.8 t -121.93 110.63 27.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 74.51 109.295 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 629' ' ' LYS . . . . . 0.487 ' CE ' ' OE1' ' A' ' 622' ' ' GLN . 4.9 mmmm -71.61 100.37 2.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 73.12 109.295 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 630' ' ' LEU . . . . . 0.512 HD12 ' CD2' ' A' ' 662' ' ' PHE . 41.8 mt -118.11 111.83 38.47 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 73.04 109.304 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 631' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 134.65 18.13 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.561 1.822 . . . . 73.31 111.013 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 632' ' ' VAL . . . . . 0.448 ' C ' ' CD1' ' A' ' 633' ' ' LEU . 20.4 t -98.72 106.95 19.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 75.52 109.319 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 633' ' ' LEU . . . . . 0.556 ' CD1' ' N ' ' A' ' 633' ' ' LEU . 0.0 OUTLIER -110.11 171.74 7.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.125 . . . . 65.24 109.278 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 634' ' ' LYS . . . . . 0.49 ' CD ' ' O ' ' A' ' 619' ' ' TRP . 5.5 mtpt -100.43 -173.77 2.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 74.45 109.293 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 635' ' ' VAL . . . . . 0.511 ' HB ' ' CD2' ' A' ' 652' ' ' TRP . 9.2 p -106.8 -30.75 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 65.33 109.295 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 636' ' ' ARG . . . . . . . . . . . . . 7.9 ptt180 -82.77 -0.74 49.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 74.54 110.26 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 16.2 t -111.77 -13.46 13.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 75.43 109.986 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 638' ' ' MET . . . . . 0.55 ' HE2' ' CZ2' ' A' ' 619' ' ' TRP . 32.3 mmt -109.01 125.5 52.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 71.31 110.962 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 639' ' ' LEU . . . . . 0.491 ' CD2' ' HA ' ' A' ' 557' ' ' ILE . 0.0 OUTLIER -88.16 134.38 33.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 73.0 109.287 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 640' ' ' LEU . . . . . 0.453 ' N ' HD13 ' A' ' 639' ' ' LEU . 0.1 OUTLIER -106.32 96.18 6.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 74.04 109.313 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . 0.429 ' HB2' ' CD1' ' A' ' 555' ' ' LEU . 4.7 mt-10 -73.29 125.19 27.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 73.12 110.322 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 642' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -135.33 160.28 68.61 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 74.41 110.364 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 2.26 6.85 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.506 1.793 . . . . 74.35 110.982 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -108.71 -10.26 15.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 74.54 110.273 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 125.29 140.1 5.34 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.528 1.143 . . . . 74.02 111.017 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 49.5 mtm-85 -46.09 153.16 0.33 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 0.747 . . . . 73.33 110.264 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 647' ' ' ILE . . . . . . . . . . . . . 49.2 mt -139.07 126.08 25.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 74.23 109.337 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 648' ' ' GLN . . . . . 0.406 ' NE2' HD13 ' A' ' 557' ' ' ILE . 0.0 OUTLIER -125.41 95.83 4.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 74.02 110.26 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 649' ' ' ALA . . . . . . . . . . . . . . . -88.2 178.28 6.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 74.44 109.299 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 60.7 mttt -110.76 -24.43 10.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 74.34 109.305 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 651' ' ' LYS . . . . . 0.4 ' CA ' HG11 ' A' ' 635' ' ' VAL . 2.0 mppt? -133.67 160.11 38.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 71.44 109.267 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 652' ' ' TRP . . . . . 0.634 ' CE3' ' CD2' ' A' ' 577' ' ' HIS . 63.8 m95 -74.39 -5.88 44.96 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.981 -1.118 . . . . 75.12 107.981 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 9.0 t -70.56 -16.97 62.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 65.1 110.001 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 654' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 655' ' ' VAL . 6.5 mmm180 -100.53 -15.15 17.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 75.34 110.265 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 655' ' ' VAL . . . . . 0.572 HG12 ' CE1' ' A' ' 657' ' ' PHE . 5.2 t -39.98 116.5 1.2 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 72.32 109.29 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 656' ' ' PRO . . . . . 0.469 ' HB2' ' CB ' ' A' ' 547' ' ' PHE . 18.3 Cg_endo -75.01 -40.63 0.83 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.49 1.784 . . . . 75.14 110.985 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 657' ' ' PHE . . . . . 0.642 ' CE2' ' CG2' ' A' ' 659' ' ' VAL . 38.8 p90 -75.07 155.92 36.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 73.4 111.017 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 1.4 m -81.53 141.63 33.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 74.32 110.007 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 659' ' ' VAL . . . . . 0.642 ' CG2' ' CE2' ' A' ' 657' ' ' PHE . 1.9 t -129.63 95.27 29.99 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 74.42 109.323 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 660' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 147.83 34.34 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.532 1.806 . . . . 73.22 110.995 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 661' ' ' ASP . . . . . 0.439 ' OD2' ' N ' ' A' ' 661' ' ' ASP . 0.9 OUTLIER -73.05 158.92 34.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 52.43 109.294 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 662' ' ' PHE . . . . . 0.519 ' CZ ' ' CG ' ' A' ' 667' ' ' HIS . 4.6 t80 -73.06 122.12 21.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 75.42 111.019 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 663' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 666' ' ' GLN . 6.9 m-20 -120.6 98.65 6.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 73.13 109.314 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 664' ' ' PHE . . . . . 0.484 ' O ' ' CB ' ' A' ' 668' ' ' CYS . 8.9 t80 -37.59 -37.9 0.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 74.23 110.995 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 13.6 mt -60.46 -53.41 57.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 62.51 109.352 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 666' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 669' ' ' ALA . 18.3 tp60 -68.45 -60.8 2.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 71.52 110.295 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 667' ' ' HIS . . . . . 0.519 ' CG ' ' CZ ' ' A' ' 662' ' ' PHE . 3.7 t60 -46.56 -25.82 0.77 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 62.15 109.618 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 668' ' ' CYS . . . . . 0.484 ' CB ' ' O ' ' A' ' 664' ' ' PHE . 17.3 t -82.86 -43.21 16.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 65.12 108.272 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 669' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 666' ' ' GLN . . . -70.53 -11.5 60.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 74.32 109.276 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 670' ' ' GLU . . . . . 0.742 ' HE2' ' NH2' ' A' ' 570' ' ' ARG . 12.7 mt-10 -84.95 -23.42 28.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 74.51 110.306 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -101.74 -30.81 11.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 74.41 109.331 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 3.1 mt -97.29 -58.16 2.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 74.15 109.286 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 1.3 m 65.46 20.79 11.78 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.545 1.153 . . . . 71.12 109.965 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -72.02 -15.07 62.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 70.04 109.272 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 675' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.25 -67.42 0.8 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 74.05 109.32 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 676' ' ' SER . . . . . . . . . . . . . 36.4 m -167.49 152.22 6.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 71.51 110.003 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 677' ' ' LEU . . . . . 0.548 ' CD1' ' N ' ' A' ' 677' ' ' LEU . 1.7 mp -87.59 -55.68 3.68 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.147 . . . . 74.12 109.27 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 9.8 t70 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 74.22 109.332 -179.98 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 679' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 111.004 -0.838 . . . . 64.51 111.004 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -87.86 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.515 1.797 . . . . 62.45 110.992 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 11.1 m-70 -81.37 150.73 28.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 73.21 109.555 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 545' ' ' MET . . . . . . . . . . . . . 27.1 mtp -108.3 75.94 1.01 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 72.41 111.026 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 546' ' ' GLN . . . . . 0.513 ' C ' ' CD1' ' A' ' 547' ' ' PHE . 2.3 pt20 -115.94 159.63 21.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 75.44 110.317 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 547' ' ' PHE . . . . . 0.642 ' CD1' ' N ' ' A' ' 547' ' ' PHE . 0.1 OUTLIER -148.66 97.24 3.74 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 74.15 110.95 -179.923 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 548' ' ' PRO . . . . . 0.52 ' HG2' ' CG ' ' A' ' 551' ' ' HIS . 18.3 Cg_endo -75.01 129.63 12.51 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.543 1.812 . . . . 74.44 110.986 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 549' ' ' VAL . . . . . 0.414 HG22 ' N ' ' A' ' 550' ' ' GLU . 33.3 m -47.81 -39.91 7.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 73.52 109.269 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 550' ' ' GLU . . . . . 0.459 ' CG ' ' HB2' ' A' ' 548' ' ' PRO . 4.8 pt-20 -56.77 -36.71 70.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 65.42 110.284 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 551' ' ' HIS . . . . . 0.52 ' CG ' ' HG2' ' A' ' 548' ' ' PRO . 43.9 m170 -84.57 -23.18 29.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 73.54 109.643 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 552' ' ' VAL . . . . . . . . . . . . . 84.0 t -83.08 118.86 31.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 73.44 109.307 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -110.81 169.99 8.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 73.13 110.347 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 554' ' ' LEU . . . . . 0.417 ' N ' HD12 ' A' ' 555' ' ' LEU . 2.9 mt -110.04 106.19 15.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 73.4 109.329 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 555' ' ' LEU . . . . . 0.614 ' CD1' ' N ' ' A' ' 555' ' ' LEU . 0.0 OUTLIER -123.32 168.37 12.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 75.51 109.307 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 556' ' ' CYS . . . . . 0.616 ' O ' ' N ' ' A' ' 560' ' ' MET . 4.2 t -99.37 106.89 19.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.001 -0.999 . . . . 75.2 110.938 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 557' ' ' ILE . . . . . 0.456 HG21 ' CG ' ' A' ' 648' ' ' GLN . 1.0 OUTLIER -36.32 -32.2 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 73.41 109.335 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 558' ' ' ASN . . . . . 0.498 ' N ' ' O ' ' A' ' 556' ' ' CYS . 3.0 m120 -80.72 -66.3 0.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 73.21 109.248 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 559' ' ' CYS . . . . . 0.482 ' O ' ' HB2' ' A' ' 560' ' ' MET . 28.1 m -71.25 -63.52 1.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 73.52 108.264 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 560' ' ' MET . . . . . 0.616 ' N ' ' O ' ' A' ' 556' ' ' CYS . 6.7 mtm 69.19 52.48 0.48 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 74.31 111.004 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 561' ' ' VAL . . . . . 0.51 ' O ' ' CB ' ' A' ' 562' ' ' ALA . 1.4 m -117.61 -7.35 11.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 75.33 109.29 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 562' ' ' ALA . . . . . 0.51 ' CB ' ' O ' ' A' ' 561' ' ' VAL . . . 84.55 107.64 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 75.31 109.325 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 563' ' ' VAL . . . . . 0.445 ' HA ' ' CD2' ' A' ' 587' ' ' TYR . 0.3 OUTLIER -107.11 -4.76 10.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 75.14 109.298 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -173.37 -152.98 9.2 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.529 1.143 . . . . 62.03 111.035 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 565' ' ' HIS . . . . . . . . . . . . . 29.4 m-70 -136.81 154.05 50.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.454 0.738 . . . . 74.34 109.593 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . -80.81 -11.36 84.0 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.458 1.099 . . . . 42.32 111.008 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 32.7 t -104.98 5.67 32.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 0.77 . . . . 53.1 109.985 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -113.19 -13.98 12.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 70.4 109.277 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 569' ' ' LEU . . . . . 0.514 ' CD2' ' CZ ' ' A' ' 657' ' ' PHE . 0.2 OUTLIER -79.62 150.15 31.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 75.34 109.3 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 570' ' ' ARG . . . . . 0.466 ' HA ' ' CG2' ' A' ' 659' ' ' VAL . 75.5 mtt85 -132.51 149.6 52.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 73.1 110.334 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 571' ' ' LYS . . . . . 0.464 ' CD ' ' O ' ' A' ' 659' ' ' VAL . 20.9 ptmt -101.67 153.38 19.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 75.21 109.277 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 572' ' ' VAL . . . . . 0.403 ' O ' ' CG ' ' A' ' 573' ' ' GLU . 2.6 t -111.72 104.21 16.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 74.21 109.308 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 573' ' ' GLU . . . . . 0.403 ' CG ' ' O ' ' A' ' 572' ' ' VAL . 9.6 pt-20 42.83 36.16 0.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 73.3 110.315 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 44.45 45.74 8.45 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.513 1.133 . . . . 52.44 110.992 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 575' ' ' THR . . . . . 0.507 ' O ' ' CG ' ' A' ' 576' ' ' HIS . 1.3 m -112.73 -35.57 5.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 0.773 . . . . 72.01 110.361 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 576' ' ' HIS . . . . . 0.507 ' CG ' ' O ' ' A' ' 575' ' ' THR . 10.7 m80 -168.13 106.09 0.49 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 75.1 109.598 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 577' ' ' HIS . . . . . 0.706 ' CD2' ' CE3' ' A' ' 652' ' ' TRP . 4.7 m80 -44.7 151.22 0.3 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 75.41 109.575 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 578' ' ' VAL . . . . . 0.439 HG11 ' CG2' ' A' ' 632' ' ' VAL . 2.6 m -154.86 108.38 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 74.33 109.336 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 579' ' ' ASN . . . . . 0.463 ' HB3' ' CD2' ' A' ' 633' ' ' LEU . 2.5 t-20 -83.99 119.06 24.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 74.34 109.312 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 580' ' ' VAL . . . . . 0.486 ' CG1' ' CD2' ' A' ' 630' ' ' LEU . 2.3 t -91.08 143.02 12.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 73.11 109.307 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 581' ' ' ASN . . . . . 0.452 ' CB ' ' HB2' ' A' ' 584' ' ' PHE . 21.3 m-20 179.01 132.66 0.23 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 74.32 109.308 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 582' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -49.09 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.485 1.782 . . . . 75.51 110.975 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 583' ' ' ASN . . . . . . . . . . . . . 12.7 m-20 -60.61 -15.6 29.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 70.34 109.302 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 584' ' ' PHE . . . . . 0.577 ' CE2' ' CZ3' ' A' ' 619' ' ' TRP . 2.0 t80 -61.0 -36.93 80.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 73.44 110.999 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 585' ' ' SER . . . . . 0.568 ' HA ' ' CE2' ' A' ' 588' ' ' TYR . 1.5 t -56.5 -29.58 62.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 62.32 109.967 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -87.18 -16.88 34.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 72.15 109.304 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 587' ' ' TYR . . . . . 0.445 ' CD2' ' HA ' ' A' ' 563' ' ' VAL . 8.5 m-30 -89.48 -10.04 47.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 70.12 110.984 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 588' ' ' TYR . . . . . 0.572 ' CD1' ' C ' ' A' ' 588' ' ' TYR . 1.9 p90 -147.1 157.75 43.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 74.42 110.98 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 589' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -123.6 129.3 50.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.162 . . . . 74.31 109.285 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 590' ' ' VAL . . . . . 0.457 ' CG1' ' HA3' ' A' ' 608' ' ' GLY . 7.4 t -76.31 137.06 23.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 75.5 109.288 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 591' ' ' SER . . . . . 0.413 ' OG ' ' N ' ' A' ' 592' ' ' ARG . 3.8 t -56.3 174.53 0.13 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 54.54 110.012 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 592' ' ' ARG . . . . . 0.413 ' N ' ' OG ' ' A' ' 591' ' ' SER . 33.9 mtt85 -82.03 -41.16 21.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 74.42 110.283 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.8 152.6 6.77 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.132 . . . . 74.15 109.267 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -89.71 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.472 1.775 . . . . 74.13 110.987 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 3.8 t -106.23 129.11 60.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.1 . . . . 73.14 109.324 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 596' ' ' VAL . . . . . . . . . . . . . 2.2 t -134.82 78.11 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.117 . . . . 63.11 109.304 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 597' ' ' ILE . . . . . 0.534 ' CD1' ' CE ' ' A' ' 623' ' ' MET . 2.4 mt -144.34 140.99 24.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 75.43 109.307 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 598' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -43.58 -53.19 5.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 74.42 109.296 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.04 143.75 29.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 65.23 109.287 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 600' ' ' VAL . . . . . 0.464 HG13 ' CD ' ' A' ' 606' ' ' PRO . 5.7 t -81.38 136.17 23.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 74.24 109.27 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 601' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -107.51 168.13 9.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 75.14 110.994 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 11.3 tmtt? -90.82 -44.25 9.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 73.33 109.309 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -40.2 -36.95 0.57 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.459 1.099 . . . . 73.35 109.292 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 604' ' ' TRP . . . . . 0.539 ' CG ' ' SD ' ' A' ' 623' ' ' MET . 0.2 OUTLIER -157.11 176.33 12.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 72.2 108.009 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 605' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.85 151.16 47.01 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 70.15 109.287 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 606' ' ' PRO . . . . . 0.464 ' CD ' HG13 ' A' ' 600' ' ' VAL . 18.3 Cg_endo -75.03 127.9 11.03 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.547 1.814 . . . . 73.42 111.017 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 607' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 622' ' ' GLN . . . -97.23 -117.88 3.61 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.504 1.128 . . . . 63.11 111.004 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 608' ' ' GLY . . . . . 0.457 ' HA3' ' CG1' ' A' ' 590' ' ' VAL . . . -133.34 148.08 19.23 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.003 -0.839 . . . . 71.11 111.003 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 24.7 t -54.11 125.68 9.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 0.755 . . . . 70.41 109.274 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 610' ' ' ILE . . . . . 0.461 HG13 ' CA ' ' A' ' 621' ' ' LEU . 0.7 OUTLIER -91.35 144.89 8.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.151 . . . . 75.23 109.273 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.86 131.85 29.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 55.11 109.966 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 612' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 616' ' ' GLY . 35.8 t -61.82 107.9 0.92 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.443 1.09 . . . . 63.35 108.289 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 11.4 ttt180 -66.47 -33.03 74.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 70.53 110.32 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 614' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -56.8 -41.78 78.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 72.3 109.319 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 615' ' ' CYS . . . . . 0.42 ' N ' ' SG ' ' A' ' 559' ' ' CYS . 0.8 OUTLIER -126.95 -74.24 0.6 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 64.22 108.277 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 616' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 160.29 -24.29 0.28 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.495 1.122 . . . . 65.45 110.984 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -42.13 106.68 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 0.739 . . . . 72.33 110.311 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 78.2 t -56.9 140.66 14.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 73.12 109.235 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 619' ' ' TRP . . . . . 0.577 ' CZ3' ' CE2' ' A' ' 584' ' ' PHE . 42.2 m0 -98.07 -42.62 7.39 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.961 -1.126 . . . . 73.52 107.961 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 620' ' ' GLY . . . . . . . . . . . . . . . 163.59 -108.15 0.33 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.508 1.13 . . . . 65.33 110.959 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 621' ' ' LEU . . . . . 0.503 ' C ' ' CD2' ' A' ' 621' ' ' LEU . 0.0 OUTLIER -152.7 154.27 34.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 0.748 . . . . 75.31 109.298 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 622' ' ' GLN . . . . . 0.451 ' O ' ' CD2' ' A' ' 621' ' ' LEU . 1.6 tt0 -86.66 134.97 33.57 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.143 . . . . 74.53 110.263 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 623' ' ' MET . . . . . 0.539 ' SD ' ' CG ' ' A' ' 604' ' ' TRP . 4.8 mmt -115.24 126.2 54.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 71.55 111.008 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 624' ' ' ILE . . . . . . . . . . . . . 1.7 mp -102.36 112.19 34.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 74.43 109.305 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 625' ' ' TYR . . . . . 0.519 ' C ' ' CD1' ' A' ' 625' ' ' TYR . 0.2 OUTLIER -112.8 108.67 17.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 74.54 110.998 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 626' ' ' LYS . . . . . 0.513 ' O ' ' CB ' ' A' ' 627' ' ' SER . 1.4 mmmt 65.37 21.48 11.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 72.43 109.321 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 627' ' ' SER . . . . . 0.513 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.2 p 86.6 40.7 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 73.34 110.026 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 628' ' ' VAL . . . . . 0.468 HG13 ' CG ' ' A' ' 630' ' ' LEU . 55.3 t -124.6 110.3 24.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 73.11 109.307 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 17.9 mmmt -67.81 99.18 0.79 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 74.41 109.285 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 630' ' ' LEU . . . . . 0.568 HD11 ' CE2' ' A' ' 662' ' ' PHE . 53.6 mt -119.78 111.81 35.67 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 73.21 109.306 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 631' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 126.54 10.02 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.547 1.814 . . . . 63.31 110.998 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 632' ' ' VAL . . . . . 0.439 ' CG2' HG11 ' A' ' 578' ' ' VAL . 41.5 t -98.24 101.97 12.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 71.1 109.297 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 633' ' ' LEU . . . . . 0.555 ' CD1' ' N ' ' A' ' 633' ' ' LEU . 0.0 OUTLIER -103.42 171.28 7.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.098 . . . . 75.22 109.287 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 3.0 mtpt -97.35 -177.01 3.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 74.44 109.266 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 635' ' ' VAL . . . . . 0.497 ' CG1' ' C ' ' A' ' 650' ' ' LYS . 7.5 p -104.11 -10.21 9.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 70.12 109.257 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 636' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -94.28 -23.58 17.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 75.11 110.303 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 6.8 p -90.96 -9.98 44.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 71.52 109.979 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 638' ' ' MET . . . . . 0.41 ' HA ' ' O ' ' A' ' 555' ' ' LEU . 32.4 mmt -114.53 125.06 53.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.118 . . . . 75.45 111.008 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 639' ' ' LEU . . . . . . . . . . . . . 1.6 tp -91.65 124.78 36.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.427 1.079 . . . . 73.02 109.274 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 640' ' ' LEU . . . . . 0.471 ' CD1' ' HD2' ' A' ' 656' ' ' PRO . 51.2 mt -88.56 100.92 13.45 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.116 . . . . 74.2 109.319 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -73.41 129.01 37.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 73.4 110.301 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 642' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -141.74 160.7 55.21 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 73.12 110.389 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 2.7 6.34 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.52 1.8 . . . . 74.12 111.007 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -113.35 0.42 14.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 74.22 110.269 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 113.56 124.94 4.19 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.534 1.147 . . . . 72.34 110.999 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 1.3 mtt85 -38.68 148.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 0.74 . . . . 73.12 110.274 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 647' ' ' ILE . . . . . . . . . . . . . 14.2 mt -130.19 129.76 65.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 74.32 109.308 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 648' ' ' GLN . . . . . 0.456 ' CG ' HG21 ' A' ' 557' ' ' ILE . 0.9 OUTLIER -124.65 110.21 14.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 71.11 110.299 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 649' ' ' ALA . . . . . 0.403 ' N ' ' OE1' ' A' ' 648' ' ' GLN . . . -122.91 168.79 11.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 73.21 109.284 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 650' ' ' LYS . . . . . 0.497 ' C ' ' CG1' ' A' ' 635' ' ' VAL . 1.7 mtmt -104.96 -18.27 14.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 75.2 109.289 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -114.87 135.5 54.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 75.23 109.308 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 652' ' ' TRP . . . . . 0.706 ' CE3' ' CD2' ' A' ' 577' ' ' HIS . 75.9 m95 -66.93 -12.17 58.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 71.23 107.998 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 46.5 t -65.3 -11.15 38.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 65.31 110.021 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 654' ' ' ARG . . . . . 0.41 ' O ' ' C ' ' A' ' 655' ' ' VAL . 7.3 mmm180 -99.58 -29.55 12.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 74.51 110.276 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 655' ' ' VAL . . . . . 0.579 HG12 ' CZ ' ' A' ' 657' ' ' PHE . 2.4 t -39.85 119.84 1.41 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 70.23 109.282 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 656' ' ' PRO . . . . . 0.516 ' HB2' ' CG ' ' A' ' 547' ' ' PHE . 18.3 Cg_endo -75.01 -42.78 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.516 1.798 . . . . 65.35 110.971 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 657' ' ' PHE . . . . . 0.579 ' CZ ' HG12 ' A' ' 655' ' ' VAL . 9.5 p90 -69.26 151.41 46.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 64.24 110.984 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -101.39 149.6 23.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 71.31 110.004 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 659' ' ' VAL . . . . . 0.471 ' HB ' ' CD1' ' A' ' 569' ' ' LEU . 0.1 OUTLIER -143.52 112.8 5.51 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 74.52 109.318 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 660' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 148.06 34.92 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.436 1.756 . . . . 73.12 111.026 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -42.23 151.52 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 64.31 109.291 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 662' ' ' PHE . . . . . 0.568 ' CE2' HD11 ' A' ' 630' ' ' LEU . 30.4 t80 -70.96 117.7 12.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 73.23 111.004 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 663' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -91.26 117.68 29.85 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.142 . . . . 73.43 109.258 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 664' ' ' PHE . . . . . 0.438 ' O ' ' CB ' ' A' ' 668' ' ' CYS . 67.4 t80 -82.22 -21.22 36.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 72.44 111.029 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 8.7 mt -71.06 -34.94 71.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 74.32 109.298 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -87.95 -50.23 6.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 63.43 110.3 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 667' ' ' HIS . . . . . 0.414 ' O ' ' ND2' ' A' ' 671' ' ' ASN . 8.4 t60 -55.32 -49.02 73.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 63.52 109.594 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 668' ' ' CYS . . . . . 0.438 ' CB ' ' O ' ' A' ' 664' ' ' PHE . 36.2 t -62.24 -34.61 76.84 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.509 1.131 . . . . 75.1 108.265 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -73.53 -11.56 60.49 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 73.42 109.293 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 670' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -115.7 -2.11 12.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 73.1 110.343 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 671' ' ' ASN . . . . . 0.414 ' ND2' ' O ' ' A' ' 667' ' ' HIS . 1.3 m-80 -105.07 -15.63 15.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 74.15 109.335 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 14.6 mt -89.99 -175.03 4.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 74.31 109.31 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 4.0 m -101.73 12.16 37.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 74.13 109.992 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -63.98 -16.65 62.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 74.15 109.281 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 675' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -75.0 -53.31 9.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 73.13 109.277 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 676' ' ' SER . . . . . . . . . . . . . 3.6 m -173.71 145.12 1.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 71.23 109.99 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 11.0 mt -89.3 -58.21 2.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 75.31 109.298 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 5.5 t70 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 73.41 109.313 180.0 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 679' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 111.019 -0.832 . . . . 74.3 111.019 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 154.64 42.28 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.536 1.809 . . . . 74.11 110.963 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 21.3 t60 -55.25 -178.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 74.45 109.625 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 545' ' ' MET . . . . . . . . . . . . . 19.3 mtp -98.16 70.37 2.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 72.42 111.016 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 546' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -112.55 138.09 49.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 75.34 110.329 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 547' ' ' PHE . . . . . 0.524 ' CG ' ' HB2' ' A' ' 656' ' ' PRO . 7.0 m-85 -148.81 102.98 3.41 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 74.21 111.011 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 548' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 143.44 29.29 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.489 1.784 . . . . 60.41 111.027 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 28.4 m -50.33 -45.31 24.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 75.34 109.277 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -53.18 -30.32 36.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 74.24 110.274 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 9.2 m170 -87.59 -29.1 21.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 74.44 109.59 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 552' ' ' VAL . . . . . 0.47 ' CG2' ' HB3' ' A' ' 657' ' ' PHE . 54.0 t -86.78 119.76 35.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 73.15 109.266 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -108.37 144.6 35.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 74.21 110.292 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 554' ' ' LEU . . . . . 0.413 ' CD1' HD21 ' A' ' 569' ' ' LEU . 0.9 OUTLIER -87.36 114.7 24.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 74.04 109.289 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 555' ' ' LEU . . . . . 0.525 HD23 ' CA ' ' A' ' 562' ' ' ALA . 0.2 OUTLIER -133.69 177.93 7.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 74.32 109.305 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 556' ' ' CYS . . . . . 0.511 ' O ' ' N ' ' A' ' 560' ' ' MET . 5.1 t -107.88 100.87 10.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 114.976 -1.011 . . . . 74.11 110.937 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 557' ' ' ILE . . . . . 0.478 ' C ' ' O ' ' A' ' 556' ' ' CYS . 1.2 pt -34.75 -34.2 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 74.2 109.25 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 558' ' ' ASN . . . . . 0.501 ' N ' ' O ' ' A' ' 556' ' ' CYS . 2.5 m120 -75.07 -61.44 1.89 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 74.45 109.318 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 559' ' ' CYS . . . . . 0.511 ' O ' ' HB2' ' A' ' 560' ' ' MET . 2.8 m -78.36 -69.82 0.53 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 75.31 108.264 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 560' ' ' MET . . . . . 0.511 ' HB2' ' O ' ' A' ' 559' ' ' CYS . 28.1 mtm 79.59 45.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 73.33 111.042 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 561' ' ' VAL . . . . . 0.417 HG21 ' ND2' ' A' ' 614' ' ' ASN . 1.0 OUTLIER -115.45 15.02 7.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 74.13 109.232 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 562' ' ' ALA . . . . . 0.525 ' CA ' HD23 ' A' ' 555' ' ' LEU . . . 65.67 111.17 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 71.31 109.311 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 563' ' ' VAL . . . . . 0.57 ' HA ' ' CE2' ' A' ' 587' ' ' TYR . 2.4 m -110.5 -5.59 11.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.162 . . . . 75.42 109.367 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -179.51 -160.22 24.82 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.472 1.108 . . . . 44.24 110.981 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 565' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -129.61 156.67 43.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 0.735 . . . . 70.43 109.625 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . -78.65 -5.72 88.27 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.498 1.124 . . . . 71.34 111.045 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 3.1 t -108.42 10.9 27.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 0.752 . . . . 73.53 110.033 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 53.9 m-20 -110.72 -33.92 6.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 72.44 109.28 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 569' ' ' LEU . . . . . 0.473 ' C ' ' CD1' ' A' ' 569' ' ' LEU . 0.1 OUTLIER -79.21 158.85 27.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 72.34 109.295 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 570' ' ' ARG . . . . . 0.697 ' CZ ' ' CD1' ' A' ' 662' ' ' PHE . 8.5 mtm105 -132.39 -172.11 2.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 74.55 110.32 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 571' ' ' LYS . . . . . 0.49 ' CG ' ' HA2' ' A' ' 574' ' ' GLY . 4.9 ttmt -132.61 107.92 8.74 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 74.3 109.333 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 572' ' ' VAL . . . . . 0.457 ' O ' ' C ' ' A' ' 573' ' ' GLU . 2.4 t -79.69 110.97 15.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 74.51 109.287 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 573' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 572' ' ' VAL . 6.6 pt-20 34.64 43.91 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 75.23 110.308 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 574' ' ' GLY . . . . . 0.49 ' HA2' ' CG ' ' A' ' 571' ' ' LYS . . . 34.82 51.14 0.8 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.532 1.145 . . . . 74.44 110.992 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 2.9 m -117.57 -40.16 3.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 0.729 . . . . 74.0 110.418 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 576' ' ' HIS . . . . . 0.457 ' HB3' ' CG1' ' A' ' 632' ' ' VAL . 2.9 m80 -161.79 112.6 1.65 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 74.33 109.612 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 577' ' ' HIS . . . . . 0.744 ' CD2' ' CD2' ' A' ' 652' ' ' TRP . 50.7 m-70 -66.11 118.69 10.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 71.11 109.641 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 578' ' ' VAL . . . . . 0.517 ' CG1' ' CG2' ' A' ' 632' ' ' VAL . 10.6 m -120.25 112.72 37.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 64.02 109.293 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 579' ' ' ASN . . . . . 0.6 ' OD1' ' CE1' ' A' ' 584' ' ' PHE . 2.2 t-20 -77.93 116.88 18.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 75.53 109.262 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 580' ' ' VAL . . . . . 0.466 ' CG2' ' NH2' ' A' ' 570' ' ' ARG . 26.2 t -91.86 125.28 44.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 75.13 109.334 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 581' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -173.89 136.27 0.65 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 71.52 109.32 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 582' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -35.93 2.87 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.476 1.777 . . . . 74.42 111.036 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 583' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -74.38 -6.03 45.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 72.31 109.264 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 584' ' ' PHE . . . . . 0.6 ' CE1' ' OD1' ' A' ' 579' ' ' ASN . 3.8 t80 -72.41 -33.9 67.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 75.23 111.026 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 585' ' ' SER . . . . . 0.546 ' HA ' ' CE2' ' A' ' 588' ' ' TYR . 4.6 t -57.3 -26.27 60.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 74.23 110.02 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -87.41 -17.51 32.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 73.24 109.313 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 587' ' ' TYR . . . . . 0.57 ' CE2' ' HA ' ' A' ' 563' ' ' VAL . 2.3 m-85 -91.08 4.7 51.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 74.41 110.971 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 588' ' ' TYR . . . . . 0.592 ' CD1' ' C ' ' A' ' 588' ' ' TYR . 1.0 OUTLIER -164.13 158.89 19.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 72.21 110.997 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 589' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -134.47 128.47 33.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 63.55 109.315 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 590' ' ' VAL . . . . . 0.437 ' CG1' ' HA3' ' A' ' 608' ' ' GLY . 17.2 t -72.67 133.18 32.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.127 . . . . 74.1 109.284 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 34.9 t -54.19 165.33 0.52 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 70.22 109.986 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 39.4 mtm180 -58.21 -61.15 2.77 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 74.31 110.288 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -47.75 158.41 0.52 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 63.23 109.317 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -89.68 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.486 1.782 . . . . 71.22 110.981 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 595' ' ' VAL . . . . . 0.429 ' CG2' ' O ' ' A' ' 607' ' ' GLY . 3.9 t -108.75 131.86 58.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 75.42 109.288 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 596' ' ' VAL . . . . . . . . . . . . . 2.1 t -136.23 82.28 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 74.02 109.333 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 597' ' ' ILE . . . . . 0.459 ' CG2' ' N ' ' A' ' 598' ' ' ASN . 2.8 mm -134.91 166.68 27.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 72.13 109.306 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 598' ' ' ASN . . . . . 0.459 ' N ' ' CG2' ' A' ' 597' ' ' ILE . 8.6 m120 -88.92 -61.33 1.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 74.22 109.29 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 599' ' ' LYS . . . . . 0.563 ' HD3' ' CZ ' ' A' ' 601' ' ' PHE . 0.0 OUTLIER -93.83 176.98 6.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 75.41 109.311 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 600' ' ' VAL . . . . . 0.412 ' N ' ' HG2' ' A' ' 599' ' ' LYS . 75.9 t -132.48 152.11 35.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 72.23 109.328 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 601' ' ' PHE . . . . . 0.563 ' CZ ' ' HD3' ' A' ' 599' ' ' LYS . 62.5 m-85 -118.32 163.88 16.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 74.1 111.0 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 602' ' ' LYS . . . . . 0.408 ' C ' ' N ' ' A' ' 604' ' ' TRP . 0.0 OUTLIER -109.31 -53.1 2.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.473 1.108 . . . . 74.3 109.312 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -43.2 -28.06 0.28 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 72.31 109.274 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 604' ' ' TRP . . . . . 0.565 ' CH2' ' HG3' ' A' ' 623' ' ' MET . 0.5 OUTLIER -157.09 165.86 34.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 74.43 107.982 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 605' ' ' LYS . . . . . . . . . . . . . 9.9 ptmt -112.34 157.58 39.62 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.578 1.174 . . . . 72.01 109.275 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 606' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 171.51 18.18 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.48 1.779 . . . . 63.44 110.972 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 607' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 622' ' ' GLN . . . -135.59 -108.71 0.96 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.482 1.114 . . . . 71.53 111.007 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 608' ' ' GLY . . . . . 0.437 ' HA3' ' CG1' ' A' ' 590' ' ' VAL . . . -135.36 148.14 19.47 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 110.994 -0.842 . . . . 75.24 110.994 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 13.5 t -57.04 126.46 14.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 0.755 . . . . 74.42 109.26 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 610' ' ' ILE . . . . . 0.473 HG13 ' CA ' ' A' ' 621' ' ' LEU . 0.6 OUTLIER -95.06 145.33 8.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 75.43 109.318 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.87 121.76 9.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.589 1.181 . . . . 74.4 109.973 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 612' ' ' CYS . . . . . 0.514 ' HB2' ' CE2' ' A' ' 619' ' ' TRP . 33.8 t -48.78 119.99 3.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 74.21 108.3 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 7.4 ttt180 -71.01 -25.35 62.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 71.51 110.278 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 614' ' ' ASN . . . . . 0.417 ' ND2' HG21 ' A' ' 561' ' ' VAL . 81.0 m-20 -67.38 -36.03 80.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 74.14 109.328 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 615' ' ' CYS . . . . . 0.442 ' SG ' ' N ' ' A' ' 559' ' ' CYS . 0.2 OUTLIER -126.43 -74.63 0.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 75.45 108.341 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 616' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 148.07 -17.27 1.37 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.529 1.143 . . . . 73.54 110.983 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 617' ' ' GLU . . . . . 0.423 ' OE1' ' ND2' ' A' ' 558' ' ' ASN . 19.2 tp10 -42.49 102.87 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.52 0.777 . . . . 75.33 110.302 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 618' ' ' VAL . . . . . 0.451 ' O ' ' NZ ' ' A' ' 634' ' ' LYS . 25.6 t -49.17 118.08 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 72.44 109.263 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 619' ' ' TRP . . . . . 0.587 ' CE2' ' CE ' ' A' ' 638' ' ' MET . 36.7 m0 -81.44 -39.2 25.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 73.42 108.013 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 620' ' ' GLY . . . . . . . . . . . . . . . 160.44 -113.98 0.59 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.526 1.141 . . . . 51.31 111.029 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 621' ' ' LEU . . . . . 0.487 ' C ' ' CD2' ' A' ' 621' ' ' LEU . 0.0 OUTLIER -148.45 160.85 42.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 0.782 . . . . 74.0 109.301 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 622' ' ' GLN . . . . . 0.458 ' OE1' ' CE ' ' A' ' 629' ' ' LYS . 0.8 OUTLIER -89.37 131.92 35.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 75.15 110.293 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 623' ' ' MET . . . . . 0.565 ' HG3' ' CH2' ' A' ' 604' ' ' TRP . 9.9 mmt -106.23 142.34 36.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 54.32 110.974 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 624' ' ' ILE . . . . . 0.52 ' CD1' ' N ' ' A' ' 624' ' ' ILE . 2.7 mp -118.94 111.98 35.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 75.55 109.311 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 625' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -119.78 112.4 19.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 74.11 110.978 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 626' ' ' LYS . . . . . 0.509 ' O ' ' CB ' ' A' ' 627' ' ' SER . 6.4 mmpt? 65.32 17.31 10.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 73.23 109.32 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 627' ' ' SER . . . . . 0.509 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.1 p 87.3 40.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 63.3 109.984 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 628' ' ' VAL . . . . . 0.468 HG11 ' CG ' ' A' ' 630' ' ' LEU . 79.1 t -122.18 119.51 58.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 71.42 109.309 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 629' ' ' LYS . . . . . 0.458 ' CE ' ' OE1' ' A' ' 622' ' ' GLN . 6.8 mmmm -74.8 100.27 3.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 64.54 109.291 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 630' ' ' LEU . . . . . 0.468 ' CG ' HG11 ' A' ' 628' ' ' VAL . 27.1 mt -124.1 111.95 28.55 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 75.01 109.322 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 631' ' ' PRO . . . . . 0.407 ' HB3' ' CD1' ' A' ' 610' ' ' ILE . 18.4 Cg_endo -74.94 138.91 23.82 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.508 1.794 . . . . 72.15 111.009 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 632' ' ' VAL . . . . . 0.517 ' CG2' ' CG1' ' A' ' 578' ' ' VAL . 23.0 t -106.46 113.75 43.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 72.42 109.299 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 633' ' ' LEU . . . . . 0.539 ' CD1' ' N ' ' A' ' 633' ' ' LEU . 0.0 OUTLIER -113.96 171.64 7.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 73.21 109.267 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 634' ' ' LYS . . . . . 0.454 ' NZ ' ' OG ' ' A' ' 637' ' ' SER . 11.0 mtmm -102.53 -174.13 2.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 73.04 109.292 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 635' ' ' VAL . . . . . 0.522 ' HB ' ' CD2' ' A' ' 652' ' ' TRP . 14.9 p -107.0 -20.34 6.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 75.01 109.252 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 636' ' ' ARG . . . . . . . . . . . . . 6.9 ptp180 -82.31 -23.09 35.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 73.1 110.275 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 637' ' ' SER . . . . . 0.454 ' OG ' ' NZ ' ' A' ' 634' ' ' LYS . 3.6 m -96.05 -9.01 31.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 74.12 109.985 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 638' ' ' MET . . . . . 0.587 ' CE ' ' CE2' ' A' ' 619' ' ' TRP . 32.6 mmt -109.43 137.46 47.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 63.54 110.97 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 639' ' ' LEU . . . . . 0.458 ' CD2' ' HD2' ' A' ' 646' ' ' ARG . 11.6 tp -101.27 141.26 34.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 75.32 109.328 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 640' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -109.95 90.99 3.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 74.12 109.263 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -74.92 123.74 25.64 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.475 1.11 . . . . 74.42 110.301 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 642' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.82 160.13 68.96 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 73.4 110.419 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 2.82 6.19 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.478 1.778 . . . . 73.12 110.983 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -113.9 -4.93 13.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 75.3 110.314 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 127.6 142.95 5.62 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.483 1.114 . . . . 44.15 110.962 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 646' ' ' ARG . . . . . 0.458 ' HD2' ' CD2' ' A' ' 639' ' ' LEU . 57.3 mtm-85 -57.77 149.74 21.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 0.729 . . . . 74.31 110.333 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 647' ' ' ILE . . . . . . . . . . . . . 48.9 mt -136.83 127.1 39.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 72.41 109.295 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 648' ' ' GLN . . . . . 0.474 ' CG ' HG22 ' A' ' 557' ' ' ILE . 0.3 OUTLIER -128.28 112.31 14.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 75.1 110.329 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 649' ' ' ALA . . . . . 0.443 ' CB ' ' HB2' ' A' ' 654' ' ' ARG . . . -112.85 154.22 26.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 73.42 109.304 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 7.9 mttm -90.04 -8.03 52.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 63.54 109.321 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 651' ' ' LYS . . . . . 0.442 ' C ' ' CG1' ' A' ' 635' ' ' VAL . 0.0 OUTLIER -138.74 153.69 48.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 74.14 109.32 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 652' ' ' TRP . . . . . 0.744 ' CD2' ' CD2' ' A' ' 577' ' ' HIS . 59.7 m95 -75.77 -9.86 58.95 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.96 -1.126 . . . . 74.51 107.96 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 7.8 t -65.27 -11.06 37.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 74.01 109.996 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 654' ' ' ARG . . . . . 0.443 ' HB2' ' CB ' ' A' ' 649' ' ' ALA . 7.3 mmt85 -105.64 -12.4 15.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 73.0 110.317 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 655' ' ' VAL . . . . . 0.57 HG13 ' CZ ' ' A' ' 657' ' ' PHE . 6.2 t -40.33 111.13 0.73 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 73.13 109.272 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 656' ' ' PRO . . . . . 0.524 ' HB2' ' CG ' ' A' ' 547' ' ' PHE . 18.3 Cg_endo -75.03 -29.75 7.85 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.489 1.784 . . . . 75.14 110.955 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 657' ' ' PHE . . . . . 0.57 ' CZ ' HG13 ' A' ' 655' ' ' VAL . 54.4 p90 -84.47 164.84 18.58 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.496 1.123 . . . . 65.14 110.963 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.69 150.17 23.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 73.51 109.987 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 659' ' ' VAL . . . . . 0.497 HG22 ' CE2' ' A' ' 657' ' ' PHE . 1.8 t -141.73 100.89 6.02 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 75.45 109.341 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 660' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 166.79 28.4 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.528 1.804 . . . . 72.34 110.975 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -89.89 151.42 21.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 73.23 109.3 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 662' ' ' PHE . . . . . 0.697 ' CD1' ' CZ ' ' A' ' 570' ' ' ARG . 1.9 t80 -49.97 159.99 0.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 75.51 110.995 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 663' ' ' ASP . . . . . 0.457 ' O ' ' N ' ' A' ' 666' ' ' GLN . 58.9 t0 -132.85 71.73 1.48 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 72.32 109.33 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 664' ' ' PHE . . . . . 0.504 ' O ' ' CB ' ' A' ' 668' ' ' CYS . 9.0 t80 -42.75 -37.51 1.79 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 72.1 111.022 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 9.2 mt -58.66 -43.11 89.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 73.24 109.304 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 666' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 663' ' ' ASP . 2.7 tp-100 -81.14 -62.15 1.75 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 75.33 110.277 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 667' ' ' HIS . . . . . 0.483 ' CG ' ' CZ ' ' A' ' 662' ' ' PHE . 3.7 t60 -44.36 -53.44 6.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 71.31 109.629 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 668' ' ' CYS . . . . . 0.504 ' CB ' ' O ' ' A' ' 664' ' ' PHE . 11.4 t -60.87 -34.72 75.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.11 . . . . 75.33 108.304 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 669' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 666' ' ' GLN . . . -73.66 -11.44 60.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 74.12 109.295 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 670' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -115.53 -3.08 12.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 75.23 110.271 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 671' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 667' ' ' HIS . 1.2 m-80 -104.08 -17.12 15.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 72.52 109.316 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 15.3 mt -90.76 -176.46 4.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 44.14 109.276 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 19.6 m -106.91 8.59 30.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 74.01 110.007 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -56.23 -20.88 20.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.165 . . . . 74.55 109.283 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 675' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.62 -59.8 2.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 74.02 109.332 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 676' ' ' SER . . . . . . . . . . . . . 6.0 p -168.49 172.5 8.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 72.11 109.969 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -113.47 -50.35 2.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 73.35 109.34 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 8.5 t70 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 72.52 109.342 179.999 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 679' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 110.962 -0.855 . . . . 75.34 110.962 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -6.15 17.69 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.495 1.787 . . . . 75.14 110.986 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 68.4 m80 -91.73 -23.05 19.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 75.33 109.598 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 545' ' ' MET . . . . . 0.465 ' C ' ' CE1' ' A' ' 547' ' ' PHE . 35.4 mtp 55.08 49.6 17.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 64.11 111.021 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 546' ' ' GLN . . . . . 0.535 ' C ' ' CD1' ' A' ' 547' ' ' PHE . 23.2 mt-30 -116.1 138.2 51.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 64.33 110.314 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 547' ' ' PHE . . . . . 0.535 ' CD1' ' C ' ' A' ' 546' ' ' GLN . 0.5 OUTLIER -153.79 102.78 2.5 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 71.1 111.002 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 548' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 144.8 30.54 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.553 1.818 . . . . 64.24 110.979 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 549' ' ' VAL . . . . . 0.419 HG22 ' N ' ' A' ' 550' ' ' GLU . 28.9 m -51.17 -44.08 28.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 72.12 109.288 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 550' ' ' GLU . . . . . 0.419 ' N ' HG22 ' A' ' 549' ' ' VAL . 3.7 pt-20 -53.43 -29.56 35.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 72.03 110.316 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 8.6 m170 -89.13 -22.93 22.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 72.44 109.598 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 552' ' ' VAL . . . . . 0.558 HG11 ' CD1' ' A' ' 657' ' ' PHE . 42.8 t -91.86 126.5 44.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 65.22 109.253 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 553' ' ' GLN . . . . . 0.579 ' OE1' ' CE1' ' A' ' 565' ' ' HIS . 8.9 tt0 -112.28 148.67 33.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 74.54 110.303 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 1.3 mt -90.91 111.19 22.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 74.1 109.309 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 555' ' ' LEU . . . . . 0.476 HD22 ' N ' ' A' ' 562' ' ' ALA . 0.2 OUTLIER -133.28 177.21 7.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 74.12 109.291 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 556' ' ' CYS . . . . . 0.538 ' O ' ' N ' ' A' ' 560' ' ' MET . 5.4 t -102.35 101.42 11.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.009 -0.996 . . . . 70.44 110.915 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 557' ' ' ILE . . . . . 0.495 ' C ' ' O ' ' A' ' 556' ' ' CYS . 1.4 pt -33.08 -36.5 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.113 . . . . 72.43 109.276 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 558' ' ' ASN . . . . . 0.516 ' N ' ' O ' ' A' ' 556' ' ' CYS . 2.7 m120 -73.95 -61.5 1.83 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 72.12 109.276 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 559' ' ' CYS . . . . . 0.499 ' O ' ' HB2' ' A' ' 560' ' ' MET . 3.9 m -77.75 -69.89 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 72.44 108.32 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 560' ' ' MET . . . . . 0.538 ' N ' ' O ' ' A' ' 556' ' ' CYS . 24.8 mtm 78.55 47.07 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 74.2 111.014 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 561' ' ' VAL . . . . . 0.516 ' O ' ' CB ' ' A' ' 562' ' ' ALA . 1.1 m -108.07 -5.27 10.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 71.45 109.303 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 562' ' ' ALA . . . . . 0.516 ' CB ' ' O ' ' A' ' 561' ' ' VAL . . . 85.27 100.52 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 64.34 109.278 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 563' ' ' VAL . . . . . 0.499 HG11 ' CD1' ' A' ' 587' ' ' TYR . 2.2 m -98.19 -7.11 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 64.13 109.309 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -179.87 -161.05 26.42 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 72.4 111.011 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 565' ' ' HIS . . . . . 0.579 ' CE1' ' OE1' ' A' ' 553' ' ' GLN . 48.1 m-70 -123.77 147.08 47.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 0.79 . . . . 74.31 109.552 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . -74.13 -2.8 63.18 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.543 1.152 . . . . 64.21 111.01 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 567' ' ' SER . . . . . 0.404 ' CB ' HG22 ' A' ' 549' ' ' VAL . 12.7 p -114.95 11.93 16.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 0.775 . . . . 74.1 109.968 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -112.06 -16.44 13.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 73.31 109.305 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 569' ' ' LEU . . . . . 0.498 ' C ' ' CD1' ' A' ' 569' ' ' LEU . 0.1 OUTLIER -91.14 164.65 13.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 70.11 109.305 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 570' ' ' ARG . . . . . 0.564 ' NH1' ' CG2' ' A' ' 572' ' ' VAL . 0.2 OUTLIER -146.75 -176.77 5.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 72.33 110.27 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 571' ' ' LYS . . . . . 0.543 ' HE2' ' CE1' ' A' ' 577' ' ' HIS . 23.2 ttmt -111.74 159.26 18.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 73.22 109.307 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 572' ' ' VAL . . . . . 0.564 ' CG2' ' NH1' ' A' ' 570' ' ' ARG . 2.2 t -124.18 105.37 15.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 73.21 109.288 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 573' ' ' GLU . . . . . 0.408 ' CG ' ' O ' ' A' ' 572' ' ' VAL . 9.2 pt-20 43.57 36.34 1.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 74.45 110.295 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 574' ' ' GLY . . . . . 0.435 ' HA2' ' CD ' ' A' ' 571' ' ' LYS . . . 43.83 46.94 7.68 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.427 1.079 . . . . 74.4 110.982 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 2.0 m -114.54 -50.33 2.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 0.768 . . . . 75.3 110.444 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 5.1 m80 -157.52 117.18 3.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.138 . . . . 73.33 109.649 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 577' ' ' HIS . . . . . 0.543 ' CE1' ' HE2' ' A' ' 571' ' ' LYS . 35.9 m-70 -49.64 157.7 0.52 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 71.31 109.601 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 578' ' ' VAL . . . . . 0.471 ' CG1' HG22 ' A' ' 632' ' ' VAL . 0.2 OUTLIER -158.34 129.18 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 71.14 109.262 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 579' ' ' ASN . . . . . 0.569 ' OD1' ' CE1' ' A' ' 584' ' ' PHE . 2.6 t-20 -98.78 113.16 25.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 70.31 109.29 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 580' ' ' VAL . . . . . 0.464 HG11 ' CD2' ' A' ' 630' ' ' LEU . 2.7 t -87.22 131.92 33.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 73.22 109.248 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 581' ' ' ASN . . . . . 0.425 ' CB ' ' HB2' ' A' ' 584' ' ' PHE . 4.4 m120 -179.78 131.58 0.26 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 74.25 109.314 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 582' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -33.93 4.28 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.482 1.78 . . . . 63.33 111.039 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 583' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -78.46 -1.63 34.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 75.33 109.258 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 584' ' ' PHE . . . . . 0.569 ' CE1' ' OD1' ' A' ' 579' ' ' ASN . 3.3 t80 -73.78 -30.96 63.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 72.33 111.007 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 585' ' ' SER . . . . . 0.562 ' HA ' ' CE2' ' A' ' 588' ' ' TYR . 7.3 t -62.41 -21.99 65.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 70.1 109.939 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -87.11 -12.63 46.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 74.51 109.266 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 587' ' ' TYR . . . . . 0.499 ' CD1' HG11 ' A' ' 563' ' ' VAL . 6.1 m-85 -97.53 4.12 50.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 75.41 110.962 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 588' ' ' TYR . . . . . 0.574 ' CD1' ' C ' ' A' ' 588' ' ' TYR . 1.9 p90 -163.61 156.78 18.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 72.04 111.037 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 589' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -126.47 126.91 44.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.081 . . . . 64.33 109.305 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 590' ' ' VAL . . . . . 0.474 ' CG1' ' HA3' ' A' ' 608' ' ' GLY . 10.5 t -72.66 136.44 25.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 72.13 109.295 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 7.2 t -62.97 174.38 1.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 74.43 110.016 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 64.4 ttt-85 -79.58 -41.7 26.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 71.43 110.289 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -41.61 145.89 0.62 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 74.32 109.324 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -89.41 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.513 1.796 . . . . 61.22 111.003 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 595' ' ' VAL . . . . . 0.417 ' CG2' ' HG2' ' A' ' 606' ' ' PRO . 53.8 t -102.59 125.42 56.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 72.14 109.297 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 596' ' ' VAL . . . . . . . . . . . . . 2.3 t -135.08 78.28 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 75.42 109.297 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 597' ' ' ILE . . . . . 0.499 ' CG2' ' N ' ' A' ' 598' ' ' ASN . 2.9 mt -144.09 163.82 14.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 73.44 109.299 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 598' ' ' ASN . . . . . 0.499 ' N ' ' CG2' ' A' ' 597' ' ' ILE . 0.8 OUTLIER -67.34 -56.32 10.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 72.43 109.285 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 599' ' ' LYS . . . . . 0.562 ' HE3' ' CE2' ' A' ' 601' ' ' PHE . 0.0 OUTLIER -141.44 178.15 7.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.097 . . . . 75.44 109.293 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 600' ' ' VAL . . . . . . . . . . . . . 40.8 t -98.38 155.97 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 74.23 109.303 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 601' ' ' PHE . . . . . 0.562 ' CE2' ' HE3' ' A' ' 599' ' ' LYS . 83.3 m-85 -125.96 166.11 17.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 71.13 111.011 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 49.6 mttm -104.85 19.07 21.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 72.51 109.274 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -113.7 -36.14 4.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.575 1.172 . . . . 72.42 109.283 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 604' ' ' TRP . . . . . 0.51 ' CE2' ' HE3' ' A' ' 623' ' ' MET . 0.2 OUTLIER -157.0 172.87 17.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 71.4 108.01 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 605' ' ' LYS . . . . . . . . . . . . . 7.4 ptpt -119.69 163.25 28.52 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 74.13 109.322 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 606' ' ' PRO . . . . . 0.417 ' HG2' ' CG2' ' A' ' 595' ' ' VAL . 18.3 Cg_endo -75.0 143.91 29.62 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.479 1.778 . . . . 75.15 110.964 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 607' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 622' ' ' GLN . . . -117.48 -83.98 0.99 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.474 1.109 . . . . 72.33 111.023 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 608' ' ' GLY . . . . . 0.474 ' HA3' ' CG1' ' A' ' 590' ' ' VAL . . . -163.35 150.11 18.45 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.011 -0.836 . . . . 72.02 111.011 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 10.7 t -58.18 133.44 23.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 0.785 . . . . 73.11 109.297 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 610' ' ' ILE . . . . . 0.537 ' CG2' ' CD1' ' A' ' 588' ' ' TYR . 0.6 OUTLIER -103.18 149.64 7.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 74.42 109.26 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 1.1 t -149.3 146.32 27.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 71.34 109.989 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 612' ' ' CYS . . . . . 0.458 ' O ' ' N ' ' A' ' 616' ' ' GLY . 20.1 t -66.41 119.43 11.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 70.33 108.279 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 10.7 ttt-85 -72.92 -24.29 60.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 74.42 110.317 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 614' ' ' ASN . . . . . 0.425 ' ND2' HG21 ' A' ' 561' ' ' VAL . 90.4 m-20 -70.08 -32.1 70.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 63.21 109.294 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 615' ' ' CYS . . . . . 0.403 ' N ' ' SG ' ' A' ' 559' ' ' CYS . 1.7 m -129.56 -74.04 0.56 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 74.11 108.328 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 616' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 152.42 -20.93 0.83 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.493 1.121 . . . . 45.43 111.039 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -42.77 112.04 0.32 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 0.76 . . . . 73.5 110.286 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 3.3 t -49.42 141.87 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 74.53 109.314 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 619' ' ' TRP . . . . . 0.551 ' CE2' ' CE ' ' A' ' 638' ' ' MET . 29.6 m0 -106.47 -31.01 8.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 75.51 108.028 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 620' ' ' GLY . . . . . . . . . . . . . . . 150.61 -118.93 0.96 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.484 1.115 . . . . 41.12 111.015 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 621' ' ' LEU . . . . . 0.472 ' CA ' HG13 ' A' ' 610' ' ' ILE . 0.0 OUTLIER -146.27 162.34 38.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 0.738 . . . . 73.22 109.294 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 622' ' ' GLN . . . . . 0.447 ' O ' ' CD2' ' A' ' 621' ' ' LEU . 0.4 OUTLIER -96.0 134.47 38.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 71.42 110.307 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 623' ' ' MET . . . . . 0.51 ' HE3' ' CE2' ' A' ' 604' ' ' TRP . 4.6 mmt -115.86 150.3 37.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 73.2 111.024 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 624' ' ' ILE . . . . . 0.528 ' CD1' ' N ' ' A' ' 624' ' ' ILE . 2.4 mp -119.25 119.01 59.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 73.51 109.325 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 625' ' ' TYR . . . . . 0.527 ' C ' ' CD1' ' A' ' 625' ' ' TYR . 0.2 OUTLIER -123.63 111.47 16.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 74.24 110.998 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 626' ' ' LYS . . . . . 0.487 ' O ' ' CB ' ' A' ' 627' ' ' SER . 0.7 OUTLIER 61.8 21.18 12.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 75.14 109.294 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 627' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.2 p 85.37 41.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 74.34 109.974 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 628' ' ' VAL . . . . . 0.474 HG11 ' CD1' ' A' ' 630' ' ' LEU . 54.0 t -127.9 107.9 17.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 72.41 109.293 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 3.7 mmmm -66.45 99.28 0.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 75.44 109.283 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 630' ' ' LEU . . . . . 0.474 ' CD1' HG11 ' A' ' 628' ' ' VAL . 4.9 mt -118.59 112.76 36.9 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 75.25 109.324 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 631' ' ' PRO . . . . . 0.451 ' HB3' ' CD1' ' A' ' 610' ' ' ILE . 18.3 Cg_endo -74.98 146.99 33.41 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.463 1.77 . . . . 72.31 111.008 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 632' ' ' VAL . . . . . 0.48 ' C ' ' CD1' ' A' ' 633' ' ' LEU . 30.0 t -111.93 111.95 38.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 55.01 109.302 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 633' ' ' LEU . . . . . 0.582 ' CD1' ' N ' ' A' ' 633' ' ' LEU . 0.0 OUTLIER -112.34 171.59 7.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 73.01 109.299 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 634' ' ' LYS . . . . . 0.475 ' CE ' ' CG ' ' A' ' 636' ' ' ARG . 0.0 OUTLIER -114.34 179.29 3.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 72.01 109.302 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 635' ' ' VAL . . . . . 0.498 ' CG1' ' O ' ' A' ' 650' ' ' LYS . 10.7 p -93.6 -42.57 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 72.52 109.297 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 636' ' ' ARG . . . . . 0.475 ' CG ' ' CE ' ' A' ' 634' ' ' LYS . 0.2 OUTLIER -58.83 -15.51 12.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 73.31 110.304 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 27.2 t -106.44 -15.28 14.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 73.04 109.975 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 638' ' ' MET . . . . . 0.551 ' CE ' ' CE2' ' A' ' 619' ' ' TRP . 32.7 mmt -109.75 132.75 53.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 74.12 111.023 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 639' ' ' LEU . . . . . 0.483 ' CD1' ' HA ' ' A' ' 557' ' ' ILE . 1.2 tt -98.68 150.45 21.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 72.33 109.266 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 640' ' ' LEU . . . . . 0.48 HD11 ' CE1' ' A' ' 657' ' ' PHE . 1.7 mm? -113.08 93.42 4.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 75.24 109.305 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . 0.449 ' HB2' ' CD1' ' A' ' 555' ' ' LEU . 7.9 mt-10 -73.98 119.58 18.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 64.25 110.301 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 642' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.34 159.91 62.89 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 73.42 110.411 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 1.83 7.32 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.502 1.791 . . . . 75.44 110.996 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -108.91 -5.59 16.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 63.23 110.304 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 128.45 145.06 5.94 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.476 1.11 . . . . 51.32 111.0 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 47.4 mtm-85 -58.44 145.62 37.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 0.766 . . . . 74.32 110.306 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 647' ' ' ILE . . . . . . . . . . . . . 53.1 mt -136.26 137.34 48.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 71.04 109.264 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 648' ' ' GLN . . . . . 0.457 ' CG ' HG22 ' A' ' 557' ' ' ILE . 0.2 OUTLIER -131.96 110.47 10.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 73.52 110.282 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 649' ' ' ALA . . . . . . . . . . . . . . . -106.33 165.57 11.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 73.13 109.304 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 650' ' ' LYS . . . . . 0.498 ' O ' ' CG1' ' A' ' 635' ' ' VAL . 0.0 OUTLIER -104.59 -38.32 6.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 71.34 109.299 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 651' ' ' LYS . . . . . 0.41 ' N ' ' HD3' ' A' ' 651' ' ' LYS . 0.0 OUTLIER -111.49 145.41 39.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 74.44 109.301 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 652' ' ' TRP . . . . . 0.497 ' CG ' ' CD2' ' A' ' 577' ' ' HIS . 67.2 m95 -69.03 -10.26 56.67 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.989 -1.115 . . . . 74.03 107.989 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 2.5 t -71.46 -18.19 62.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 74.22 110.005 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 654' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 655' ' ' VAL . 3.1 mmm180 -100.61 -21.38 15.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 72.4 110.29 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 655' ' ' VAL . . . . . 0.587 HG11 ' CZ ' ' A' ' 657' ' ' PHE . 2.2 t -39.86 126.88 1.57 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 73.33 109.326 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 656' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -50.3 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.468 1.773 . . . . 75.55 111.005 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 657' ' ' PHE . . . . . 0.587 ' CZ ' HG11 ' A' ' 655' ' ' VAL . 44.9 p90 -65.47 159.46 24.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 72.25 111.004 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 7.1 m -90.31 150.06 22.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 70.01 109.997 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 659' ' ' VAL . . . . . 0.568 HG21 ' CE2' ' A' ' 657' ' ' PHE . 2.1 t -134.23 95.3 16.77 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 72.3 109.316 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 660' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 148.43 35.09 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.484 1.781 . . . . 64.05 111.01 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -63.8 160.01 18.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 71.12 109.286 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 662' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -40.53 161.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 75.44 110.992 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 663' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -131.47 79.02 1.86 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.127 . . . . 75.31 109.302 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 664' ' ' PHE . . . . . 0.511 ' CE1' ' OH ' ' A' ' 625' ' ' TYR . 4.2 t80 -54.26 -23.28 14.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.165 . . . . 73.02 111.03 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 54.5 mt -73.25 -53.35 11.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 74.02 109.332 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -68.03 -59.89 2.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 64.12 110.271 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 667' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -43.86 -45.39 7.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 73.44 109.583 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 668' ' ' CYS . . . . . . . . . . . . . 51.4 t -65.24 -45.83 83.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 73.44 108.275 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -65.47 -11.53 44.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 71.35 109.29 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 670' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -103.91 -21.99 13.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 75.55 110.316 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -87.22 -27.44 22.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 64.42 109.287 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 672' ' ' LEU . . . . . 0.514 ' O ' ' CB ' ' A' ' 673' ' ' SER . 3.6 mt -85.77 -68.92 0.7 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 74.31 109.311 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 673' ' ' SER . . . . . 0.514 ' CB ' ' O ' ' A' ' 672' ' ' LEU . 1.4 p 86.02 5.13 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 72.31 110.011 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -59.0 -16.08 16.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 71.45 109.318 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 675' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.86 -67.89 0.45 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 73.45 109.32 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 676' ' ' SER . . . . . . . . . . . . . 3.0 m -173.63 141.83 0.89 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.456 1.097 . . . . 75.11 109.996 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 677' ' ' LEU . . . . . 0.556 ' CD1' ' N ' ' A' ' 677' ' ' LEU . 1.4 mp -88.56 -47.29 8.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 74.24 109.306 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 2.9 t70 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 75.45 109.294 179.959 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 679' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 110.975 -0.85 . . . . 73.4 110.975 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -178.47 4.2 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.508 1.794 . . . . 63.43 110.982 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 57.5 m170 -59.95 179.1 0.14 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 74.11 109.608 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 545' ' ' MET . . . . . . . . . . . . . 75.2 mtp -76.73 76.26 3.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 74.32 111.028 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 546' ' ' GLN . . . . . 0.548 ' C ' ' CD1' ' A' ' 547' ' ' PHE . 11.8 mt-30 -126.44 144.72 50.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 75.52 110.294 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 547' ' ' PHE . . . . . 0.624 ' CD1' ' N ' ' A' ' 547' ' ' PHE . 0.2 OUTLIER -148.27 100.55 3.6 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.127 . . . . 74.33 111.046 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 548' ' ' PRO . . . . . 0.424 ' HB2' ' CG ' ' A' ' 550' ' ' GLU . 18.3 Cg_endo -74.97 139.31 24.21 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.513 1.796 . . . . 73.43 111.041 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 27.9 m -49.24 -41.41 14.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 75.03 109.26 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 550' ' ' GLU . . . . . 0.424 ' CG ' ' HB2' ' A' ' 548' ' ' PRO . 4.3 pt-20 -56.45 -33.85 66.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 73.32 110.29 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -85.35 -17.08 37.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 75.12 109.59 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 552' ' ' VAL . . . . . . . . . . . . . 42.4 t -95.18 122.16 46.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 73.3 109.284 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -109.1 150.69 27.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 73.44 110.307 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -91.4 113.31 25.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 74.15 109.334 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 555' ' ' LEU . . . . . 0.452 HD21 ' N ' ' A' ' 562' ' ' ALA . 0.4 OUTLIER -134.46 -178.51 5.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 71.44 109.302 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 556' ' ' CYS . . . . . 0.597 ' O ' ' N ' ' A' ' 560' ' ' MET . 4.3 t -108.06 108.07 19.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.995 -1.002 . . . . 74.1 110.915 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 557' ' ' ILE . . . . . 0.477 HG22 ' CG ' ' A' ' 648' ' ' GLN . 1.1 pt -36.51 -32.36 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 75.11 109.283 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 558' ' ' ASN . . . . . 0.492 ' N ' ' O ' ' A' ' 556' ' ' CYS . 8.1 m-20 -83.85 -65.38 1.02 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.565 1.165 . . . . 72.53 109.284 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 559' ' ' CYS . . . . . 0.462 ' O ' ' HB2' ' A' ' 560' ' ' MET . 3.3 m -65.38 -64.48 0.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 64.55 108.344 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 560' ' ' MET . . . . . 0.597 ' N ' ' O ' ' A' ' 556' ' ' CYS . 10.1 mtm 67.44 42.97 2.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.106 . . . . 75.52 111.016 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 561' ' ' VAL . . . . . 0.48 ' O ' ' CB ' ' A' ' 562' ' ' ALA . 1.0 OUTLIER -111.22 -2.0 10.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 73.33 109.276 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 562' ' ' ALA . . . . . 0.48 ' CB ' ' O ' ' A' ' 561' ' ' VAL . . . 82.66 108.09 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 74.01 109.287 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 563' ' ' VAL . . . . . 0.481 HG13 ' CD1' ' A' ' 587' ' ' TYR . 1.1 m -106.16 -7.38 10.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 73.35 109.269 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -179.04 -159.66 23.61 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.52 1.137 . . . . 52.31 111.043 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 565' ' ' HIS . . . . . . . . . . . . . 28.1 m80 -126.14 147.72 49.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 0.771 . . . . 74.24 109.592 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 566' ' ' GLY . . . . . 0.44 ' O ' ' CD1' ' A' ' 569' ' ' LEU . . . -74.95 -17.03 80.25 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.501 1.126 . . . . 71.32 111.008 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 8.8 t -101.85 9.61 40.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 0.746 . . . . 73.31 110.0 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -111.69 -17.74 12.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 74.32 109.289 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 569' ' ' LEU . . . . . 0.474 ' C ' ' CD1' ' A' ' 569' ' ' LEU . 0.2 OUTLIER -85.55 162.72 18.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 74.43 109.257 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 570' ' ' ARG . . . . . 0.447 ' CB ' ' O ' ' A' ' 660' ' ' PRO . 0.0 OUTLIER -155.93 149.13 24.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 74.5 110.314 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 571' ' ' LYS . . . . . 0.484 ' HE2' ' CE1' ' A' ' 577' ' ' HIS . 17.8 ttmt -74.0 158.66 33.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 71.24 109.272 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 572' ' ' VAL . . . . . 0.432 ' CG2' HG21 ' A' ' 578' ' ' VAL . 2.2 t -119.3 107.98 22.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 74.33 109.299 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 573' ' ' GLU . . . . . 0.421 ' CG ' ' O ' ' A' ' 572' ' ' VAL . 11.4 pt-20 43.89 36.02 1.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 75.35 110.296 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 47.07 48.57 19.43 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.554 1.159 . . . . 52.23 111.032 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 2.0 m -116.21 -44.76 2.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 0.772 . . . . 72.32 110.376 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 6.0 m80 -164.14 140.7 6.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 75.32 109.591 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 577' ' ' HIS . . . . . 0.694 ' CG ' ' CE3' ' A' ' 652' ' ' TRP . 40.6 m-70 -66.4 129.69 40.68 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.491 1.119 . . . . 73.41 109.629 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 578' ' ' VAL . . . . . 0.432 HG21 ' CG2' ' A' ' 572' ' ' VAL . 4.4 m -134.76 125.14 45.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 74.41 109.351 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 579' ' ' ASN . . . . . 0.465 ' HB3' ' CD2' ' A' ' 633' ' ' LEU . 2.1 t-20 -94.21 118.61 31.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 71.53 109.304 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 580' ' ' VAL . . . . . 0.471 HG12 ' CD2' ' A' ' 630' ' ' LEU . 3.7 t -91.3 138.23 20.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 71.21 109.311 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 581' ' ' ASN . . . . . 0.477 HD22 ' ND2' ' A' ' 583' ' ' ASN . 23.5 t-20 173.14 130.89 0.1 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 63.4 109.303 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 582' ' ' PRO . . . . . 0.424 ' HD2' ' ND2' ' A' ' 581' ' ' ASN . 18.2 Cg_endo -75.0 -25.93 11.4 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.532 1.806 . . . . 73.12 110.992 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 583' ' ' ASN . . . . . 0.477 ' ND2' HD22 ' A' ' 581' ' ' ASN . 0.2 OUTLIER -80.14 -0.6 36.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 65.3 109.291 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 584' ' ' PHE . . . . . 0.491 ' O ' ' CD2' ' A' ' 588' ' ' TYR . 2.2 t80 -78.1 -28.74 48.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 70.12 111.004 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 11.3 p -60.08 -27.41 66.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.09 . . . . 64.1 109.946 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -87.22 -11.64 49.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 71.51 109.28 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 587' ' ' TYR . . . . . 0.481 ' CD1' HG13 ' A' ' 563' ' ' VAL . 2.8 m-85 -97.99 5.14 49.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 74.44 111.015 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 588' ' ' TYR . . . . . 0.676 ' CD1' ' CG2' ' A' ' 610' ' ' ILE . 1.0 OUTLIER -168.14 158.9 10.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 73.51 111.029 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 589' ' ' ASN . . . . . 0.483 ' N ' ' ND2' ' A' ' 589' ' ' ASN . 0.0 OUTLIER -135.57 121.85 20.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.459 1.099 . . . . 74.33 109.31 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 67.1 t -72.45 149.65 8.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 74.24 109.328 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 591' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 592' ' ' ARG . 4.2 t -50.44 136.89 19.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 75.25 109.993 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 592' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 591' ' ' SER . 0.0 OUTLIER -36.28 -58.46 0.68 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 73.44 110.338 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 593' ' ' ASP . . . . . 0.401 ' O ' ' O ' ' A' ' 591' ' ' SER . 1.5 m-20 -45.91 158.26 0.36 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 75.51 109.346 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -61.25 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.474 1.776 . . . . 55.54 111.014 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 86.4 t -144.31 119.84 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 74.25 109.313 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 596' ' ' VAL . . . . . . . . . . . . . 2.1 t -135.95 84.14 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 70.44 109.309 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 597' ' ' ILE . . . . . 0.46 HD12 ' CD1' ' A' ' 621' ' ' LEU . 3.8 mm -121.09 154.4 24.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 65.2 109.325 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 598' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -68.03 -10.61 55.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 71.54 109.355 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 599' ' ' LYS . . . . . 0.425 ' HG2' ' N ' ' A' ' 600' ' ' VAL . 0.0 OUTLIER -173.88 -174.66 0.96 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.13 . . . . 74.11 109.3 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 600' ' ' VAL . . . . . 0.425 ' N ' ' HG2' ' A' ' 599' ' ' LYS . 58.2 t -126.61 150.07 32.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.118 . . . . 74.11 109.318 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 601' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -103.37 168.22 9.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 72.23 111.007 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 602' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 603' ' ' ASP . 70.1 mmtt -102.17 -55.03 2.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 74.52 109.33 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 603' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 602' ' ' LYS . 1.1 m-20 -39.94 -40.76 1.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 74.01 109.339 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 604' ' ' TRP . . . . . 0.535 ' CH2' HG21 ' A' ' 632' ' ' VAL . 0.4 OUTLIER -157.31 164.44 37.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 74.02 107.991 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 605' ' ' LYS . . . . . 0.403 ' O ' ' SD ' ' A' ' 623' ' ' MET . 6.5 ptpt -92.13 163.41 27.3 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 73.53 109.309 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 606' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 161.09 39.19 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.513 1.797 . . . . 74.13 111.015 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 607' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 622' ' ' GLN . . . -123.55 -59.62 0.19 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.539 1.149 . . . . 71.25 110.989 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 608' ' ' GLY . . . . . . . . . . . . . . . 148.23 148.23 4.7 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.021 -0.832 . . . . 65.24 111.021 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 609' ' ' VAL . . . . . 0.411 ' CG1' HG12 ' A' ' 618' ' ' VAL . 11.8 t -56.27 131.23 19.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.535 0.785 . . . . 73.44 109.339 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 610' ' ' ILE . . . . . 0.676 ' CG2' ' CD1' ' A' ' 588' ' ' TYR . 0.8 OUTLIER -103.68 143.92 14.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 75.41 109.309 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -137.07 118.35 14.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 72.5 109.979 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 612' ' ' CYS . . . . . 0.483 ' HB2' ' CE2' ' A' ' 619' ' ' TRP . 42.2 t -49.01 118.45 2.63 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.502 1.126 . . . . 72.42 108.301 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -67.61 -28.83 68.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.577 1.173 . . . . 71.14 110.305 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 614' ' ' ASN . . . . . 0.4 ' ND2' HG11 ' A' ' 563' ' ' VAL . 47.7 m-20 -65.8 -39.36 90.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 71.14 109.286 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 615' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -123.47 -76.15 0.59 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 62.23 108.323 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 616' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 148.77 -18.28 1.25 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.493 1.121 . . . . 72.21 110.961 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -42.7 102.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 0.74 . . . . 75.11 110.258 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 618' ' ' VAL . . . . . 0.411 HG12 ' CG1' ' A' ' 609' ' ' VAL . 86.2 t -55.66 109.31 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.171 . . . . 74.43 109.335 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 619' ' ' TRP . . . . . 0.527 ' NE1' ' CE ' ' A' ' 638' ' ' MET . 30.3 m0 -66.9 -54.75 19.08 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.973 -1.121 . . . . 74.22 107.973 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 620' ' ' GLY . . . . . . . . . . . . . . . -178.82 -96.83 0.1 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.515 1.134 . . . . 60.44 111.008 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 621' ' ' LEU . . . . . 0.535 ' C ' ' CD2' ' A' ' 621' ' ' LEU . 0.0 OUTLIER -162.74 170.72 17.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 0.761 . . . . 71.43 109.321 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 622' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 607' ' ' GLY . 0.6 OUTLIER -101.9 157.62 16.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 75.15 110.295 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 623' ' ' MET . . . . . 0.513 ' SD ' ' CE2' ' A' ' 604' ' ' TRP . 9.8 mmt -140.83 149.87 42.56 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.51 1.132 . . . . 71.22 110.993 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 624' ' ' ILE . . . . . 0.529 ' CD1' ' N ' ' A' ' 624' ' ' ILE . 2.7 mp -121.46 124.97 72.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 73.44 109.271 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 625' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -131.82 111.65 11.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 74.21 111.017 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 626' ' ' LYS . . . . . 0.507 ' O ' ' CB ' ' A' ' 627' ' ' SER . 0.0 OUTLIER 63.74 21.35 12.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 73.44 109.305 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 627' ' ' SER . . . . . 0.507 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.2 p 85.66 37.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 63.15 109.955 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 628' ' ' VAL . . . . . 0.512 ' CG1' ' CD2' ' A' ' 630' ' ' LEU . 54.6 t -124.9 114.38 40.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 71.31 109.27 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 3.4 mmmm -75.31 100.35 4.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 74.14 109.286 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 630' ' ' LEU . . . . . 0.567 HD12 ' CD2' ' A' ' 662' ' ' PHE . 32.6 mt -119.0 111.63 37.0 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 74.32 109.274 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 631' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 138.51 23.05 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.494 1.786 . . . . 70.03 110.987 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 632' ' ' VAL . . . . . 0.535 HG21 ' CH2' ' A' ' 604' ' ' TRP . 31.0 t -100.09 89.08 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 74.12 109.267 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 633' ' ' LEU . . . . . 0.484 HD21 ' CE2' ' A' ' 584' ' ' PHE . 0.1 OUTLIER -91.3 171.35 9.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 74.22 109.285 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 634' ' ' LYS . . . . . 0.581 ' CE ' ' CG ' ' A' ' 636' ' ' ARG . 1.5 ptmt -111.63 -171.39 1.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 75.51 109.324 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 635' ' ' VAL . . . . . 0.565 HG11 ' CD1' ' A' ' 652' ' ' TRP . 1.3 p -106.74 -44.31 7.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 74.22 109.259 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 636' ' ' ARG . . . . . 0.581 ' CG ' ' CE ' ' A' ' 634' ' ' LYS . 2.9 ptp180 -60.15 -14.49 17.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 73.41 110.266 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 1.6 t -108.47 -16.11 14.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 72.11 109.988 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 638' ' ' MET . . . . . 0.527 ' CE ' ' NE1' ' A' ' 619' ' ' TRP . 34.9 mmt -106.41 122.35 46.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 71.35 110.981 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 639' ' ' LEU . . . . . 0.478 HD12 ' CG ' ' A' ' 646' ' ' ARG . 0.3 OUTLIER -86.29 146.71 26.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 73.23 109.355 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 640' ' ' LEU . . . . . 0.422 ' N ' HD13 ' A' ' 639' ' ' LEU . 12.5 mt -114.33 95.47 5.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 71.12 109.331 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -73.93 126.19 29.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 73.42 110.277 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 642' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -138.83 159.98 64.93 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 74.55 110.38 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 1.22 8.01 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.509 1.794 . . . . 74.02 111.015 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 644' ' ' GLN . . . . . 0.433 ' NE2' ' O ' ' A' ' 546' ' ' GLN . 20.2 mt-30 -105.41 -10.67 16.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 73.42 110.285 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 124.46 134.69 4.28 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.514 1.134 . . . . 73.53 111.003 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 646' ' ' ARG . . . . . 0.478 ' CG ' HD12 ' A' ' 639' ' ' LEU . 7.2 mtm105 -44.31 148.84 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 0.729 . . . . 74.14 110.316 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 647' ' ' ILE . . . . . . . . . . . . . 20.9 mt -138.72 138.82 41.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 75.34 109.296 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 648' ' ' GLN . . . . . 0.477 ' CG ' HG22 ' A' ' 557' ' ' ILE . 0.1 OUTLIER -135.13 110.78 9.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 71.14 110.292 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 649' ' ' ALA . . . . . 0.418 ' CB ' ' HB2' ' A' ' 654' ' ' ARG . . . -106.54 165.72 11.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 72.12 109.319 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 11.9 mmtt -96.82 -32.77 11.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 74.21 109.302 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 18.7 mmmt -124.29 144.52 49.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 74.54 109.289 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 652' ' ' TRP . . . . . 0.694 ' CE3' ' CG ' ' A' ' 577' ' ' HIS . 42.5 m95 -61.53 -17.04 53.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 72.44 108.002 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 12.6 t -63.21 -12.97 32.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 73.4 110.016 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 654' ' ' ARG . . . . . 0.418 ' HB2' ' CB ' ' A' ' 649' ' ' ALA . 10.4 mmt180 -104.91 -26.62 12.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 75.13 110.3 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 655' ' ' VAL . . . . . 0.581 HG13 ' CE2' ' A' ' 657' ' ' PHE . 2.2 t -42.01 129.38 2.61 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.102 . . . . 71.02 109.289 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 656' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -52.76 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.49 1.784 . . . . 74.12 110.982 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 657' ' ' PHE . . . . . 0.581 ' CE2' HG13 ' A' ' 655' ' ' VAL . 18.0 p90 -61.7 149.12 40.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.439 1.087 . . . . 72.32 110.944 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -84.71 146.37 27.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 73.41 109.992 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 659' ' ' VAL . . . . . 0.526 HG22 ' CE1' ' A' ' 657' ' ' PHE . 1.7 t -122.75 96.52 45.28 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 63.25 109.271 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 660' ' ' PRO . . . . . 0.447 ' O ' ' CB ' ' A' ' 570' ' ' ARG . 18.3 Cg_endo -75.0 147.38 33.85 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.474 1.776 . . . . 71.43 111.035 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 10.0 p30 -59.08 162.56 4.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 74.42 109.34 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 662' ' ' PHE . . . . . 0.609 ' CE2' ' ND1' ' A' ' 667' ' ' HIS . 29.8 t80 -81.4 110.38 16.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 74.21 110.985 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 663' ' ' ASP . . . . . 0.423 ' O ' ' CB ' ' A' ' 667' ' ' HIS . 80.5 m-20 -71.2 109.14 5.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 74.33 109.3 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 664' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -79.46 -26.93 41.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 73.33 110.982 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 15.1 mt -76.31 -40.62 51.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 65.0 109.273 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -79.28 -48.68 13.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 74.42 110.293 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 667' ' ' HIS . . . . . 0.609 ' ND1' ' CE2' ' A' ' 662' ' ' PHE . 6.3 t60 -55.67 -44.92 77.71 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.529 1.143 . . . . 73.41 109.579 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 668' ' ' CYS . . . . . . . . . . . . . 42.9 t -68.87 -30.88 69.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 71.15 108.272 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -75.64 -11.57 60.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 71.31 109.346 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 670' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -115.73 -4.23 12.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 75.3 110.31 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 671' ' ' ASN . . . . . 0.46 ' ND2' ' CD2' ' A' ' 667' ' ' HIS . 1.2 m-80 -105.85 -17.99 14.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 74.14 109.32 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 10.9 mt -99.8 -174.96 2.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 73.44 109.31 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -125.14 8.7 7.97 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.483 1.114 . . . . 74.42 110.001 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -60.16 -20.84 60.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 64.23 109.316 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 675' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -77.75 -66.1 0.88 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 74.34 109.278 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 676' ' ' SER . . . . . . . . . . . . . 5.0 p -164.06 175.25 10.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 74.44 109.983 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -115.23 -40.51 3.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 75.4 109.318 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 28.1 t0 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 75.11 109.286 179.961 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 679' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.019 -0.832 . . . . 74.54 111.019 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 165.68 30.81 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.48 1.779 . . . . 74.44 110.992 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -72.81 163.96 27.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 64.12 109.603 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 545' ' ' MET . . . . . . . . . . . . . 34.3 mmm -97.78 68.95 2.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 72.25 111.006 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 546' ' ' GLN . . . . . 0.539 ' O ' ' CG ' ' A' ' 547' ' ' PHE . 5.6 mt-30 -99.42 164.42 12.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.122 . . . . 72.42 110.277 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 547' ' ' PHE . . . . . 0.539 ' CG ' ' O ' ' A' ' 546' ' ' GLN . 93.8 m-85 -163.13 96.06 1.09 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 71.42 111.0 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 548' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 145.04 31.03 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.471 1.774 . . . . 73.11 111.044 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 28.0 m -54.92 -43.97 70.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.108 . . . . 75.11 109.285 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -57.1 -18.68 15.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 74.44 110.267 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -101.48 -22.89 14.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 74.1 109.601 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 552' ' ' VAL . . . . . 0.464 ' CG2' ' HB3' ' A' ' 657' ' ' PHE . 55.3 t -88.78 129.67 39.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 73.44 109.338 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -117.86 148.76 41.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 74.1 110.32 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 1.2 mt -92.06 114.08 26.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 74.21 109.303 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 555' ' ' LEU . . . . . 0.465 HD23 ' N ' ' A' ' 562' ' ' ALA . 0.2 OUTLIER -135.06 177.26 7.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 71.52 109.314 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 556' ' ' CYS . . . . . 0.545 ' O ' ' N ' ' A' ' 560' ' ' MET . 5.3 t -102.51 102.55 12.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.013 -0.994 . . . . 73.32 110.881 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 557' ' ' ILE . . . . . 0.491 ' HA ' ' CD1' ' A' ' 639' ' ' LEU . 1.3 pt -34.65 -34.21 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 73.14 109.299 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 558' ' ' ASN . . . . . 0.515 ' N ' ' O ' ' A' ' 556' ' ' CYS . 5.1 m-20 -73.95 -62.02 1.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 74.41 109.311 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 559' ' ' CYS . . . . . 0.496 ' O ' ' HB2' ' A' ' 560' ' ' MET . 1.7 m -80.59 -67.98 0.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 61.02 108.279 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 560' ' ' MET . . . . . 0.545 ' N ' ' O ' ' A' ' 556' ' ' CYS . 25.0 mtm 78.26 45.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 73.11 111.04 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 561' ' ' VAL . . . . . 0.523 ' O ' ' CB ' ' A' ' 562' ' ' ALA . 1.0 OUTLIER -104.95 -4.79 9.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 75.53 109.323 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 562' ' ' ALA . . . . . 0.523 ' CB ' ' O ' ' A' ' 561' ' ' VAL . . . 85.78 101.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 75.25 109.337 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 1.7 m -99.71 -6.2 9.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 74.32 109.311 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -179.92 -160.22 25.05 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.505 1.128 . . . . 71.44 110.999 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 565' ' ' HIS . . . . . . . . . . . . . 15.0 m-70 -127.22 148.72 50.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 0.768 . . . . 74.31 109.557 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . -74.64 -9.67 82.55 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.517 1.135 . . . . 75.12 111.009 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 15.9 t -106.5 7.58 30.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 0.758 . . . . 71.32 109.974 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -113.48 -11.9 13.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 74.14 109.35 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 569' ' ' LEU . . . . . 0.46 ' CD1' ' O ' ' A' ' 569' ' ' LEU . 0.2 OUTLIER -86.04 151.4 23.74 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 74.44 109.33 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 570' ' ' ARG . . . . . 0.45 ' HA ' ' CG2' ' A' ' 659' ' ' VAL . 92.0 mtt-85 -143.66 132.08 22.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 74.4 110.314 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 571' ' ' LYS . . . . . 0.42 ' CG ' ' HA ' ' A' ' 661' ' ' ASP . 4.1 ptpt -73.99 158.25 34.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 74.43 109.274 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 572' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 574' ' ' GLY . 2.7 t -109.34 102.34 13.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 64.31 109.34 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 573' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 572' ' ' VAL . 8.0 pt-20 38.67 30.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 74.2 110.29 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 574' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 572' ' ' VAL . . . 58.54 49.66 74.64 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.54 1.15 . . . . 33.24 110.989 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 575' ' ' THR . . . . . 0.531 ' O ' ' CG ' ' A' ' 576' ' ' HIS . 2.0 m -117.23 -35.89 3.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 0.749 . . . . 72.25 110.437 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 576' ' ' HIS . . . . . 0.531 ' CG ' ' O ' ' A' ' 575' ' ' THR . 6.0 m80 -173.64 109.51 0.16 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 74.14 109.598 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 577' ' ' HIS . . . . . 0.716 ' CD2' ' CE3' ' A' ' 652' ' ' TRP . 11.3 m80 -47.12 127.52 10.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 75.24 109.618 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 578' ' ' VAL . . . . . 0.4 HG23 ' CG2' ' A' ' 572' ' ' VAL . 23.1 m -133.23 108.41 12.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 75.14 109.309 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 579' ' ' ASN . . . . . 0.577 ' OD1' ' CE1' ' A' ' 584' ' ' PHE . 1.5 t-20 -76.55 115.27 16.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.533 1.146 . . . . 65.13 109.301 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 580' ' ' VAL . . . . . 0.471 ' CG2' HD22 ' A' ' 630' ' ' LEU . 3.6 t -85.65 138.72 18.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 75.2 109.327 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 581' ' ' ASN . . . . . 0.469 ' CB ' ' HB2' ' A' ' 584' ' ' PHE . 2.9 m120 178.06 129.27 0.21 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 73.32 109.278 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 582' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -34.44 3.86 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.488 1.783 . . . . 71.25 111.028 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 583' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -78.23 -3.05 40.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 74.44 109.316 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 584' ' ' PHE . . . . . 0.577 ' CE1' ' OD1' ' A' ' 579' ' ' ASN . 2.3 t80 -71.18 -32.43 68.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 75.33 110.978 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 585' ' ' SER . . . . . 0.562 ' HA ' ' CE2' ' A' ' 588' ' ' TYR . 72.8 m -59.38 -23.48 62.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 73.3 110.021 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -87.38 -15.7 37.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 74.24 109.29 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 587' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -94.24 2.07 55.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 74.32 111.013 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 588' ' ' TYR . . . . . 0.562 ' CD1' ' C ' ' A' ' 588' ' ' TYR . 2.1 p90 -161.17 163.55 31.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 64.42 110.996 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 589' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -131.09 126.46 35.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 73.32 109.301 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 13.2 t -72.79 141.42 16.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 74.13 109.283 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 591' ' ' SER . . . . . 0.402 ' OG ' ' N ' ' A' ' 592' ' ' ARG . 3.9 t -54.68 174.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 75.24 110.014 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 592' ' ' ARG . . . . . 0.402 ' N ' ' OG ' ' A' ' 591' ' ' SER . 66.0 ttt180 -79.03 -42.86 25.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 75.35 110.283 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.96 149.82 16.57 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 64.33 109.29 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -89.6 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.539 1.81 . . . . 55.04 111.011 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 595' ' ' VAL . . . . . 0.465 ' CG1' ' HG2' ' A' ' 606' ' ' PRO . 50.8 t -103.65 127.01 58.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 71.34 109.317 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 596' ' ' VAL . . . . . . . . . . . . . 2.9 t -134.63 78.95 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 72.42 109.303 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 597' ' ' ILE . . . . . 0.449 ' CD1' ' HB3' ' A' ' 606' ' ' PRO . 2.5 mt -143.28 154.24 16.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 72.54 109.284 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 598' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -62.82 -51.65 66.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 75.21 109.302 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -136.35 132.97 36.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 75.11 109.339 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 600' ' ' VAL . . . . . . . . . . . . . 2.5 t -82.97 148.1 5.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 64.41 109.291 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 601' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -117.19 165.44 13.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 73.22 111.005 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -97.57 -49.75 4.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 73.4 109.34 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -45.0 -40.14 6.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 72.34 109.24 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 604' ' ' TRP . . . . . 0.49 ' CE3' ' HB3' ' A' ' 623' ' ' MET . 0.6 OUTLIER -157.15 123.7 4.99 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.999 -1.112 . . . . 73.3 107.999 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 605' ' ' LYS . . . . . . . . . . . . . 9.4 pttt -86.61 165.33 33.38 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 74.23 109.234 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 606' ' ' PRO . . . . . 0.465 ' HG2' ' CG1' ' A' ' 595' ' ' VAL . 18.4 Cg_endo -75.04 -169.47 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.497 1.788 . . . . 75.05 111.008 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 607' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 622' ' ' GLN . . . -150.44 -74.27 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.503 1.127 . . . . 64.01 111.01 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 608' ' ' GLY . . . . . . . . . . . . . . . 176.53 161.36 25.32 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.009 -0.836 . . . . 74.54 111.009 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 10.9 t -63.8 131.87 29.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.504 0.767 . . . . 72.5 109.318 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 610' ' ' ILE . . . . . 0.47 HG13 ' CA ' ' A' ' 621' ' ' LEU . 0.6 OUTLIER -99.81 142.5 15.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 73.44 109.295 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -134.66 129.11 34.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 74.44 110.026 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 612' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 616' ' ' GLY . 38.1 t -59.12 108.06 0.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 75.33 108.291 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 7.7 ttt180 -64.95 -32.96 74.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 74.23 110.255 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 614' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -57.77 -48.38 79.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 72.34 109.251 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 615' ' ' CYS . . . . . 0.433 ' SG ' ' N ' ' A' ' 559' ' ' CYS . 3.1 m -117.83 -73.66 0.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 73.43 108.289 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 616' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 157.17 -23.77 0.46 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.461 1.101 . . . . 62.22 111.005 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -42.76 109.12 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 0.742 . . . . 74.03 110.313 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 11.6 t -58.12 131.12 22.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 71.32 109.321 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 619' ' ' TRP . . . . . 0.534 ' NE1' ' CE ' ' A' ' 638' ' ' MET . 45.1 m0 -88.04 -46.33 9.42 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.952 -1.129 . . . . 74.45 107.952 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 620' ' ' GLY . . . . . . . . . . . . . . . 166.09 -108.44 0.32 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.496 1.122 . . . . 64.04 110.988 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 621' ' ' LEU . . . . . 0.517 ' CD1' ' C ' ' A' ' 621' ' ' LEU . 0.4 OUTLIER -149.32 169.95 19.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 0.763 . . . . 75.22 109.354 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 622' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 607' ' ' GLY . 1.1 tt0 -105.21 138.69 41.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 73.32 110.278 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 623' ' ' MET . . . . . 0.49 ' HB3' ' CE3' ' A' ' 604' ' ' TRP . 16.6 mmm -131.37 133.06 44.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 72.44 111.036 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 624' ' ' ILE . . . . . 0.401 ' N ' HD13 ' A' ' 624' ' ' ILE . 5.2 mp -99.98 137.71 26.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 75.23 109.306 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 625' ' ' TYR . . . . . 0.473 ' O ' ' CD2' ' A' ' 625' ' ' TYR . 15.0 t80 -136.77 105.02 5.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 73.51 110.975 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 626' ' ' LYS . . . . . 0.511 ' O ' ' CB ' ' A' ' 627' ' ' SER . 6.7 mmpt? 70.73 21.7 5.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 74.35 109.336 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 627' ' ' SER . . . . . 0.511 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.2 p 85.58 39.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 74.24 110.006 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 628' ' ' VAL . . . . . 0.462 HG12 ' CD2' ' A' ' 630' ' ' LEU . 43.5 t -129.39 110.48 20.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 74.44 109.294 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm -68.42 99.46 0.96 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 74.12 109.311 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 630' ' ' LEU . . . . . 0.568 HD13 ' CE1' ' A' ' 662' ' ' PHE . 46.0 mt -115.3 111.86 44.24 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 73.51 109.3 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 631' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 140.79 25.83 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.473 1.775 . . . . 73.11 110.998 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 632' ' ' VAL . . . . . 0.437 HG22 ' CG ' ' A' ' 623' ' ' MET . 5.5 t -106.27 99.98 9.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 72.43 109.302 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 633' ' ' LEU . . . . . 0.564 ' CD1' ' N ' ' A' ' 633' ' ' LEU . 0.0 OUTLIER -104.54 171.31 7.4 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.123 . . . . 74.31 109.271 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 634' ' ' LYS . . . . . 0.478 ' CD ' ' O ' ' A' ' 619' ' ' TRP . 0.5 OUTLIER -97.93 -172.3 2.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 74.55 109.283 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 635' ' ' VAL . . . . . 0.518 ' HB ' ' CE2' ' A' ' 652' ' ' TRP . 4.2 p -109.1 -22.69 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 74.55 109.298 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 636' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.99 -12.49 55.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 73.42 110.286 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 11.0 m -102.25 -15.39 16.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.12 . . . . 74.35 110.04 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 638' ' ' MET . . . . . 0.534 ' CE ' ' NE1' ' A' ' 619' ' ' TRP . 34.6 mmt -109.81 128.8 55.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 74.44 110.982 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 639' ' ' LEU . . . . . 0.491 ' CD1' ' HA ' ' A' ' 557' ' ' ILE . 0.7 OUTLIER -95.81 150.85 19.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 71.25 109.307 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 640' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -113.41 94.75 5.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 75.15 109.311 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . 0.437 ' HB2' ' CD1' ' A' ' 555' ' ' LEU . 7.0 mt-10 -73.82 121.6 21.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 65.32 110.27 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 642' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -131.33 160.12 68.6 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 70.15 110.411 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 1.79 7.31 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.523 1.801 . . . . 71.3 110.974 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -108.96 -4.55 16.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 74.45 110.294 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 124.27 146.02 6.83 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.53 1.144 . . . . 54.21 111.039 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 646' ' ' ARG . . . . . 0.461 ' CG ' HD22 ' A' ' 639' ' ' LEU . 55.2 mtm-85 -55.81 146.37 21.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 0.746 . . . . 75.43 110.332 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 647' ' ' ILE . . . . . 0.496 HD13 ' CE1' ' A' ' 547' ' ' PHE . 49.2 mt -136.24 121.51 27.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 71.12 109.27 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 648' ' ' GLN . . . . . 0.409 ' CG ' HG22 ' A' ' 557' ' ' ILE . 0.8 OUTLIER -120.83 109.77 15.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 74.55 110.32 179.921 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 649' ' ' ALA . . . . . . . . . . . . . . . -107.32 176.07 5.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.437 1.086 . . . . 74.02 109.298 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 28.4 mttm -124.25 1.62 8.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 73.34 109.277 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 651' ' ' LYS . . . . . 0.414 ' N ' ' HD3' ' A' ' 651' ' ' LYS . 0.7 OUTLIER -145.24 137.35 25.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 75.23 109.292 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 652' ' ' TRP . . . . . 0.716 ' CE3' ' CD2' ' A' ' 577' ' ' HIS . 65.0 m95 -66.98 -12.33 59.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 74.41 108.0 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 47.1 t -72.04 -19.98 61.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 72.11 109.991 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 654' ' ' ARG . . . . . . . . . . . . . 10.3 mmt180 -103.06 -16.33 15.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 75.24 110.312 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 655' ' ' VAL . . . . . 0.571 HG12 ' CZ ' ' A' ' 657' ' ' PHE . 2.2 t -40.23 132.97 1.57 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 75.02 109.287 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 656' ' ' PRO . . . . . 0.461 ' HB2' ' CB ' ' A' ' 547' ' ' PHE . 18.4 Cg_endo -75.0 -53.94 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.514 1.797 . . . . 73.35 111.005 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 657' ' ' PHE . . . . . 0.571 ' CZ ' HG12 ' A' ' 655' ' ' VAL . 49.6 p90 -66.5 172.15 4.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 75.43 111.009 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -120.46 150.05 41.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 71.32 109.969 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 659' ' ' VAL . . . . . 0.45 ' CG2' ' HA ' ' A' ' 570' ' ' ARG . 0.1 OUTLIER -149.29 115.3 3.63 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 74.2 109.317 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 660' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 173.68 14.09 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.531 1.806 . . . . 72.11 110.975 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 661' ' ' ASP . . . . . 0.42 ' HA ' ' CG ' ' A' ' 571' ' ' LYS . 1.0 OUTLIER -71.32 150.77 44.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 75.11 109.298 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 662' ' ' PHE . . . . . 0.568 ' CE1' HD13 ' A' ' 630' ' ' LEU . 64.1 t80 -63.85 110.88 2.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 75.43 110.981 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 663' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -81.44 118.5 22.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 72.21 109.316 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 664' ' ' PHE . . . . . 0.499 ' O ' ' CB ' ' A' ' 668' ' ' CYS . 7.2 t80 -74.14 -39.83 63.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 74.42 110.983 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 20.2 mt -62.5 -34.55 77.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 73.42 109.262 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 666' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 669' ' ' ALA . 1.4 tm0? -77.92 -65.69 0.94 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 73.43 110.305 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 667' ' ' HIS . . . . . 0.536 ' CG ' ' CZ ' ' A' ' 662' ' ' PHE . 2.1 t60 -47.84 -39.81 19.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 75.44 109.637 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 668' ' ' CYS . . . . . 0.499 ' CB ' ' O ' ' A' ' 664' ' ' PHE . 50.6 t -68.27 -35.74 78.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 74.41 108.301 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 669' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 666' ' ' GLN . . . -71.32 -11.52 60.95 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.136 . . . . 73.11 109.287 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 670' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -115.83 -2.33 12.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 74.44 110.289 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 671' ' ' ASN . . . . . 0.41 ' ND2' ' CD2' ' A' ' 667' ' ' HIS . 1.6 m-80 -108.62 -15.5 14.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 52.2 109.3 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 16.1 mt -102.78 -174.94 2.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 74.32 109.332 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 41.3 m -121.93 6.09 9.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 72.44 109.964 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -53.1 -25.33 12.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 73.42 109.265 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 675' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -87.98 -70.2 0.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 74.22 109.291 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 676' ' ' SER . . . . . . . . . . . . . 1.8 m -154.86 165.23 37.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 71.31 110.011 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 677' ' ' LEU . . . . . 0.529 ' CD1' ' N ' ' A' ' 677' ' ' LEU . 1.9 mp -87.16 -47.42 8.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 75.02 109.307 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 34.5 t0 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.15 . . . . 64.42 109.345 179.959 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 679' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.997 -0.841 . . . . 52.15 110.997 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 164.36 33.56 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.475 1.777 . . . . 74.21 110.997 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 24.9 m170 -65.99 161.54 21.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 74.43 109.585 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 545' ' ' MET . . . . . 0.515 ' C ' ' CE1' ' A' ' 547' ' ' PHE . 77.5 mtp -124.43 66.44 1.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 75.53 111.03 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 546' ' ' GLN . . . . . 0.593 ' C ' ' CD1' ' A' ' 547' ' ' PHE . 10.1 mt-30 -121.41 139.11 53.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 73.13 110.272 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 547' ' ' PHE . . . . . 0.593 ' CD1' ' C ' ' A' ' 546' ' ' GLN . 0.1 OUTLIER -159.28 101.77 1.54 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 75.4 110.999 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 548' ' ' PRO . . . . . 0.45 ' HG2' ' CG ' ' A' ' 551' ' ' HIS . 18.2 Cg_endo -75.03 140.67 25.64 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.504 1.792 . . . . 75.2 111.022 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 33.7 m -52.47 -46.43 47.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 63.33 109.307 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -54.03 -24.19 16.19 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 73.41 110.298 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 551' ' ' HIS . . . . . 0.45 ' CG ' ' HG2' ' A' ' 548' ' ' PRO . 23.2 m170 -98.24 -24.15 15.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 65.1 109.597 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 552' ' ' VAL . . . . . 0.473 HG12 ' CD1' ' A' ' 657' ' ' PHE . 98.9 t -88.56 121.73 39.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 73.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 553' ' ' GLN . . . . . 0.582 ' OE1' ' CE1' ' A' ' 565' ' ' HIS . 9.5 tt0 -107.48 169.74 8.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 75.01 110.308 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 1.9 mt -107.7 106.54 16.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 75.04 109.313 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 555' ' ' LEU . . . . . 0.59 ' CD1' ' N ' ' A' ' 555' ' ' LEU . 0.1 OUTLIER -122.83 170.63 9.9 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.469 1.106 . . . . 75.41 109.283 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 556' ' ' CYS . . . . . 0.556 ' O ' ' N ' ' A' ' 560' ' ' MET . 3.6 t -102.54 110.11 21.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 114.976 -1.011 . . . . 62.34 110.923 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 557' ' ' ILE . . . . . 0.496 HG22 ' CG ' ' A' ' 648' ' ' GLN . 0.7 OUTLIER -36.46 -31.89 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 74.41 109.262 -179.911 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 558' ' ' ASN . . . . . 0.502 ' N ' ' O ' ' A' ' 556' ' ' CYS . 5.7 m-20 -86.53 -67.02 0.84 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 71.04 109.307 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 559' ' ' CYS . . . . . 0.469 ' O ' ' HB2' ' A' ' 560' ' ' MET . 3.9 m -62.53 -64.97 0.76 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 71.23 108.282 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 560' ' ' MET . . . . . 0.556 ' N ' ' O ' ' A' ' 556' ' ' CYS . 10.8 mtm 68.04 40.81 2.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 64.43 111.004 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 561' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -115.67 11.41 7.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 75.24 109.321 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 562' ' ' ALA . . . . . 0.442 ' HA ' ' HG ' ' A' ' 555' ' ' LEU . . . 65.8 113.43 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 74.33 109.318 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 563' ' ' VAL . . . . . 0.564 HG11 ' CD1' ' A' ' 587' ' ' TYR . 0.8 OUTLIER -108.69 -16.91 8.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 73.14 109.296 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 564' ' ' GLY . . . . . 0.554 ' O ' ' CD2' ' A' ' 565' ' ' HIS . . . -159.14 -141.03 3.04 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.444 1.09 . . . . 62.25 110.993 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 565' ' ' HIS . . . . . 0.582 ' CE1' ' OE1' ' A' ' 553' ' ' GLN . 38.7 m-70 -150.09 153.16 35.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 0.768 . . . . 75.22 109.598 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . -85.38 -0.9 88.26 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.496 1.123 . . . . 52.33 110.959 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 54.8 p -112.48 2.02 16.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 0.741 . . . . 74.14 109.965 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 568' ' ' ASP . . . . . 0.441 ' O ' ' NH1' ' A' ' 570' ' ' ARG . 1.6 m-20 -110.82 -18.8 13.03 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 72.22 109.307 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 569' ' ' LEU . . . . . 0.466 ' CB ' ' HA ' ' A' ' 579' ' ' ASN . 0.2 OUTLIER -77.71 157.13 30.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 74.22 109.272 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 570' ' ' ARG . . . . . 0.441 ' NH1' ' O ' ' A' ' 568' ' ' ASP . 8.0 mpt_? -132.14 -177.2 4.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 74.31 110.287 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 571' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 662' ' ' PHE . 15.1 ttmt -120.0 158.32 27.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 73.14 109.311 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 2.5 t -131.75 104.58 8.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 74.22 109.287 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 573' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 38.97 39.68 0.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 65.43 110.254 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 40.84 50.65 4.12 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.534 1.146 . . . . 62.04 110.974 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 575' ' ' THR . . . . . 0.537 ' O ' ' CG ' ' A' ' 576' ' ' HIS . 2.8 m -109.8 -50.63 2.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 0.754 . . . . 75.23 110.427 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 576' ' ' HIS . . . . . 0.537 ' CG ' ' O ' ' A' ' 575' ' ' THR . 29.6 m80 -163.53 106.68 0.99 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 75.14 109.579 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 577' ' ' HIS . . . . . 0.643 ' CD2' ' CG ' ' A' ' 652' ' ' TRP . 22.7 m-70 -41.08 133.48 2.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 73.31 109.572 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 578' ' ' VAL . . . . . . . . . . . . . 30.3 m -129.33 109.66 18.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 75.3 109.322 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 579' ' ' ASN . . . . . 0.466 ' HA ' ' CB ' ' A' ' 569' ' ' LEU . 1.6 t-20 -79.69 108.32 13.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 64.3 109.32 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 580' ' ' VAL . . . . . 0.55 ' CG1' ' CD2' ' A' ' 630' ' ' LEU . 2.5 t -82.31 140.21 16.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 55.13 109.271 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 581' ' ' ASN . . . . . 0.46 ' CB ' ' HB2' ' A' ' 584' ' ' PHE . 3.2 m120 179.42 128.39 0.23 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 74.44 109.325 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 582' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -33.54 4.54 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.504 1.792 . . . . 70.32 110.993 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 583' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -80.04 0.23 32.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 73.45 109.34 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 584' ' ' PHE . . . . . 0.561 ' CZ ' HD22 ' A' ' 633' ' ' LEU . 3.0 t80 -73.16 -30.19 63.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 75.31 110.962 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 585' ' ' SER . . . . . 0.497 ' HA ' ' CE2' ' A' ' 588' ' ' TYR . 30.0 p -57.94 -23.8 55.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 75.23 110.009 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -87.73 -17.85 30.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 74.31 109.317 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 587' ' ' TYR . . . . . 0.564 ' CD1' HG11 ' A' ' 563' ' ' VAL . 7.7 m-85 -93.74 4.55 53.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 75.03 110.994 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 588' ' ' TYR . . . . . 0.608 ' CD1' ' CG2' ' A' ' 610' ' ' ILE . 1.3 p90 -164.06 159.91 21.07 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.142 . . . . 75.41 111.004 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 589' ' ' ASN . . . . . 0.4 ' ND2' ' HB2' ' A' ' 613' ' ' ARG . 16.3 m-80 -135.88 129.43 32.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 70.53 109.33 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 590' ' ' VAL . . . . . 0.401 ' CG1' ' HA3' ' A' ' 608' ' ' GLY . 21.3 t -72.55 139.98 18.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 73.01 109.338 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 591' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 592' ' ' ARG . 13.3 t -50.16 146.18 5.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 75.51 110.04 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 592' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 591' ' ' SER . 0.0 OUTLIER -36.72 -59.17 0.7 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.169 . . . . 71.43 110.287 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 593' ' ' ASP . . . . . 0.405 ' O ' ' O ' ' A' ' 591' ' ' SER . 1.1 m-20 -58.26 153.49 36.62 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 72.34 109.309 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -85.01 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.527 1.804 . . . . 60.41 111.009 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 76.8 t -115.94 119.2 61.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 72.12 109.285 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 596' ' ' VAL . . . . . . . . . . . . . 2.2 t -134.15 88.89 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 75.22 109.291 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 597' ' ' ILE . . . . . 0.413 HG22 ' N ' ' A' ' 598' ' ' ASN . 3.5 mm -134.97 160.87 40.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 72.45 109.291 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 598' ' ' ASN . . . . . 0.413 ' N ' HG22 ' A' ' 597' ' ' ILE . 67.1 m-20 -73.1 -54.37 8.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 72.2 109.297 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.3 176.19 6.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 74.05 109.277 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 600' ' ' VAL . . . . . . . . . . . . . 60.4 t -118.33 154.03 20.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 74.24 109.308 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 601' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -106.23 164.95 11.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 73.31 111.03 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 602' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 603' ' ' ASP . 0.2 OUTLIER -99.9 -61.38 1.38 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 72.15 109.302 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 603' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 602' ' ' LYS . 4.1 m-20 -40.67 -33.95 0.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.1 . . . . 73.24 109.287 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 604' ' ' TRP . . . . . 0.549 ' CD2' ' SD ' ' A' ' 623' ' ' MET . 0.2 OUTLIER -157.2 174.99 14.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 74.43 107.98 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 605' ' ' LYS . . . . . . . . . . . . . 15.3 pttt -118.52 157.36 49.79 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 74.44 109.321 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 606' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 146.06 32.47 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.483 1.781 . . . . 72.22 111.015 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 607' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 622' ' ' GLN . . . -111.73 -93.21 2.13 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.485 1.116 . . . . 73.3 111.019 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 608' ' ' GLY . . . . . 0.401 ' HA3' ' CG1' ' A' ' 590' ' ' VAL . . . -160.74 144.6 10.08 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.005 -0.838 . . . . 65.41 111.005 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 609' ' ' VAL . . . . . 0.411 ' CG1' ' CG1' ' A' ' 618' ' ' VAL . 58.1 t -53.34 124.16 5.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.515 0.773 . . . . 74.12 109.267 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 610' ' ' ILE . . . . . 0.608 ' CG2' ' CD1' ' A' ' 588' ' ' TYR . 1.0 OUTLIER -93.76 145.09 8.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 74.41 109.306 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -142.82 117.38 9.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 75.42 109.951 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 612' ' ' CYS . . . . . 0.445 ' O ' ' N ' ' A' ' 616' ' ' GLY . 26.6 t -44.74 119.79 2.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 75.44 108.314 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 613' ' ' ARG . . . . . 0.4 ' HB2' ' ND2' ' A' ' 589' ' ' ASN . 10.1 ttt180 -69.36 -28.65 66.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 74.4 110.245 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 614' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -64.28 -39.62 94.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 72.0 109.325 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 615' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -121.69 -75.95 0.59 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 64.43 108.284 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 616' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 149.44 -18.64 1.16 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.496 1.123 . . . . 65.12 111.039 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -42.81 105.72 0.05 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 0.759 . . . . 63.23 110.294 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 618' ' ' VAL . . . . . 0.411 ' CG1' ' CG1' ' A' ' 609' ' ' VAL . 88.7 t -55.34 112.06 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 63.42 109.319 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 619' ' ' TRP . . . . . 0.562 ' CZ2' ' HE3' ' A' ' 638' ' ' MET . 36.7 m0 -70.14 -54.45 12.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 72.22 108.011 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 620' ' ' GLY . . . . . . . . . . . . . . . -179.37 -101.16 0.15 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.486 1.116 . . . . 64.54 110.993 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 621' ' ' LEU . . . . . 0.553 ' C ' ' CD2' ' A' ' 621' ' ' LEU . 0.0 OUTLIER -160.82 157.18 26.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 0.772 . . . . 74.44 109.289 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 622' ' ' GLN . . . . . 0.401 ' O ' ' N ' ' A' ' 607' ' ' GLY . 0.8 OUTLIER -86.27 137.17 32.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 71.34 110.309 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 623' ' ' MET . . . . . 0.549 ' SD ' ' CD2' ' A' ' 604' ' ' TRP . 5.2 mmt -117.67 153.55 33.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 73.42 110.961 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 624' ' ' ILE . . . . . 0.547 ' CD1' ' N ' ' A' ' 624' ' ' ILE . 2.3 mp -118.95 133.81 64.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.572 1.17 . . . . 73.35 109.304 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 625' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -139.08 107.38 5.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.122 . . . . 72.24 111.026 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 626' ' ' LYS . . . . . 0.563 ' HG2' ' CZ ' ' A' ' 664' ' ' PHE . 0.1 OUTLIER 67.96 18.51 9.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 73.2 109.311 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 627' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.1 p 85.43 43.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.122 . . . . 71.54 110.023 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 628' ' ' VAL . . . . . 0.457 HG11 ' CD2' ' A' ' 630' ' ' LEU . 43.9 t -129.13 131.27 68.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 73.15 109.316 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 10.3 mmmt -77.9 100.03 6.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 73.23 109.302 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 630' ' ' LEU . . . . . 0.55 ' CD2' ' CG1' ' A' ' 580' ' ' VAL . 26.0 mt -120.46 112.54 34.16 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 75.42 109.262 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 631' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 138.23 22.79 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.544 1.813 . . . . 74.5 111.006 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 632' ' ' VAL . . . . . 0.458 HG22 ' CG ' ' A' ' 623' ' ' MET . 59.5 t -105.72 93.67 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 73.51 109.285 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 633' ' ' LEU . . . . . 0.561 HD22 ' CZ ' ' A' ' 584' ' ' PHE . 0.0 OUTLIER -98.5 171.94 7.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 74.41 109.282 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 2.4 pttt -110.92 -173.65 2.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.097 . . . . 75.21 109.281 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 635' ' ' VAL . . . . . 0.407 ' O ' ' O ' ' A' ' 638' ' ' MET . 8.9 p -103.01 -23.01 4.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 73.45 109.323 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 636' ' ' ARG . . . . . . . . . . . . . 5.4 mtm180 -67.45 -39.01 85.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 73.4 110.313 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 637' ' ' SER . . . . . 0.403 ' C ' HG21 ' A' ' 557' ' ' ILE . 88.8 p -89.55 -6.32 56.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 74.54 109.998 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 638' ' ' MET . . . . . 0.562 ' HE3' ' CZ2' ' A' ' 619' ' ' TRP . 32.4 mmt -112.88 122.95 49.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.113 . . . . 74.22 111.014 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 639' ' ' LEU . . . . . . . . . . . . . 14.4 tp -98.2 138.07 36.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 75.51 109.365 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 640' ' ' LEU . . . . . 0.55 HD12 ' CE1' ' A' ' 657' ' ' PHE . 1.9 mm? -99.76 116.92 32.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.138 . . . . 74.51 109.263 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . 0.418 ' CD ' ' CD2' ' A' ' 555' ' ' LEU . 7.4 mt-10 -89.37 129.7 35.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 74.54 110.302 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 642' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.03 160.28 58.68 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 62.21 110.402 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 2.36 6.72 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.518 1.799 . . . . 75.42 111.033 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -109.48 -4.95 15.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 75.23 110.29 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 120.91 134.18 4.58 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.483 1.114 . . . . 71.33 110.972 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 23.9 mtm-85 -46.36 148.26 0.97 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 0.778 . . . . 74.03 110.336 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 647' ' ' ILE . . . . . . . . . . . . . 18.2 mt -133.6 121.54 41.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 75.32 109.299 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 648' ' ' GLN . . . . . 0.496 ' CG ' HG22 ' A' ' 557' ' ' ILE . 0.3 OUTLIER -122.0 108.9 13.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 75.51 110.319 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 649' ' ' ALA . . . . . 0.431 ' N ' ' OE1' ' A' ' 648' ' ' GLN . . . -106.35 -174.49 2.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 74.24 109.314 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 51.5 mttt -115.14 -9.79 12.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 75.21 109.283 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 651' ' ' LYS . . . . . 0.406 ' C ' ' CG1' ' A' ' 635' ' ' VAL . 2.6 mmmp? -142.43 160.57 40.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 74.33 109.334 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 652' ' ' TRP . . . . . 0.643 ' CG ' ' CD2' ' A' ' 577' ' ' HIS . 22.2 m95 -80.23 -5.38 56.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 74.54 107.955 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 2.2 t -68.05 -13.75 62.44 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.472 1.107 . . . . 75.34 110.011 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 654' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 655' ' ' VAL . 9.0 mmt180 -109.55 -16.49 13.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 75.02 110.32 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 655' ' ' VAL . . . . . 0.564 HG11 ' CE1' ' A' ' 657' ' ' PHE . 2.5 t -40.19 126.93 1.7 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 74.43 109.308 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 656' ' ' PRO . . . . . 0.523 ' HB2' ' CG ' ' A' ' 547' ' ' PHE . 18.2 Cg_endo -75.01 -49.6 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.445 1.761 . . . . 74.52 110.926 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 657' ' ' PHE . . . . . 0.564 ' CE1' HG11 ' A' ' 655' ' ' VAL . 40.4 p90 -67.84 173.16 4.62 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.468 1.105 . . . . 74.11 111.005 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -121.26 149.98 42.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 74.25 110.008 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 659' ' ' VAL . . . . . 0.43 ' CG2' ' C ' ' A' ' 570' ' ' ARG . 0.2 OUTLIER -150.36 106.52 3.14 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 52.11 109.319 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 660' ' ' PRO . . . . . 0.411 ' O ' ' N ' ' A' ' 571' ' ' LYS . 18.3 Cg_endo -75.04 177.69 8.27 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.519 1.8 . . . . 71.25 111.029 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -58.58 161.01 4.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 75.25 109.264 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 662' ' ' PHE . . . . . 0.593 ' CZ ' ' CG ' ' A' ' 667' ' ' HIS . 34.8 t80 -78.5 121.76 25.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 73.54 110.987 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 663' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -79.19 107.03 11.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 72.54 109.29 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 664' ' ' PHE . . . . . 0.563 ' CZ ' ' HG2' ' A' ' 626' ' ' LYS . 13.3 t80 -74.54 -22.73 58.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 72.54 110.987 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 21.9 mt -76.18 -47.46 24.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 75.52 109.334 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 12.2 tp60 -70.24 -56.96 5.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 75.24 110.309 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 667' ' ' HIS . . . . . 0.593 ' CG ' ' CZ ' ' A' ' 662' ' ' PHE . 5.0 t60 -50.47 -48.06 56.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 73.41 109.606 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 668' ' ' CYS . . . . . 0.46 ' CB ' ' O ' ' A' ' 664' ' ' PHE . 52.4 t -63.24 -28.25 69.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 64.25 108.283 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -81.71 -11.57 58.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 64.25 109.323 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 670' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -115.76 -2.15 12.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 75.14 110.283 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 671' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 667' ' ' HIS . 1.1 m-80 -102.96 -52.37 3.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 71.35 109.274 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 672' ' ' LEU . . . . . 0.412 ' N ' ' CD2' ' A' ' 672' ' ' LEU . 0.8 OUTLIER -82.78 -172.45 4.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 75.53 109.311 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 1.7 m -132.94 39.03 3.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 63.12 110.004 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -61.7 -19.83 62.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 70.42 109.306 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 675' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.23 -62.21 1.49 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 74.12 109.345 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 676' ' ' SER . . . . . . . . . . . . . 1.5 m -169.17 174.46 6.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 61.44 110.042 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -115.53 -58.65 2.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 61.31 109.308 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 22.4 t70 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 74.04 109.292 -179.978 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 679' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 N-CA-C 111.019 -0.832 . . . . 71.31 111.019 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 143.87 29.63 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.443 1.76 . . . . 72.04 110.992 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 41.0 m-70 -126.67 16.97 7.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 74.22 109.631 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 545' ' ' MET . . . . . . . . . . . . . 37.5 mtp 51.01 37.76 18.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 75.11 111.0 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 546' ' ' GLN . . . . . 0.593 ' C ' ' CD1' ' A' ' 547' ' ' PHE . 21.3 mt-30 -118.23 159.29 23.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 75.43 110.339 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 547' ' ' PHE . . . . . 0.593 ' CD1' ' C ' ' A' ' 546' ' ' GLN . 0.2 OUTLIER -156.45 96.31 2.24 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 73.54 111.028 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 548' ' ' PRO . . . . . 0.493 ' HG2' ' CG ' ' A' ' 551' ' ' HIS . 18.5 Cg_endo -74.93 141.47 26.91 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.554 1.818 . . . . 63.21 111.06 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 20.3 m -52.6 -45.8 48.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 73.15 109.281 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -55.0 -24.63 25.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 71.04 110.286 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 551' ' ' HIS . . . . . 0.493 ' CG ' ' HG2' ' A' ' 548' ' ' PRO . 23.5 m170 -96.68 -22.79 16.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 73.03 109.62 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 552' ' ' VAL . . . . . 0.57 HG13 ' CD2' ' A' ' 657' ' ' PHE . 83.4 t -89.09 109.38 20.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 72.53 109.32 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -97.04 169.88 9.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 74.51 110.281 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 554' ' ' LEU . . . . . 0.402 ' N ' HD11 ' A' ' 555' ' ' LEU . 3.5 mt -110.73 106.8 16.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 71.42 109.3 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 555' ' ' LEU . . . . . 0.615 ' CD1' ' N ' ' A' ' 555' ' ' LEU . 0.0 OUTLIER -123.64 170.9 9.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 75.41 109.33 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 556' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' ' 559' ' ' CYS . 18.1 t -97.78 106.13 18.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.01 -0.995 . . . . 72.44 110.87 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 557' ' ' ILE . . . . . 0.491 ' CD1' ' O ' ' A' ' 636' ' ' ARG . 1.3 pt -37.03 -33.24 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 72.32 109.331 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 558' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 556' ' ' CYS . 7.5 m-20 -83.69 -49.05 9.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 72.24 109.314 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 559' ' ' CYS . . . . . 0.516 ' O ' ' N ' ' A' ' 561' ' ' VAL . 3.8 m -123.15 70.52 1.03 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 72.42 108.285 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 560' ' ' MET . . . . . 0.465 ' N ' ' O ' ' A' ' 556' ' ' CYS . 6.4 mtm -61.66 72.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 64.33 110.97 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 561' ' ' VAL . . . . . 0.516 ' N ' ' O ' ' A' ' 559' ' ' CYS . 1.0 OUTLIER -110.88 -8.67 11.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 64.22 109.294 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 562' ' ' ALA . . . . . 0.467 ' CB ' ' O ' ' A' ' 561' ' ' VAL . . . 81.85 107.46 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 72.22 109.302 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 563' ' ' VAL . . . . . 0.471 ' HA ' ' CD2' ' A' ' 587' ' ' TYR . 0.5 OUTLIER -106.13 -8.77 10.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 74.54 109.258 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -172.11 -149.79 6.87 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.462 1.101 . . . . 73.33 110.981 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 565' ' ' HIS . . . . . . . . . . . . . 20.6 m80 -143.94 146.23 32.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 0.751 . . . . 75.41 109.606 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 566' ' ' GLY . . . . . 0.498 ' O ' ' CD1' ' A' ' 569' ' ' LEU . . . -66.46 -24.39 72.32 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.462 1.101 . . . . 62.2 110.998 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 2.6 p -98.06 7.93 45.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 0.769 . . . . 64.12 109.993 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -111.79 -17.46 12.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 75.3 109.289 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 569' ' ' LEU . . . . . 0.514 ' C ' ' CD1' ' A' ' 569' ' ' LEU . 0.1 OUTLIER -87.9 170.05 11.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 75.01 109.297 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 570' ' ' ARG . . . . . 0.467 ' CD ' ' HA ' ' A' ' 662' ' ' PHE . 41.9 mtt180 -154.78 173.37 16.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 74.43 110.267 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 571' ' ' LYS . . . . . 0.483 ' HD3' ' CE1' ' A' ' 577' ' ' HIS . 31.9 mtmt -110.75 122.3 47.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 73.43 109.277 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 572' ' ' VAL . . . . . 0.533 HG12 ' CE3' ' A' ' 604' ' ' TRP . 2.8 t -77.85 117.08 22.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 74.32 109.295 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 573' ' ' GLU . . . . . 0.408 ' CG ' ' O ' ' A' ' 572' ' ' VAL . 9.6 pt-20 43.91 35.4 1.11 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 73.53 110.287 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 47.39 47.16 22.48 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.497 1.123 . . . . 55.25 111.001 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 1.3 m -113.51 -58.69 2.12 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.486 0.756 . . . . 72.54 110.385 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 13.8 m170 -138.54 149.14 45.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 71.55 109.617 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 577' ' ' HIS . . . . . 0.648 ' CG ' ' CE3' ' A' ' 652' ' ' TRP . 17.5 m-70 -73.98 106.87 5.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 72.12 109.617 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 578' ' ' VAL . . . . . 0.483 ' CG1' ' O ' ' A' ' 631' ' ' PRO . 19.0 m -110.31 120.71 61.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 75.12 109.295 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 579' ' ' ASN . . . . . 0.468 ' HA ' ' CB ' ' A' ' 569' ' ' LEU . 2.5 t-20 -92.04 120.34 32.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 75.45 109.316 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 580' ' ' VAL . . . . . . . . . . . . . 2.7 t -90.77 138.86 18.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 73.13 109.276 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 581' ' ' ASN . . . . . 0.447 ' OD1' ' N ' ' A' ' 584' ' ' PHE . 23.1 t-20 173.58 130.43 0.11 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 72.02 109.273 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 582' ' ' PRO . . . . . 0.424 ' HD2' ' ND2' ' A' ' 581' ' ' ASN . 18.3 Cg_endo -74.98 -27.54 9.97 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.52 1.8 . . . . 75.52 111.023 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 583' ' ' ASN . . . . . 0.593 ' O ' ' CD1' ' A' ' 587' ' ' TYR . 0.3 OUTLIER -78.55 -0.16 28.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 72.2 109.256 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 584' ' ' PHE . . . . . 0.535 ' O ' ' CD2' ' A' ' 588' ' ' TYR . 2.2 t80 -78.47 -29.23 46.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 71.32 110.962 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 86.4 p -61.97 -32.92 73.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 73.23 109.99 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -87.45 -8.84 56.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 73.54 109.279 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 587' ' ' TYR . . . . . 0.593 ' CD1' ' O ' ' A' ' 583' ' ' ASN . 8.8 m-30 -93.57 -11.53 31.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 74.24 111.037 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 588' ' ' TYR . . . . . 0.664 ' CD1' ' CG2' ' A' ' 610' ' ' ILE . 1.2 p90 -150.59 160.15 44.0 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 74.23 110.965 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 589' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -129.83 130.97 45.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.132 . . . . 74.22 109.293 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 24.8 t -72.2 132.1 33.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 75.04 109.315 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 3.8 m -50.15 154.77 1.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 73.12 109.979 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 23.8 ttm180 -46.46 -46.57 18.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 74.41 110.331 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.63 152.27 81.8 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.108 . . . . 73.44 109.331 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -86.99 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.486 1.782 . . . . 74.41 111.029 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 595' ' ' VAL . . . . . 0.467 ' CG2' ' O ' ' A' ' 607' ' ' GLY . 83.6 t -113.98 124.56 70.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 73.33 109.323 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 596' ' ' VAL . . . . . . . . . . . . . 2.1 t -125.3 82.55 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.528 1.143 . . . . 75.25 109.278 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 597' ' ' ILE . . . . . . . . . . . . . 2.2 mm -134.3 -44.7 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 72.34 109.267 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 598' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 70.42 24.72 4.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 65.3 109.3 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 4.4 tmtt? -155.24 129.32 8.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 72.33 109.312 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 600' ' ' VAL . . . . . . . . . . . . . 48.0 t -95.94 162.92 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 73.24 109.31 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 601' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -143.49 135.62 26.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 75.11 111.034 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 602' ' ' LYS . . . . . 0.406 ' N ' ' HD3' ' A' ' 602' ' ' LYS . 0.0 OUTLIER -92.27 36.75 0.99 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 74.31 109.305 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -138.49 -46.36 0.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 75.35 109.269 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 604' ' ' TRP . . . . . 0.61 ' CZ2' ' SD ' ' A' ' 623' ' ' MET . 0.2 OUTLIER -157.27 131.51 8.39 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.026 -1.101 . . . . 74.51 108.026 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 605' ' ' LYS . . . . . . . . . . . . . 9.0 ptpt -86.1 153.79 57.24 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.095 . . . . 64.43 109.257 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 606' ' ' PRO . . . . . 0.41 ' HG2' ' CG1' ' A' ' 595' ' ' VAL . 18.3 Cg_endo -74.98 -162.41 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.466 1.772 . . . . 71.44 111.023 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 607' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 622' ' ' GLN . . . -154.05 -99.28 0.17 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.502 1.126 . . . . 64.55 110.956 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 608' ' ' GLY . . . . . . . . . . . . . . . -149.78 143.41 10.74 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.968 -0.853 . . . . 65.22 110.968 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 41.1 t -51.84 125.34 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 0.78 . . . . 73.34 109.286 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 610' ' ' ILE . . . . . 0.664 ' CG2' ' CD1' ' A' ' 588' ' ' TYR . 0.6 OUTLIER -92.78 148.05 4.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 73.11 109.289 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.52 130.67 30.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 73.42 109.995 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 612' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 616' ' ' GLY . 46.3 t -59.15 109.19 0.8 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.556 1.16 . . . . 74.4 108.342 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 14.4 ttt-85 -69.76 -29.58 66.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 75.43 110.331 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 614' ' ' ASN . . . . . 0.431 ' ND2' ' CG2' ' A' ' 561' ' ' VAL . 77.1 m-20 -62.8 -35.55 80.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 73.12 109.286 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 615' ' ' CYS . . . . . . . . . . . . . 39.2 m -132.6 -74.77 0.5 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 75.33 108.304 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 616' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 160.71 -24.99 0.27 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.525 1.141 . . . . 73.13 111.026 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -42.23 105.55 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 0.758 . . . . 75.25 110.264 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 49.3 t -57.43 132.64 21.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 72.33 109.291 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 619' ' ' TRP . . . . . 0.438 ' O ' ' CD ' ' A' ' 634' ' ' LYS . 38.5 m0 -91.84 -41.5 10.6 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.036 -1.098 . . . . 75.53 108.036 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 620' ' ' GLY . . . . . . . . . . . . . . . 163.16 -114.64 0.61 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.487 1.117 . . . . 71.44 111.008 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 621' ' ' LEU . . . . . 0.508 ' CD2' ' O ' ' A' ' 622' ' ' GLN . 0.0 OUTLIER -149.39 154.66 39.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 0.782 . . . . 64.5 109.358 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 622' ' ' GLN . . . . . 0.508 ' O ' ' CD2' ' A' ' 621' ' ' LEU . 0.0 OUTLIER -82.26 135.89 35.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 71.32 110.312 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 623' ' ' MET . . . . . 0.61 ' SD ' ' CZ2' ' A' ' 604' ' ' TRP . 10.0 mtp -123.89 136.91 54.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 73.21 111.003 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 624' ' ' ILE . . . . . 0.402 HG21 ' N ' ' A' ' 625' ' ' TYR . 4.9 mp -103.42 154.75 5.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 75.44 109.29 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 625' ' ' TYR . . . . . 0.402 ' N ' HG21 ' A' ' 624' ' ' ILE . 15.6 t80 -159.63 122.19 3.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 72.0 110.985 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 626' ' ' LYS . . . . . 0.572 ' HG2' ' CZ ' ' A' ' 664' ' ' PHE . 0.0 OUTLIER 57.14 18.12 3.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.127 . . . . 75.12 109.301 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 627' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.2 p 85.12 37.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 73.21 109.97 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 628' ' ' VAL . . . . . 0.47 HG11 ' CG ' ' A' ' 630' ' ' LEU . 54.6 t -124.68 135.03 65.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 74.11 109.266 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 629' ' ' LYS . . . . . 0.446 ' NZ ' ' OE1' ' A' ' 622' ' ' GLN . 0.0 OUTLIER -83.98 100.76 11.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 74.43 109.284 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 630' ' ' LEU . . . . . 0.554 HD11 ' CE1' ' A' ' 662' ' ' PHE . 10.5 mt -125.44 111.41 25.89 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.429 1.081 . . . . 74.23 109.322 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 631' ' ' PRO . . . . . 0.483 ' O ' ' CG1' ' A' ' 578' ' ' VAL . 18.4 Cg_endo -74.99 163.19 35.85 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.493 1.786 . . . . 75.21 111.012 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 632' ' ' VAL . . . . . 0.467 HG22 ' CG1' ' A' ' 578' ' ' VAL . 25.3 t -125.08 91.61 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 75.31 109.311 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 633' ' ' LEU . . . . . 0.541 ' CD1' ' N ' ' A' ' 633' ' ' LEU . 0.0 OUTLIER -94.37 171.26 8.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 71.11 109.295 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 634' ' ' LYS . . . . . 0.438 ' CD ' ' O ' ' A' ' 619' ' ' TRP . 2.8 mtpt -100.7 -175.3 2.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 73.12 109.299 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 635' ' ' VAL . . . . . 0.538 ' HB ' ' CD1' ' A' ' 652' ' ' TRP . 2.2 p -102.63 -24.57 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 64.22 109.345 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 636' ' ' ARG . . . . . 0.491 ' O ' ' CD1' ' A' ' 557' ' ' ILE . 0.1 OUTLIER -83.13 -14.31 53.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 73.4 110.305 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 2.0 m -98.3 -12.21 21.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 75.53 110.036 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 638' ' ' MET . . . . . . . . . . . . . 32.6 mmt -115.3 126.71 54.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 71.14 111.003 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 639' ' ' LEU . . . . . 0.436 ' CD2' ' SD ' ' A' ' 560' ' ' MET . 14.7 tp -96.9 133.32 41.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 71.02 109.278 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 640' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -95.86 107.05 19.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 75.32 109.276 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -75.19 131.94 40.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 74.45 110.31 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 642' ' ' THR . . . . . . . . . . . . . 7.7 p -139.9 158.81 66.77 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 73.43 110.406 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -18.4 18.88 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.524 1.802 . . . . 74.42 110.986 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 644' ' ' GLN . . . . . 0.401 ' NE2' ' CE2' ' A' ' 547' ' ' PHE . 5.1 mt-30 -91.21 -5.56 54.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 61.22 110.325 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 124.27 129.21 3.39 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.445 1.091 . . . . 53.02 111.007 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 19.1 mtm180 -39.06 156.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 0.783 . . . . 74.21 110.341 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 647' ' ' ILE . . . . . . . . . . . . . 24.5 mt -138.54 123.54 22.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.143 . . . . 73.44 109.282 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 648' ' ' GLN . . . . . 0.458 ' CG ' HG23 ' A' ' 557' ' ' ILE . 1.1 tm0? -124.04 109.19 13.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 72.14 110.282 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 649' ' ' ALA . . . . . . . . . . . . . . . -110.88 177.9 4.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 72.53 109.356 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 650' ' ' LYS . . . . . 0.501 ' C ' ' CG1' ' A' ' 635' ' ' VAL . 8.5 mmtp -111.88 -16.95 13.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 62.45 109.321 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 20.6 mmmt -126.24 143.57 51.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 73.41 109.28 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 652' ' ' TRP . . . . . 0.648 ' CE3' ' CG ' ' A' ' 577' ' ' HIS . 65.1 m95 -67.2 -11.98 58.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 75.33 108.024 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 3.6 m -66.71 -10.09 43.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 74.4 109.995 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 654' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 655' ' ' VAL . 14.3 mmt180 -101.07 -27.98 12.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 75.24 110.327 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 655' ' ' VAL . . . . . 0.576 HG13 ' CD2' ' A' ' 657' ' ' PHE . 2.3 t -40.21 117.76 1.36 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 74.24 109.279 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 656' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -40.52 0.87 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.502 1.79 . . . . 73.44 110.974 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 657' ' ' PHE . . . . . 0.597 ' CE1' ' CG2' ' A' ' 659' ' ' VAL . 26.4 p90 -70.48 150.95 45.64 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.103 . . . . 74.25 110.984 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -80.02 140.43 36.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 74.54 109.961 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 659' ' ' VAL . . . . . 0.597 ' CG2' ' CE1' ' A' ' 657' ' ' PHE . 2.0 t -121.66 95.67 47.84 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 75.02 109.262 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 660' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 148.65 35.52 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.463 1.77 . . . . 72.53 110.95 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.11 143.85 57.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 64.44 109.299 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 662' ' ' PHE . . . . . 0.554 ' CE1' HD11 ' A' ' 630' ' ' LEU . 73.0 t80 -45.45 110.35 0.24 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 74.52 110.989 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 663' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -74.69 89.93 2.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 72.21 109.323 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 664' ' ' PHE . . . . . 0.572 ' CZ ' ' HG2' ' A' ' 626' ' ' LYS . 12.5 t80 -62.66 -27.3 69.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 75.32 110.988 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 14.4 mt -66.42 -45.37 80.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.108 . . . . 72.41 109.331 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 666' ' ' GLN . . . . . 0.414 ' O ' ' N ' ' A' ' 669' ' ' ALA . 25.2 tp60 -71.41 -56.87 5.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 74.12 110.317 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 667' ' ' HIS . . . . . 0.47 ' O ' ' ND2' ' A' ' 671' ' ' ASN . 3.3 t60 -47.97 -53.94 14.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 74.43 109.588 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 668' ' ' CYS . . . . . 0.402 ' O ' ' OD1' ' A' ' 671' ' ' ASN . 5.3 t -61.79 -26.74 68.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 72.24 108.332 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 669' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 666' ' ' GLN . . . -83.24 -11.4 57.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 71.24 109.292 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 670' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 666' ' ' GLN . 7.6 mt-10 -88.17 -17.21 31.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 74.14 110.276 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 671' ' ' ASN . . . . . 0.47 ' ND2' ' O ' ' A' ' 667' ' ' HIS . 0.7 OUTLIER -112.2 -35.95 5.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.522 1.139 . . . . 71.41 109.308 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 3.3 mt -83.37 -55.78 4.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 70.23 109.321 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 3.7 m 64.24 18.2 11.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 64.43 109.984 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -58.1 -25.75 61.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 64.45 109.297 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 675' ' ' LEU . . . . . 0.54 ' N ' ' CD2' ' A' ' 675' ' ' LEU . 0.8 OUTLIER -59.43 -66.67 0.47 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 75.24 109.321 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 676' ' ' SER . . . . . . . . . . . . . 11.6 m -170.22 148.46 3.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 72.2 109.983 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 677' ' ' LEU . . . . . 0.549 ' CD1' ' N ' ' A' ' 677' ' ' LEU . 1.6 mp -88.1 -43.99 11.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 74.23 109.286 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 19.0 t70 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 72.43 109.27 179.997 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 679' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.979 -0.848 . . . . 64.11 110.979 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 171.72 17.78 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.488 1.783 . . . . 75.1 111.005 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -82.86 159.09 22.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 73.34 109.623 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 545' ' ' MET . . . . . . . . . . . . . 22.6 mtp -90.51 67.14 6.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 63.44 110.987 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 546' ' ' GLN . . . . . 0.583 ' C ' ' CD1' ' A' ' 547' ' ' PHE . 8.7 mt-30 -110.32 169.89 8.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 73.13 110.332 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 547' ' ' PHE . . . . . 0.583 ' CD1' ' C ' ' A' ' 546' ' ' GLN . 69.2 m-85 -160.15 94.83 1.58 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 75.51 110.982 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 548' ' ' PRO . . . . . 0.451 ' HB2' ' CG ' ' A' ' 550' ' ' GLU . 18.1 Cg_endo -75.04 134.89 18.3 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.452 1.764 . . . . 73.33 110.98 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 549' ' ' VAL . . . . . 0.409 HG23 ' CB ' ' A' ' 567' ' ' SER . 18.3 m -48.01 -42.04 10.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 62.53 109.284 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 550' ' ' GLU . . . . . 0.451 ' CG ' ' HB2' ' A' ' 548' ' ' PRO . 3.3 pt-20 -54.71 -35.57 63.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.087 . . . . 75.01 110.308 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 17.6 m170 -81.82 -17.6 46.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 73.31 109.578 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 552' ' ' VAL . . . . . . . . . . . . . 85.9 t -96.19 130.47 44.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 73.52 109.298 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -118.67 139.59 51.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 75.33 110.328 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 2.3 mt -81.83 114.73 20.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 64.43 109.252 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 555' ' ' LEU . . . . . 0.519 HD23 ' CA ' ' A' ' 562' ' ' ALA . 0.2 OUTLIER -133.93 179.77 6.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 74.34 109.29 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 556' ' ' CYS . . . . . 0.543 ' O ' ' N ' ' A' ' 560' ' ' MET . 4.4 t -106.42 101.98 11.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 114.982 -1.008 . . . . 71.41 110.928 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 557' ' ' ILE . . . . . 0.481 ' C ' ' O ' ' A' ' 556' ' ' CYS . 1.2 pt -34.15 -35.15 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 74.31 109.296 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 558' ' ' ASN . . . . . 0.511 ' N ' ' O ' ' A' ' 556' ' ' CYS . 3.0 m-20 -74.42 -63.42 1.24 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 71.14 109.311 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 559' ' ' CYS . . . . . 0.466 ' O ' ' HB2' ' A' ' 560' ' ' MET . 2.1 m -76.26 -68.06 0.62 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 64.5 108.276 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 560' ' ' MET . . . . . 0.543 ' N ' ' O ' ' A' ' 556' ' ' CYS . 24.7 mtm 77.11 44.48 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 72.45 110.973 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 561' ' ' VAL . . . . . 0.499 ' O ' ' CB ' ' A' ' 562' ' ' ALA . 1.0 OUTLIER -109.56 -0.14 9.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 71.34 109.322 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 562' ' ' ALA . . . . . 0.519 ' CA ' HD23 ' A' ' 555' ' ' LEU . . . 83.62 106.72 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 70.1 109.335 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -104.48 -8.55 9.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 73.15 109.289 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -178.05 -163.04 28.99 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.474 1.109 . . . . 50.31 111.006 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 565' ' ' HIS . . . . . . . . . . . . . 45.0 m80 -121.76 140.84 51.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 0.749 . . . . 61.11 109.558 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . -70.81 -4.65 54.94 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.515 1.134 . . . . 74.13 111.03 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 567' ' ' SER . . . . . 0.409 ' CB ' HG23 ' A' ' 549' ' ' VAL . 42.9 p -115.92 10.79 15.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 0.771 . . . . 73.21 109.959 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -114.22 -11.95 12.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 73.04 109.324 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 569' ' ' LEU . . . . . 0.47 ' CB ' ' HA ' ' A' ' 579' ' ' ASN . 0.2 OUTLIER -87.6 158.14 18.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 75.41 109.262 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 570' ' ' ARG . . . . . 0.462 ' O ' ' CG2' ' A' ' 578' ' ' VAL . 6.3 mtp180 -156.8 137.12 12.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 75.24 110.333 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 571' ' ' LYS . . . . . 0.507 ' HE2' ' CE1' ' A' ' 577' ' ' HIS . 11.3 ptpt -78.11 158.78 28.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 63.02 109.312 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 572' ' ' VAL . . . . . 0.41 ' O ' ' C ' ' A' ' 573' ' ' GLU . 3.0 t -97.48 132.55 41.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 71.04 109.305 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 573' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 572' ' ' VAL . 16.2 pt-20 37.63 43.83 0.48 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 75.31 110.301 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 574' ' ' GLY . . . . . 0.479 ' HA2' ' CD ' ' A' ' 571' ' ' LYS . . . 42.3 54.03 4.76 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.492 1.12 . . . . 62.54 111.007 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 1.1 m -133.75 -78.68 0.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 0.749 . . . . 75.1 110.421 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -101.02 151.69 21.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 63.43 109.581 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 577' ' ' HIS . . . . . 0.745 ' CD2' ' CG ' ' A' ' 652' ' ' TRP . 57.3 m-70 -89.39 130.23 35.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 73.02 109.606 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 578' ' ' VAL . . . . . 0.462 ' CG2' ' O ' ' A' ' 570' ' ' ARG . 19.5 m -137.91 112.16 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 75.14 109.291 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 579' ' ' ASN . . . . . 0.494 ' OD1' ' CE1' ' A' ' 584' ' ' PHE . 1.7 t-20 -80.7 110.2 15.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 74.55 109.272 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 580' ' ' VAL . . . . . 0.476 ' CG1' ' CD2' ' A' ' 630' ' ' LEU . 2.4 t -85.7 138.25 19.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 62.03 109.299 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 581' ' ' ASN . . . . . 0.472 ' CB ' ' HB2' ' A' ' 584' ' ' PHE . 20.7 m-20 178.82 130.34 0.22 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 75.11 109.336 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 582' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -35.0 3.36 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.45 1.763 . . . . 74.04 110.988 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 583' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -78.54 -1.68 35.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 72.34 109.351 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 584' ' ' PHE . . . . . 0.58 ' O ' ' CD2' ' A' ' 588' ' ' TYR . 2.1 t80 -71.47 -31.87 67.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 72.31 111.045 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 585' ' ' SER . . . . . 0.547 ' HA ' ' CE2' ' A' ' 588' ' ' TYR . 13.2 t -59.12 -23.8 62.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 75.11 109.99 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -87.35 -15.76 37.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.153 . . . . 73.21 109.296 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 587' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -94.32 4.14 54.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 74.11 111.0 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 588' ' ' TYR . . . . . 0.58 ' CD2' ' O ' ' A' ' 584' ' ' PHE . 2.5 p90 -163.75 164.91 23.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 74.41 111.003 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 589' ' ' ASN . . . . . 0.433 ' ND2' ' C ' ' A' ' 588' ' ' TYR . 0.4 OUTLIER -133.13 119.04 19.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 74.43 109.264 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 8.9 t -72.67 153.86 7.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 74.34 109.294 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 591' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 592' ' ' ARG . 99.1 p -66.45 143.95 56.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 75.52 110.022 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 592' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 591' ' ' SER . 0.8 OUTLIER -36.93 -81.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 75.12 110.285 -179.923 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 593' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 592' ' ' ARG . 3.0 m-20 -39.77 150.57 0.25 Allowed Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 74.31 109.296 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -89.56 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.499 1.789 . . . . 75.34 110.981 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 595' ' ' VAL . . . . . 0.459 ' CG1' ' HG2' ' A' ' 606' ' ' PRO . 72.2 t -103.87 128.87 56.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 74.45 109.273 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 596' ' ' VAL . . . . . . . . . . . . . 2.2 t -136.81 80.39 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 74.53 109.238 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 597' ' ' ILE . . . . . 0.418 HG21 ' N ' ' A' ' 598' ' ' ASN . 4.2 mt -142.84 152.44 17.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 74.53 109.276 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 598' ' ' ASN . . . . . 0.418 ' N ' HG21 ' A' ' 597' ' ' ILE . 21.8 t-20 -67.78 -57.47 6.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 73.35 109.278 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 599' ' ' LYS . . . . . 0.402 ' HG2' ' N ' ' A' ' 600' ' ' VAL . 0.0 OUTLIER -103.11 -176.14 3.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.115 . . . . 71.44 109.298 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 600' ' ' VAL . . . . . 0.405 HG12 ' N ' ' A' ' 601' ' ' PHE . 78.9 t -139.44 155.32 25.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 70.3 109.309 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 601' ' ' PHE . . . . . 0.405 ' N ' HG12 ' A' ' 600' ' ' VAL . 54.0 m-85 -102.22 168.13 9.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 71.41 111.042 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 602' ' ' LYS . . . . . 0.43 ' C ' ' N ' ' A' ' 604' ' ' TRP . 0.1 OUTLIER -107.07 -61.39 1.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 72.44 109.292 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -43.15 -27.87 0.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 75.14 109.278 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 604' ' ' TRP . . . . . 0.608 ' CZ2' ' SD ' ' A' ' 623' ' ' MET . 0.3 OUTLIER -157.53 179.57 9.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 73.3 107.956 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 605' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.06 154.67 58.22 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 74.12 109.314 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 606' ' ' PRO . . . . . 0.459 ' HG2' ' CG1' ' A' ' 595' ' ' VAL . 18.3 Cg_endo -74.95 137.91 22.47 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.515 1.797 . . . . 74.44 110.969 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 607' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 622' ' ' GLN . . . -102.57 -123.07 5.19 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.517 1.136 . . . . 45.41 111.005 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 608' ' ' GLY . . . . . 0.402 ' O ' ' N ' ' A' ' 622' ' ' GLN . . . -143.48 155.74 26.23 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.992 -0.843 . . . . 71.34 110.992 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 19.2 t -53.77 135.6 15.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 0.747 . . . . 75.21 109.315 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 610' ' ' ILE . . . . . 0.471 HG13 ' CA ' ' A' ' 621' ' ' LEU . 0.8 OUTLIER -111.64 147.99 15.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 74.3 109.332 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 42.1 t -144.58 132.45 21.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 74.53 110.005 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 612' ' ' CYS . . . . . 0.407 ' O ' ' N ' ' A' ' 616' ' ' GLY . 14.6 t -58.51 115.24 2.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 72.0 108.326 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 9.0 ttt-85 -65.49 -31.88 73.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 62.24 110.29 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 614' ' ' ASN . . . . . 0.42 ' ND2' HG21 ' A' ' 561' ' ' VAL . 3.4 m120 -58.93 -46.73 87.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 74.22 109.348 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 615' ' ' CYS . . . . . 0.443 ' SG ' ' N ' ' A' ' 559' ' ' CYS . 0.0 OUTLIER -118.62 -76.46 0.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 71.42 108.276 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 616' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 142.27 44.7 0.05 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.513 1.133 . . . . 35.31 110.971 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -97.02 102.53 14.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 0.771 . . . . 74.34 110.295 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 54.4 t -49.31 97.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 74.45 109.291 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 619' ' ' TRP . . . . . 0.567 ' CE2' ' CE ' ' A' ' 638' ' ' MET . 43.3 m0 -63.72 -47.1 82.44 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.958 -1.127 . . . . 74.4 107.958 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 620' ' ' GLY . . . . . . . . . . . . . . . 169.22 -100.22 0.16 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.532 1.145 . . . . 74.25 111.002 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 621' ' ' LEU . . . . . 0.495 ' C ' ' CD2' ' A' ' 621' ' ' LEU . 0.0 OUTLIER -158.83 169.06 25.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 0.755 . . . . 64.03 109.284 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 622' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 607' ' ' GLY . 0.2 OUTLIER -96.11 161.55 13.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 75.45 110.278 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 623' ' ' MET . . . . . 0.608 ' SD ' ' CZ2' ' A' ' 604' ' ' TRP . 11.6 mtp -148.5 122.23 9.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 75.14 111.031 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 624' ' ' ILE . . . . . . . . . . . . . 4.8 mp -97.97 144.39 11.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 75.31 109.302 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 625' ' ' TYR . . . . . 0.439 ' CD1' ' HG2' ' A' ' 626' ' ' LYS . 15.4 t80 -150.83 108.95 3.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 75.12 110.951 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 626' ' ' LYS . . . . . 0.495 ' O ' ' CB ' ' A' ' 627' ' ' SER . 0.0 OUTLIER 67.74 20.34 9.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 71.1 109.314 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 627' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.3 p 85.6 39.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 71.34 110.036 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 628' ' ' VAL . . . . . 0.462 HG12 ' CG ' ' A' ' 630' ' ' LEU . 51.4 t -129.43 109.91 19.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 64.4 109.295 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 2.7 mmmm -68.84 99.62 1.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 71.32 109.346 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 630' ' ' LEU . . . . . 0.555 HD13 ' CE2' ' A' ' 662' ' ' PHE . 55.8 mt -117.68 111.62 39.4 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 75.02 109.266 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 631' ' ' PRO . . . . . 0.446 ' O ' ' CB ' ' A' ' 578' ' ' VAL . 18.4 Cg_endo -75.0 164.78 32.67 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.5 1.79 . . . . 74.42 111.001 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 632' ' ' VAL . . . . . 0.443 ' CG2' HG11 ' A' ' 578' ' ' VAL . 24.5 t -129.81 92.11 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 62.32 109.254 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 633' ' ' LEU . . . . . 0.562 ' CD1' ' N ' ' A' ' 633' ' ' LEU . 0.0 OUTLIER -95.49 171.47 8.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 74.33 109.31 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 7.9 mtmm -99.77 -169.86 1.81 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 75.41 109.329 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 635' ' ' VAL . . . . . 0.454 HG13 ' CA ' ' A' ' 651' ' ' LYS . 1.3 p -107.99 -20.66 6.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 73.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 636' ' ' ARG . . . . . . . . . . . . . 9.1 ptp180 -92.72 2.06 56.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 71.43 110.322 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 3.2 p -111.56 -20.04 12.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 73.5 109.974 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 638' ' ' MET . . . . . 0.567 ' CE ' ' CE2' ' A' ' 619' ' ' TRP . 35.1 mmt -105.67 146.89 29.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 75.33 111.006 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 639' ' ' LEU . . . . . 0.469 HD22 ' CD ' ' A' ' 646' ' ' ARG . 18.9 tp -107.24 153.26 22.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 74.31 109.276 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 640' ' ' LEU . . . . . 0.441 ' CD1' ' HD2' ' A' ' 656' ' ' PRO . 6.1 mt -121.22 99.68 6.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 74.05 109.283 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -73.74 120.63 19.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 73.23 110.272 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 642' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -130.56 160.09 67.81 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 74.54 110.412 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 1.06 8.14 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.467 1.772 . . . . 75.11 111.037 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -112.11 -1.56 15.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 75.11 110.295 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 118.91 141.83 6.68 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.487 1.117 . . . . 75.5 111.016 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 646' ' ' ARG . . . . . 0.469 ' CD ' HD22 ' A' ' 639' ' ' LEU . 22.8 mtm-85 -49.71 150.97 1.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 0.748 . . . . 74.51 110.308 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 647' ' ' ILE . . . . . . . . . . . . . 36.0 mt -137.36 129.78 42.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 75.51 109.298 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 648' ' ' GLN . . . . . 0.467 ' CG ' HG23 ' A' ' 557' ' ' ILE . 1.0 OUTLIER -125.81 110.7 14.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 74.32 110.297 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 649' ' ' ALA . . . . . . . . . . . . . . . -110.65 166.77 10.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 73.22 109.33 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 24.9 mttp -115.01 -0.37 13.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 75.12 109.296 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 651' ' ' LYS . . . . . 0.454 ' CA ' HG13 ' A' ' 635' ' ' VAL . 16.7 mtpt -137.99 128.73 26.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 75.35 109.337 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 652' ' ' TRP . . . . . 0.745 ' CG ' ' CD2' ' A' ' 577' ' ' HIS . 64.3 m95 -64.41 -24.27 67.57 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.975 -1.121 . . . . 75.5 107.975 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 74.6 m -64.61 -15.32 60.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 73.22 110.003 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 654' ' ' ARG . . . . . . . . . . . . . 5.8 mmt180 -103.75 -25.83 12.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 74.13 110.322 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 655' ' ' VAL . . . . . 0.578 HG13 ' CD2' ' A' ' 657' ' ' PHE . 2.1 t -42.02 134.81 2.36 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 72.42 109.301 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 656' ' ' PRO . . . . . 0.472 ' HB2' ' CB ' ' A' ' 547' ' ' PHE . 18.3 Cg_endo -74.99 -56.3 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.487 1.783 . . . . 74.3 110.984 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 657' ' ' PHE . . . . . 0.578 ' CD2' HG13 ' A' ' 655' ' ' VAL . 19.2 p90 -59.86 149.1 32.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.144 . . . . 72.51 110.928 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 36.5 m -84.37 146.78 27.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 74.14 109.989 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 659' ' ' VAL . . . . . 0.53 HG21 ' CE1' ' A' ' 657' ' ' PHE . 1.5 t -123.58 103.56 34.69 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 74.34 109.339 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 660' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 150.98 38.87 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.49 1.784 . . . . 73.42 111.026 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 5.2 p30 -77.5 164.53 25.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 53.34 109.28 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 662' ' ' PHE . . . . . 0.619 ' CZ ' ' CG ' ' A' ' 667' ' ' HIS . 39.9 t80 -84.02 105.46 14.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 74.23 111.031 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 663' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -83.48 121.51 27.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 72.51 109.289 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 664' ' ' PHE . . . . . 0.435 ' O ' ' CB ' ' A' ' 668' ' ' CYS . 37.5 t80 -71.21 -30.46 66.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 74.13 111.014 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 6.2 mt -68.64 -42.24 78.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 75.34 109.287 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -72.38 -62.42 1.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 65.45 110.305 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 667' ' ' HIS . . . . . 0.619 ' CG ' ' CZ ' ' A' ' 662' ' ' PHE . 2.4 t60 -46.79 -46.18 20.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 71.1 109.597 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 668' ' ' CYS . . . . . 0.435 ' CB ' ' O ' ' A' ' 664' ' ' PHE . 43.7 t -61.39 -40.78 95.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 74.04 108.286 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -71.1 -11.37 60.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 73.41 109.253 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 670' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -109.1 -4.31 16.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 75.43 110.278 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 671' ' ' ASN . . . . . 0.409 HD22 ' CD2' ' A' ' 667' ' ' HIS . 1.5 m-80 -108.7 -28.2 9.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 73.02 109.278 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 3.4 mt -96.2 -55.84 2.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 74.21 109.343 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 3.6 m 64.21 15.62 9.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 72.32 109.968 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -57.39 -25.28 59.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 61.43 109.291 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 675' ' ' LEU . . . . . 0.559 ' N ' ' CD2' ' A' ' 675' ' ' LEU . 0.8 OUTLIER -58.98 -66.7 0.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 75.22 109.327 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 676' ' ' SER . . . . . . . . . . . . . 13.4 m -170.52 169.52 7.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 75.34 109.965 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -115.67 -49.15 2.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 71.54 109.279 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 9.3 t0 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 72.54 109.283 -179.993 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 679' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 546' ' ' GLN . . . . . 0.604 ' C ' ' CD1' ' A' ' 547' ' ' PHE . 5.4 pt20 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.285 -0.265 . . . . 62.12 110.285 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 547' ' ' PHE . . . . . 0.604 ' CD1' ' C ' ' A' ' 546' ' ' GLN . 22.1 m-85 -152.77 104.8 2.68 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.15 . . . . 65.3 110.966 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 548' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 145.27 31.22 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.455 1.766 . . . . 75.32 110.955 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 549' ' ' VAL . . . . . 0.479 HG12 ' HB2' ' A' ' 657' ' ' PHE . 35.1 m -54.18 -44.02 62.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 61.35 109.316 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -56.36 -21.89 27.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 74.35 110.314 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 8.6 m170 -97.38 -23.43 16.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 75.11 109.603 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 552' ' ' VAL . . . . . 0.646 HG11 ' CD1' ' A' ' 657' ' ' PHE . 38.3 t -92.68 121.71 43.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 70.14 109.269 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -109.52 144.83 37.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 75.43 110.263 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 554' ' ' LEU . . . . . 1.017 HD11 HD23 ' A' ' 569' ' ' LEU . 0.9 OUTLIER -84.66 113.17 21.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 72.22 109.332 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 555' ' ' LEU . . . . . 0.861 HD11 ' HB2' ' A' ' 641' ' ' GLU . 0.2 OUTLIER -133.41 -179.98 5.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 75.13 109.324 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 556' ' ' CYS . . . . . 0.542 ' O ' ' N ' ' A' ' 560' ' ' MET . 5.6 t -107.59 103.27 12.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 114.996 -1.002 . . . . 74.01 110.875 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 557' ' ' ILE . . . . . 1.01 HD13 ' O ' ' A' ' 636' ' ' ARG . 1.6 pt -35.58 -33.86 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 72.52 109.333 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 558' ' ' ASN . . . . . 0.489 ' N ' ' O ' ' A' ' 556' ' ' CYS . 7.5 m-20 -77.75 -61.47 1.98 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 75.43 109.328 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 559' ' ' CYS . . . . . 1.146 ' CB ' ' SG ' ' A' ' 615' ' ' CYS . 3.8 m -74.85 -69.36 0.47 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 72.2 108.29 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 560' ' ' MET . . . . . 0.542 ' N ' ' O ' ' A' ' 556' ' ' CYS . 26.9 mtm 76.92 49.26 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 53.11 111.004 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 561' ' ' VAL . . . . . 0.691 ' O ' ' HB3' ' A' ' 562' ' ' ALA . 1.0 OUTLIER -116.22 -1.97 9.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 72.1 109.257 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 562' ' ' ALA . . . . . 0.793 ' CA ' HD23 ' A' ' 555' ' ' LEU . . . 83.26 104.32 0.06 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.538 1.149 . . . . 60.34 109.297 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 563' ' ' VAL . . . . . 0.664 HG12 ' CD1' ' A' ' 587' ' ' TYR . 2.2 m -101.34 -6.66 9.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 74.24 109.332 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -179.08 -156.28 16.93 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.547 1.155 . . . . 71.1 110.997 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 565' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 -129.09 143.58 50.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 52.32 109.607 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . -72.62 -2.77 56.88 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.478 1.111 . . . . 72.14 111.017 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 567' ' ' SER . . . . . 0.415 ' CB ' HG23 ' A' ' 549' ' ' VAL . 20.7 p -114.32 9.5 16.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 0.797 . . . . 70.51 110.044 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 568' ' ' ASP . . . . . 0.451 ' O ' ' NH1' ' A' ' 570' ' ' ARG . 3.1 m-20 -114.08 -10.79 12.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 73.04 109.298 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 569' ' ' LEU . . . . . 1.017 HD23 HD11 ' A' ' 554' ' ' LEU . 0.2 OUTLIER -91.75 163.42 14.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 60.0 109.315 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 570' ' ' ARG . . . . . 0.451 ' NH1' ' O ' ' A' ' 568' ' ' ASP . 0.6 OUTLIER -147.28 179.17 7.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 74.44 110.263 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 571' ' ' LYS . . . . . 0.424 ' CG ' ' HA ' ' A' ' 661' ' ' ASP . 7.9 ptpt -115.91 158.58 22.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 64.14 109.285 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 572' ' ' VAL . . . . . 0.597 HG12 ' HG2' ' A' ' 573' ' ' GLU . 2.8 t -123.14 112.37 33.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 63.32 109.311 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 573' ' ' GLU . . . . . 0.597 ' HG2' HG12 ' A' ' 572' ' ' VAL . 9.3 pt-20 41.43 35.81 0.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 64.0 110.33 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 41.86 49.42 5.15 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.534 1.146 . . . . 73.5 110.97 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 3.2 m -119.9 -40.88 2.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 0.734 . . . . 55.12 110.375 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 9.2 m80 -158.56 128.25 5.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 71.34 109.599 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 577' ' ' HIS . . . . . 0.815 ' ND1' HG11 ' A' ' 659' ' ' VAL . 6.8 m170 -72.25 140.36 48.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 73.04 109.593 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 578' ' ' VAL . . . . . 0.784 HG12 HG22 ' A' ' 632' ' ' VAL . 5.1 m -142.26 123.05 11.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 75.3 109.266 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 579' ' ' ASN . . . . . 0.619 ' ND2' ' CE1' ' A' ' 584' ' ' PHE . 9.6 t30 -89.34 108.45 19.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 72.35 109.287 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 580' ' ' VAL . . . . . 1.018 HG22 HD22 ' A' ' 630' ' ' LEU . 3.6 t -77.77 135.72 25.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 53.22 109.279 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 581' ' ' ASN . . . . . 0.473 ' CB ' ' HB2' ' A' ' 584' ' ' PHE . 3.2 m120 179.51 129.84 0.23 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 74.2 109.304 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 582' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -35.25 3.25 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.494 1.786 . . . . 64.22 111.028 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 583' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -78.68 -1.01 32.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 62.43 109.311 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 584' ' ' PHE . . . . . 0.619 ' CE1' ' ND2' ' A' ' 579' ' ' ASN . 3.6 t80 -70.97 -31.76 68.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 75.12 111.013 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 585' ' ' SER . . . . . 0.508 ' HA ' ' CE2' ' A' ' 588' ' ' TYR . 1.5 t -57.93 -23.87 55.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 54.44 110.034 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -87.53 -17.86 31.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.153 . . . . 73.3 109.341 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 587' ' ' TYR . . . . . 0.664 ' CD1' HG12 ' A' ' 563' ' ' VAL . 5.8 m-85 -93.05 3.79 55.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 74.43 111.059 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 588' ' ' TYR . . . . . 0.716 ' HE1' HG23 ' A' ' 590' ' ' VAL . 1.3 p90 -162.87 159.3 23.63 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 74.32 110.973 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 589' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -129.67 127.69 41.05 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.538 1.149 . . . . 74.42 109.301 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 590' ' ' VAL . . . . . 0.716 HG23 ' HE1' ' A' ' 588' ' ' TYR . 14.5 t -74.44 133.85 30.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 53.21 109.288 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 30.9 t . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 65.32 110.017 -179.976 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 604' ' ' TRP . . . . . 0.407 ' CE3' ' HB3' ' A' ' 623' ' ' MET . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 108.04 -1.096 . . . . 71.23 108.04 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 605' ' ' LYS . . . . . . . . . . . . . 11.2 pttt -114.23 156.15 44.67 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.125 . . . . 63.01 109.342 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 606' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 173.11 15.08 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.524 1.802 . . . . 62.21 111.003 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 607' ' ' GLY . . . . . 0.569 ' H ' HD23 ' A' ' 621' ' ' LEU . . . -132.37 -108.41 1.13 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.499 1.124 . . . . 70.05 110.975 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 608' ' ' GLY . . . . . 0.694 ' HA3' HG13 ' A' ' 590' ' ' VAL . . . -140.61 147.58 19.24 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.034 -0.827 . . . . 72.44 111.034 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 609' ' ' VAL . . . . . 0.404 ' HA ' ' O ' ' A' ' 620' ' ' GLY . 57.9 t -53.8 125.92 9.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.515 0.774 . . . . 72.4 109.336 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 610' ' ' ILE . . . . . 0.671 HD11 ' HA ' ' A' ' 622' ' ' GLN . 0.7 OUTLIER -95.27 146.49 6.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 75.13 109.268 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 611' ' ' SER . . . . . 0.407 ' O ' ' HA ' ' A' ' 588' ' ' TYR . 0.2 OUTLIER -148.77 121.38 8.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 63.34 110.012 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 612' ' ' CYS . . . . . 0.455 ' O ' ' N ' ' A' ' 616' ' ' GLY . 32.4 t -48.35 118.58 2.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.117 . . . . 60.11 108.289 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 9.0 ttt180 -70.18 -26.25 63.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 74.45 110.288 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 614' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -66.01 -38.09 87.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 74.2 109.302 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 615' ' ' CYS . . . . . 1.146 ' SG ' ' CB ' ' A' ' 559' ' ' CYS . 1.1 m -124.29 -74.03 0.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 60.24 108.324 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 616' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 148.79 -18.02 1.25 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.523 1.139 . . . . 74.12 110.994 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -42.73 102.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 0.763 . . . . 64.5 110.313 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 618' ' ' VAL . . . . . 0.444 ' O ' ' NZ ' ' A' ' 634' ' ' LYS . 24.0 t -50.46 124.8 3.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.13 . . . . 75.33 109.322 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 619' ' ' TRP . . . . . 0.647 ' CE2' ' HE3' ' A' ' 638' ' ' MET . 42.8 m0 -85.19 -39.29 18.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 72.45 108.006 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 620' ' ' GLY . . . . . 0.404 ' O ' ' HA ' ' A' ' 609' ' ' VAL . . . 159.23 -102.95 0.22 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.436 1.085 . . . . 24.54 110.978 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 621' ' ' LEU . . . . . 0.747 HD22 ' C ' ' A' ' 621' ' ' LEU . 0.0 OUTLIER -157.54 154.92 29.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 0.74 . . . . 74.22 109.303 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 622' ' ' GLN . . . . . 0.671 ' HA ' HD11 ' A' ' 610' ' ' ILE . 1.4 tt0 -85.37 135.1 34.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 73.52 110.266 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 623' ' ' MET . . . . . 0.407 ' HB3' ' CE3' ' A' ' 604' ' ' TRP . 9.6 mmt -116.31 142.04 47.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 72.32 111.036 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 624' ' ' ILE . . . . . 0.466 HD12 ' N ' ' A' ' 624' ' ' ILE . 4.8 mp -114.39 143.67 23.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 64.3 109.33 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 625' ' ' TYR . . . . . 0.421 ' O ' ' CD2' ' A' ' 625' ' ' TYR . 14.6 t80 -151.51 107.67 3.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 74.04 110.991 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 626' ' ' LYS . . . . . 0.486 ' O ' ' CB ' ' A' ' 627' ' ' SER . 0.0 OUTLIER 70.19 18.92 6.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 74.52 109.296 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 627' ' ' SER . . . . . 0.486 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.2 p 85.11 40.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 62.32 110.023 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 628' ' ' VAL . . . . . 0.735 HG12 ' HG ' ' A' ' 630' ' ' LEU . 52.9 t -126.46 114.6 38.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 51.35 109.321 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 629' ' ' LYS . . . . . 0.47 ' CE ' ' OE1' ' A' ' 622' ' ' GLN . 6.1 mmmm -72.72 100.06 2.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 72.43 109.308 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 630' ' ' LEU . . . . . 1.018 HD22 HG22 ' A' ' 580' ' ' VAL . 54.8 mt -117.6 111.72 39.47 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 64.55 109.305 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 631' ' ' PRO . . . . . 0.771 ' HB2' HD11 ' A' ' 633' ' ' LEU . 18.2 Cg_endo -75.0 133.64 16.84 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.499 1.789 . . . . 72.3 110.98 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 632' ' ' VAL . . . . . 0.872 ' C ' HD13 ' A' ' 633' ' ' LEU . 38.2 t -102.22 103.72 15.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 43.55 109.303 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 633' ' ' LEU . . . . . 0.872 HD13 ' C ' ' A' ' 632' ' ' VAL . 0.0 OUTLIER -106.93 171.52 7.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 75.03 109.313 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 634' ' ' LYS . . . . . 0.444 ' NZ ' ' O ' ' A' ' 618' ' ' VAL . 11.4 mtmm -97.78 -173.75 2.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 72.12 109.302 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 635' ' ' VAL . . . . . 0.687 HG13 ' O ' ' A' ' 649' ' ' ALA . 5.6 p -106.43 -15.12 8.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 63.01 109.335 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 636' ' ' ARG . . . . . 1.01 ' O ' HD13 ' A' ' 557' ' ' ILE . 0.0 OUTLIER -91.4 -22.14 20.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 72.33 110.329 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.57 -13.68 36.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 65.42 109.995 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 638' ' ' MET . . . . . 0.647 ' HE3' ' CE2' ' A' ' 619' ' ' TRP . 33.6 mmt -108.16 147.17 31.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 72.33 110.994 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 639' ' ' LEU . . . . . 0.928 HD21 ' HD2' ' A' ' 646' ' ' ARG . 10.5 tp -112.75 140.47 47.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 73.44 109.28 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 640' ' ' LEU . . . . . 0.496 HD13 ' C ' ' A' ' 639' ' ' LEU . 0.6 OUTLIER -108.5 92.5 4.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 53.32 109.301 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 641' ' ' GLU . . . . . 0.861 ' HB2' HD11 ' A' ' 555' ' ' LEU . 4.3 mt-10 -73.57 117.15 14.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 74.2 110.281 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 642' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -128.41 159.84 65.48 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 64.13 110.403 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 2.48 6.57 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.512 1.796 . . . . 74.13 111.06 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 644' ' ' GLN . . . . . 0.444 ' NE2' ' O ' ' A' ' 546' ' ' GLN . 3.2 mt-30 -113.45 -6.26 13.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 74.32 110.332 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 127.4 145.57 6.21 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.523 1.139 . . . . 72.12 111.009 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 646' ' ' ARG . . . . . 0.928 ' HD2' HD21 ' A' ' 639' ' ' LEU . 57.2 mtm180 -63.41 153.3 35.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 0.777 . . . . 71.24 110.3 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 647' ' ' ILE . . . . . 0.436 HD11 ' CE2' ' A' ' 547' ' ' PHE . 15.8 mt -138.43 136.12 44.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 75.42 109.313 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 648' ' ' GLN . . . . . 0.402 ' C ' ' OE1' ' A' ' 648' ' ' GLN . 1.0 OUTLIER -133.13 109.13 9.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 75.23 110.284 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 649' ' ' ALA . . . . . 0.687 ' O ' HG13 ' A' ' 635' ' ' VAL . . . -107.93 164.82 11.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 44.14 109.272 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 650' ' ' LYS . . . . . 0.49 ' C ' ' CG1' ' A' ' 635' ' ' VAL . 56.4 mttt -109.39 -3.14 17.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 72.31 109.289 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 651' ' ' LYS . . . . . 0.686 ' N ' HG11 ' A' ' 635' ' ' VAL . 7.2 mmmt -142.75 131.94 23.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 62.01 109.276 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 652' ' ' TRP . . . . . 0.753 ' HA ' HG23 ' A' ' 655' ' ' VAL . 67.7 m95 -62.66 -15.55 52.68 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.995 -1.113 . . . . 72.05 107.995 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 36.7 t -67.17 -9.38 39.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 65.33 109.957 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 654' ' ' ARG . . . . . 0.408 ' O ' ' C ' ' A' ' 655' ' ' VAL . 7.0 mmt180 -114.2 -14.14 12.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.547 1.154 . . . . 73.44 110.357 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 655' ' ' VAL . . . . . 0.753 HG23 ' HA ' ' A' ' 652' ' ' TRP . 2.3 t -39.94 128.83 1.58 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 75.13 109.296 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 656' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 655' ' ' VAL . 18.2 Cg_endo -74.97 -51.85 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.482 1.78 . . . . 64.44 110.992 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 657' ' ' PHE . . . . . 0.769 ' CE2' HG22 ' A' ' 659' ' ' VAL . 54.9 p90 -67.26 164.61 17.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 75.01 110.967 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 1.1 m -88.55 147.36 24.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 75.35 110.038 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 659' ' ' VAL . . . . . 0.815 HG11 ' ND1' ' A' ' 577' ' ' HIS . 2.8 t -132.87 96.87 17.55 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 74.3 109.288 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 660' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 151.01 39.14 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.454 1.765 . . . . 74.42 111.003 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 661' ' ' ASP . . . . . 0.424 ' HA ' ' CG ' ' A' ' 571' ' ' LYS . 1.1 p30 -68.27 155.45 39.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 71.4 109.274 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 662' ' ' PHE . . . . . 0.436 ' CE1' HG11 ' A' ' 628' ' ' VAL . 76.9 t80 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 75.44 110.982 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 546' ' ' GLN . . . . . 0.599 ' C ' ' CD1' ' A' ' 547' ' ' PHE . 24.1 mt-30 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.315 -0.254 . . . . 74.33 110.315 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 547' ' ' PHE . . . . . 0.599 ' CD1' ' C ' ' A' ' 546' ' ' GLN . 0.1 OUTLIER -155.58 102.9 2.17 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 73.32 110.972 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 548' ' ' PRO . . . . . 0.448 ' HB2' ' CG ' ' A' ' 550' ' ' GLU . 18.3 Cg_endo -74.97 137.27 21.57 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.498 1.788 . . . . 52.03 110.969 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 549' ' ' VAL . . . . . 0.559 HG12 ' HB2' ' A' ' 657' ' ' PHE . 21.3 m -48.86 -40.49 12.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 72.44 109.303 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 550' ' ' GLU . . . . . 0.448 ' CG ' ' HB2' ' A' ' 548' ' ' PRO . 3.0 pt-20 -57.02 -34.82 68.56 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.481 1.113 . . . . 63.54 110.306 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 11.2 m170 -84.26 -14.8 48.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 73.33 109.584 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 552' ' ' VAL . . . . . 0.835 HG21 ' HB3' ' A' ' 657' ' ' PHE . 58.4 t -95.43 126.24 47.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 54.53 109.284 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -114.98 143.95 44.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.085 . . . . 74.5 110.277 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 554' ' ' LEU . . . . . 0.958 HD11 HD23 ' A' ' 569' ' ' LEU . 1.0 OUTLIER -85.17 115.77 23.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 52.43 109.318 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 555' ' ' LEU . . . . . 0.537 HD23 ' CA ' ' A' ' 562' ' ' ALA . 0.2 OUTLIER -134.65 -179.54 5.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.135 . . . . 52.43 109.308 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 556' ' ' CYS . . . . . 0.523 ' O ' ' N ' ' A' ' 558' ' ' ASN . 3.8 t -110.18 100.78 9.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.01 -0.995 . . . . 73.52 110.886 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 557' ' ' ILE . . . . . 0.692 HD13 ' O ' ' A' ' 636' ' ' ARG . 1.1 pt -32.21 -37.54 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 51.42 109.253 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 558' ' ' ASN . . . . . 0.523 ' N ' ' O ' ' A' ' 556' ' ' CYS . 3.3 m120 -73.74 -64.4 1.01 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 60.42 109.303 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 559' ' ' CYS . . . . . 1.116 ' CB ' ' SG ' ' A' ' 615' ' ' CYS . 9.9 m -73.8 -70.35 0.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 70.3 108.286 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 560' ' ' MET . . . . . 0.52 ' N ' ' O ' ' A' ' 556' ' ' CYS . 26.9 mtm 78.17 43.92 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 73.23 111.038 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 561' ' ' VAL . . . . . 0.502 ' O ' HG23 ' A' ' 561' ' ' VAL . 0.9 OUTLIER -113.06 15.62 8.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.168 . . . . 74.15 109.3 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 562' ' ' ALA . . . . . 0.537 ' CA ' HD23 ' A' ' 555' ' ' LEU . . . 65.91 108.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 64.45 109.316 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 563' ' ' VAL . . . . . 0.683 HG12 ' CD1' ' A' ' 587' ' ' TYR . 1.4 m -107.83 -6.14 10.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.471 1.107 . . . . 73.5 109.315 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -178.4 -159.31 22.72 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.528 1.142 . . . . 70.14 111.017 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 565' ' ' HIS . . . . . . . . . . . . . 68.9 m80 -127.47 144.05 51.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 0.763 . . . . 61.23 109.604 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . -70.94 -20.26 77.61 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.504 1.128 . . . . 52.45 110.972 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 19.8 t -101.54 10.78 39.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 0.771 . . . . 72.12 109.962 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -108.6 -20.93 12.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 42.11 109.277 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 569' ' ' LEU . . . . . 0.958 HD23 HD11 ' A' ' 554' ' ' LEU . 0.2 OUTLIER -83.4 166.23 18.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 71.33 109.335 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 570' ' ' ARG . . . . . 0.413 ' HA ' ' O ' ' A' ' 660' ' ' PRO . 49.9 mtt-85 -158.59 144.62 16.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 73.41 110.302 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 571' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 662' ' ' PHE . 5.0 ttpt -73.54 158.62 34.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 72.11 109.29 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 572' ' ' VAL . . . . . 0.56 HG12 ' HG2' ' A' ' 573' ' ' GLU . 2.7 t -119.11 113.7 42.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 74.41 109.267 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 573' ' ' GLU . . . . . 0.56 ' HG2' HG12 ' A' ' 572' ' ' VAL . 11.7 pt-20 46.2 30.87 1.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 71.33 110.312 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 51.78 59.4 8.67 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.528 1.142 . . . . 72.55 110.982 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 1.9 m -131.35 -71.59 0.56 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 0.798 . . . . 73.12 110.368 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -124.38 151.14 44.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 72.14 109.581 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 577' ' ' HIS . . . . . 0.663 ' CD2' ' CD2' ' A' ' 652' ' ' TRP . 48.6 m-70 -83.91 119.14 24.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.107 . . . . 75.12 109.614 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 578' ' ' VAL . . . . . 0.814 ' CG1' HG22 ' A' ' 632' ' ' VAL . 15.9 m -122.69 124.17 69.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 74.53 109.305 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 579' ' ' ASN . . . . . 0.479 ' ND2' ' CE1' ' A' ' 584' ' ' PHE . 9.4 t30 -95.6 109.04 21.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 61.42 109.312 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 580' ' ' VAL . . . . . 0.977 HG22 HD22 ' A' ' 630' ' ' LEU . 3.3 t -78.53 137.47 21.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 44.4 109.318 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 581' ' ' ASN . . . . . 0.427 ' CB ' ' HB2' ' A' ' 584' ' ' PHE . 3.2 m120 178.81 128.72 0.22 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 71.05 109.333 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 582' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -29.09 8.7 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.479 1.778 . . . . 70.33 111.008 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 583' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -83.06 -5.1 58.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 73.31 109.329 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 584' ' ' PHE . . . . . 0.52 ' O ' ' CD2' ' A' ' 588' ' ' TYR . 2.9 t80 -66.37 -34.06 77.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 75.34 110.983 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 585' ' ' SER . . . . . 0.517 ' HA ' ' CE2' ' A' ' 588' ' ' TYR . 43.4 m -58.26 -24.97 61.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 73.24 109.977 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 19.1 m-20 -87.35 -16.31 35.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 72.03 109.266 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 587' ' ' TYR . . . . . 0.683 ' CD1' HG12 ' A' ' 563' ' ' VAL . 4.8 m-85 -93.28 -1.9 55.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 73.31 111.01 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 588' ' ' TYR . . . . . 0.703 ' HE1' HG23 ' A' ' 590' ' ' VAL . 1.7 p90 -156.33 157.21 35.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 74.31 111.01 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 589' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -126.89 121.94 33.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 60.54 109.292 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 590' ' ' VAL . . . . . 0.703 HG23 ' HE1' ' A' ' 588' ' ' TYR . 7.2 t -72.58 134.79 29.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 73.2 109.287 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 10.7 t . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 73.24 110.001 -179.982 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 604' ' ' TRP . . . . . 0.528 ' CE3' ' HB3' ' A' ' 623' ' ' MET . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 107.99 -1.115 . . . . 72.11 107.99 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 605' ' ' LYS . . . . . . . . . . . . . 13.0 pttt -108.86 156.28 39.28 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.465 1.103 . . . . 73.41 109.29 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 606' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 176.98 9.18 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.458 1.767 . . . . 64.24 111.05 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 607' ' ' GLY . . . . . 0.553 ' H ' HD23 ' A' ' 621' ' ' LEU . . . -137.34 -104.75 0.7 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.539 1.149 . . . . 44.24 111.035 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 608' ' ' GLY . . . . . . . . . . . . . . . -144.07 145.12 14.45 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.029 -0.828 . . . . 65.12 111.029 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 609' ' ' VAL . . . . . 0.407 ' HA ' ' O ' ' A' ' 620' ' ' GLY . 88.5 t -51.09 132.19 12.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 0.774 . . . . 60.31 109.265 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 610' ' ' ILE . . . . . 0.639 HD11 ' HA ' ' A' ' 622' ' ' GLN . 0.7 OUTLIER -103.04 154.9 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 72.23 109.302 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 611' ' ' SER . . . . . 0.41 ' O ' ' HA ' ' A' ' 588' ' ' TYR . 5.8 p -157.23 143.83 18.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 74.45 110.051 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 612' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 616' ' ' GLY . 16.1 t -66.34 118.59 10.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 74.34 108.309 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -72.34 -24.07 61.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 72.32 110.317 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 614' ' ' ASN . . . . . 0.485 ' OD1' HG22 ' A' ' 561' ' ' VAL . 11.6 m120 -70.19 -32.1 69.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 73.12 109.261 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 615' ' ' CYS . . . . . 1.116 ' SG ' ' CB ' ' A' ' 559' ' ' CYS . 0.7 OUTLIER -129.8 -74.33 0.55 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 65.52 108.277 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 616' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 150.99 -19.25 0.96 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.496 1.122 . . . . 33.12 111.017 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -42.5 103.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 0.766 . . . . 73.02 110.272 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 18.1 t -49.28 138.0 4.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.49 1.119 . . . . 74.51 109.314 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 619' ' ' TRP . . . . . 0.81 ' CE2' ' HE3' ' A' ' 638' ' ' MET . 47.3 m0 -101.17 -36.77 8.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 65.52 108.028 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 620' ' ' GLY . . . . . 0.407 ' O ' ' HA ' ' A' ' 609' ' ' VAL . . . 156.0 -116.12 0.7 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.532 1.145 . . . . 74.42 111.008 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 621' ' ' LEU . . . . . 0.755 HD22 ' C ' ' A' ' 621' ' ' LEU . 0.0 OUTLIER -147.33 154.67 41.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.471 0.747 . . . . 72.11 109.341 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 622' ' ' GLN . . . . . 0.639 ' HA ' HD11 ' A' ' 610' ' ' ILE . 0.9 OUTLIER -84.63 134.6 34.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 60.34 110.335 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 623' ' ' MET . . . . . 0.528 ' HB3' ' CE3' ' A' ' 604' ' ' TRP . 6.3 mmt -116.84 141.69 47.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 53.51 110.978 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 624' ' ' ILE . . . . . 0.48 HD12 ' N ' ' A' ' 624' ' ' ILE . 4.7 mp -111.54 143.62 21.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 71.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 625' ' ' TYR . . . . . 0.457 ' C ' ' CD1' ' A' ' 625' ' ' TYR . 0.4 OUTLIER -145.45 105.56 4.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 70.41 110.99 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 626' ' ' LYS . . . . . 0.528 ' HA ' ' CE ' ' A' ' 626' ' ' LYS . 0.1 OUTLIER 63.39 28.01 15.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 61.5 109.331 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 627' ' ' SER . . . . . 0.451 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.3 p 81.33 40.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 22.42 110.003 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 628' ' ' VAL . . . . . 0.804 HG12 ' HG ' ' A' ' 630' ' ' LEU . 55.3 t -125.36 115.66 44.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 53.34 109.305 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 629' ' ' LYS . . . . . 0.48 ' O ' HD23 ' A' ' 630' ' ' LEU . 11.3 mmmt -72.64 99.84 2.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 64.21 109.271 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 630' ' ' LEU . . . . . 0.977 HD22 HG22 ' A' ' 580' ' ' VAL . 53.1 mt -121.7 111.72 32.75 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 74.41 109.293 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 631' ' ' PRO . . . . . 0.666 ' O ' HG12 ' A' ' 578' ' ' VAL . 18.3 Cg_endo -74.99 157.05 43.02 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.5 1.789 . . . . 70.5 110.99 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 632' ' ' VAL . . . . . 0.814 HG22 ' CG1' ' A' ' 578' ' ' VAL . 43.0 t -123.18 98.7 5.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 54.41 109.281 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 633' ' ' LEU . . . . . 0.844 ' N ' HD13 ' A' ' 633' ' ' LEU . 0.0 OUTLIER -100.81 171.5 7.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 73.13 109.31 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 634' ' ' LYS . . . . . 0.427 ' HE3' ' CG ' ' A' ' 636' ' ' ARG . 0.9 OUTLIER -101.41 -174.83 2.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 72.33 109.291 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 635' ' ' VAL . . . . . 0.868 HG11 ' C ' ' A' ' 651' ' ' LYS . 11.4 p -106.97 -24.12 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 71.22 109.312 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 636' ' ' ARG . . . . . 0.692 ' O ' HD13 ' A' ' 557' ' ' ILE . 13.1 ptt180 -84.17 -5.56 59.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 71.51 110.348 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 30.9 t -112.47 -16.97 12.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 74.52 110.043 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 638' ' ' MET . . . . . 0.81 ' HE3' ' CE2' ' A' ' 619' ' ' TRP . 34.0 mmt -104.92 125.41 50.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 73.34 111.017 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 639' ' ' LEU . . . . . 0.827 HD12 ' H ' ' A' ' 640' ' ' LEU . 21.8 tp -88.63 149.73 23.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 70.22 109.345 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 640' ' ' LEU . . . . . 0.827 ' H ' HD12 ' A' ' 639' ' ' LEU . 11.4 mt -120.51 103.26 9.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 62.25 109.292 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -74.19 134.48 42.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 74.42 110.26 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 642' ' ' THR . . . . . 0.9 HG21 HD12 ' A' ' 647' ' ' ILE . 7.4 p -142.07 158.87 60.8 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 63.14 110.411 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -18.01 19.01 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.488 1.783 . . . . 61.43 110.97 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -91.68 -6.16 52.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 55.11 110.307 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 123.87 131.86 3.82 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.495 1.122 . . . . 34.25 110.986 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 646' ' ' ARG . . . . . 0.697 ' HD2' HD21 ' A' ' 639' ' ' LEU . 20.6 mtm-85 -39.55 155.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 0.758 . . . . 74.2 110.292 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 647' ' ' ILE . . . . . 0.9 HD12 HG21 ' A' ' 642' ' ' THR . 21.4 mt -139.08 131.06 36.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 63.01 109.337 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 648' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -134.59 112.26 10.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 73.23 110.272 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 649' ' ' ALA . . . . . 0.464 ' CB ' ' HB2' ' A' ' 654' ' ' ARG . . . -107.65 -177.77 3.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 53.53 109.338 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 22.5 mttt -110.45 -21.09 12.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 63.5 109.259 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 651' ' ' LYS . . . . . 0.868 ' C ' HG11 ' A' ' 635' ' ' VAL . 2.1 mmmm -134.12 150.04 51.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.122 . . . . 73.05 109.323 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 652' ' ' TRP . . . . . 0.726 ' N ' HG11 ' A' ' 635' ' ' VAL . 47.2 m95 -66.13 -16.38 63.91 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.963 -1.125 . . . . 75.11 107.963 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 15.5 m -64.13 -11.88 34.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 52.14 109.989 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 654' ' ' ARG . . . . . 0.464 ' HB2' ' CB ' ' A' ' 649' ' ' ALA . 8.4 mmt180 -105.79 -26.55 11.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 62.22 110.273 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 655' ' ' VAL . . . . . 0.743 HG13 ' CD2' ' A' ' 657' ' ' PHE . 2.3 t -40.25 126.4 1.72 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 63.42 109.342 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 656' ' ' PRO . . . . . 0.568 ' HD2' HD13 ' A' ' 640' ' ' LEU . 18.2 Cg_endo -75.01 -50.87 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.494 1.787 . . . . 70.22 110.99 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 657' ' ' PHE . . . . . 0.969 ' CE1' HG22 ' A' ' 659' ' ' VAL . 17.4 p90 -62.61 149.92 42.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 74.24 110.984 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -85.27 145.25 27.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 52.13 110.005 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 659' ' ' VAL . . . . . 0.969 HG22 ' CE1' ' A' ' 657' ' ' PHE . 2.0 t -119.68 98.63 49.79 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 73.42 109.279 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 660' ' ' PRO . . . . . 0.413 ' O ' ' HA ' ' A' ' 570' ' ' ARG . 18.3 Cg_endo -75.01 147.44 33.88 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.54 1.811 . . . . 75.03 111.012 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 661' ' ' ASP . . . . . 0.405 ' HA ' ' O ' ' A' ' 571' ' ' LYS . 12.0 m-20 -63.05 162.73 11.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 75.33 109.323 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 662' ' ' PHE . . . . . 0.483 ' CZ ' HG11 ' A' ' 628' ' ' VAL . 5.0 t80 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 74.42 111.034 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 546' ' ' GLN . . . . . 0.538 ' C ' ' CD1' ' A' ' 547' ' ' PHE . 15.9 mt-30 . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.342 -0.244 . . . . 73.34 110.342 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 547' ' ' PHE . . . . . 0.637 ' CD1' ' N ' ' A' ' 547' ' ' PHE . 0.1 OUTLIER -149.33 103.33 3.31 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 53.34 111.027 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 548' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 145.64 31.73 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.442 1.759 . . . . 71.03 110.984 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 549' ' ' VAL . . . . . 0.51 HG23 ' CB ' ' A' ' 567' ' ' SER . 30.2 m -52.34 -44.05 41.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 72.52 109.281 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -53.95 -27.2 29.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 64.21 110.34 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 9.8 m170 -92.0 -22.56 19.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 63.52 109.574 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 552' ' ' VAL . . . . . 0.738 HG21 ' HB3' ' A' ' 657' ' ' PHE . 33.4 t -93.83 124.27 46.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 63.53 109.333 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -111.08 145.67 38.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 75.41 110.322 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 554' ' ' LEU . . . . . 0.963 HD11 HD23 ' A' ' 569' ' ' LEU . 1.3 mt -86.2 112.57 21.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 71.14 109.298 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 555' ' ' LEU . . . . . 0.867 HD11 ' HB2' ' A' ' 641' ' ' GLU . 0.2 OUTLIER -133.36 -179.85 5.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 72.34 109.295 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 556' ' ' CYS . . . . . 0.529 ' O ' ' N ' ' A' ' 560' ' ' MET . 5.9 t -107.8 104.11 13.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 114.989 -1.005 . . . . 64.33 110.9 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 557' ' ' ILE . . . . . 0.734 HD13 ' O ' ' A' ' 636' ' ' ARG . 1.4 pt -35.67 -33.92 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.132 . . . . 72.44 109.31 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 558' ' ' ASN . . . . . 0.488 ' N ' ' O ' ' A' ' 556' ' ' CYS . 7.9 m-20 -78.73 -61.05 2.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 71.32 109.298 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 559' ' ' CYS . . . . . 1.17 ' CB ' ' SG ' ' A' ' 615' ' ' CYS . 1.8 m -74.03 -70.31 0.39 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 74.4 108.324 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 560' ' ' MET . . . . . 0.529 ' N ' ' O ' ' A' ' 556' ' ' CYS . 28.4 mtm 77.31 48.35 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 70.12 111.041 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 561' ' ' VAL . . . . . 0.661 ' O ' ' HB3' ' A' ' 562' ' ' ALA . 1.0 OUTLIER -115.01 -2.71 10.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 74.32 109.279 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 562' ' ' ALA . . . . . 0.779 ' CA ' HD23 ' A' ' 555' ' ' LEU . . . 82.46 102.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 72.11 109.245 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 563' ' ' VAL . . . . . 0.628 HG12 ' CD1' ' A' ' 587' ' ' TYR . 2.3 m -99.27 -4.15 9.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 54.13 109.327 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . 177.14 -160.12 26.9 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.445 1.091 . . . . 61.11 110.991 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 565' ' ' HIS . . . . . . . . . . . . . 64.5 m80 -124.55 144.4 50.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 0.782 . . . . 73.1 109.581 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . -73.24 -2.25 58.62 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.549 1.156 . . . . 73.54 111.026 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 567' ' ' SER . . . . . 0.51 ' CB ' HG23 ' A' ' 549' ' ' VAL . 15.2 p -115.43 10.87 15.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 0.759 . . . . 44.43 110.033 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -113.85 -12.62 12.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 62.32 109.31 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 569' ' ' LEU . . . . . 0.963 HD23 HD11 ' A' ' 554' ' ' LEU . 0.1 OUTLIER -90.8 168.07 12.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 71.41 109.319 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 570' ' ' ARG . . . . . 0.418 ' CG ' ' O ' ' A' ' 569' ' ' LEU . 66.0 mtt-85 -158.82 136.81 10.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 75.25 110.28 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 571' ' ' LYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 661' ' ' ASP . 10.8 ptpt -73.31 157.66 36.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 62.41 109.299 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 572' ' ' VAL . . . . . 0.658 HG23 ' CG2' ' A' ' 578' ' ' VAL . 2.7 t -110.72 98.84 7.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 65.12 109.295 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 573' ' ' GLU . . . . . 0.473 ' CG ' ' O ' ' A' ' 572' ' ' VAL . 9.0 pt-20 46.86 24.11 0.32 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 73.2 110.277 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 574' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' A' ' 575' ' ' THR . . . 87.82 -23.36 13.84 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.485 1.116 . . . . 74.32 111.007 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 575' ' ' THR . . . . . 0.603 HG21 ' CZ2' ' A' ' 604' ' ' TRP . 52.7 m -36.23 -76.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 0.741 . . . . 72.41 110.426 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 50.2 m80 -147.99 150.56 34.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 74.2 109.58 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 577' ' ' HIS . . . . . 1.038 ' CD2' HG11 ' A' ' 659' ' ' VAL . 6.4 m80 -71.79 116.38 12.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 74.53 109.611 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 578' ' ' VAL . . . . . 0.688 HG12 ' O ' ' A' ' 631' ' ' PRO . 26.9 m -115.92 118.49 58.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 72.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 579' ' ' ASN . . . . . 0.48 ' HA ' ' CB ' ' A' ' 569' ' ' LEU . 8.9 t30 -90.52 119.9 31.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.581 1.176 . . . . 73.04 109.279 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 580' ' ' VAL . . . . . 0.918 HG22 HD22 ' A' ' 630' ' ' LEU . 2.7 t -95.9 130.79 44.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 54.51 109.292 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 581' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 176.49 141.28 0.23 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 70.01 109.312 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 582' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -46.19 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.545 1.813 . . . . 64.33 110.991 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 583' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -54.78 -19.62 6.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 71.41 109.292 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 584' ' ' PHE . . . . . 0.494 ' O ' ' CD2' ' A' ' 588' ' ' TYR . 1.8 t80 -58.99 -44.25 91.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 75.24 111.0 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 585' ' ' SER . . . . . 0.528 ' HA ' ' CE2' ' A' ' 588' ' ' TYR . 10.9 p -53.24 -25.32 13.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.454 1.097 . . . . 72.12 109.996 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -88.26 -23.32 23.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 55.14 109.307 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 587' ' ' TYR . . . . . 0.628 ' CD1' HG12 ' A' ' 563' ' ' VAL . 13.8 m-85 -88.55 6.8 36.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 75.24 110.979 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 588' ' ' TYR . . . . . 0.781 ' CD1' HG23 ' A' ' 610' ' ' ILE . 0.9 OUTLIER -165.45 158.72 16.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 73.25 110.982 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 589' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -133.11 121.01 22.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 55.43 109.276 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 590' ' ' VAL . . . . . 0.778 HG23 ' HE1' ' A' ' 588' ' ' TYR . 7.4 t -72.45 149.3 8.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 73.44 109.311 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 48.0 t . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 72.35 109.99 -179.992 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 604' ' ' TRP . . . . . 0.603 ' CZ2' HG21 ' A' ' 575' ' ' THR . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 108.021 -1.103 . . . . 74.45 108.021 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 605' ' ' LYS . . . . . 0.641 ' HE2' HD13 ' A' ' 624' ' ' ILE . 5.0 ptmt -121.08 151.91 55.99 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 74.4 109.299 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 606' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 142.5 27.92 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.468 1.773 . . . . 73.32 110.994 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 607' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 622' ' ' GLN . . . -105.74 -120.92 4.76 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.555 1.159 . . . . 70.23 111.026 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 608' ' ' GLY . . . . . 0.406 ' O ' ' HA ' ' A' ' 621' ' ' LEU . . . -139.61 151.91 22.24 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 110.972 -0.851 . . . . 64.41 110.972 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 609' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' ' 620' ' ' GLY . 50.2 t -56.33 129.72 18.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.442 0.731 . . . . 72.41 109.264 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 610' ' ' ILE . . . . . 0.781 HG23 ' CD1' ' A' ' 588' ' ' TYR . 0.8 OUTLIER -102.19 143.37 14.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 71.53 109.31 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 611' ' ' SER . . . . . 0.404 ' O ' ' HA ' ' A' ' 588' ' ' TYR . 0.7 OUTLIER -136.84 117.88 14.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 63.41 109.993 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 612' ' ' CYS . . . . . 0.455 ' O ' ' N ' ' A' ' 616' ' ' GLY . 39.7 t -49.21 118.17 2.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 61.54 108.274 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 9.2 ttt180 -67.88 -28.02 67.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 65.32 110.328 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 614' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -65.13 -39.12 92.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 63.4 109.292 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 615' ' ' CYS . . . . . 1.17 ' SG ' ' CB ' ' A' ' 559' ' ' CYS . 0.2 OUTLIER -125.35 -75.02 0.59 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 73.2 108.234 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 616' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 148.53 -18.07 1.29 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.486 1.116 . . . . 63.42 111.01 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 617' ' ' GLU . . . . . 0.436 ' OE1' ' ND2' ' A' ' 558' ' ' ASN . 9.0 tp10 -42.78 102.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 0.74 . . . . 70.14 110.276 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 57.3 t -54.25 112.28 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.54 1.15 . . . . 73.24 109.316 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 619' ' ' TRP . . . . . 0.787 ' CE2' ' HE3' ' A' ' 638' ' ' MET . 42.2 m0 -71.0 -51.03 27.86 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.964 -1.124 . . . . 75.31 107.964 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 620' ' ' GLY . . . . . 0.4 ' O ' ' HA ' ' A' ' 609' ' ' VAL . . . 176.8 -99.2 0.13 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 75.33 110.983 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 621' ' ' LEU . . . . . 0.763 ' C ' HD23 ' A' ' 621' ' ' LEU . 0.0 OUTLIER -162.07 170.33 19.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 0.775 . . . . 73.45 109.289 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 622' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 607' ' ' GLY . 0.2 OUTLIER -95.71 162.99 13.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 73.51 110.311 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 623' ' ' MET . . . . . 0.636 ' C ' HD12 ' A' ' 624' ' ' ILE . 6.9 mtp -146.95 151.49 37.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 73.14 111.007 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 624' ' ' ILE . . . . . 0.769 HD12 ' N ' ' A' ' 624' ' ' ILE . 2.7 mp -120.91 132.47 70.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 75.04 109.334 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 625' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -138.56 101.04 4.25 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.545 1.153 . . . . 75.41 111.003 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 626' ' ' LYS . . . . . 0.51 ' O ' ' CB ' ' A' ' 627' ' ' SER . 0.0 OUTLIER 68.32 22.17 8.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 71.1 109.284 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 627' ' ' SER . . . . . 0.51 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.1 p 86.02 39.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 71.21 109.998 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 628' ' ' VAL . . . . . 0.681 HG12 ' CD2' ' A' ' 630' ' ' LEU . 63.0 t -126.78 116.67 45.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 65.2 109.306 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 629' ' ' LYS . . . . . 0.428 ' O ' HD23 ' A' ' 630' ' ' LEU . 7.4 mmmm -71.72 99.68 2.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 64.12 109.329 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 630' ' ' LEU . . . . . 0.918 HD22 HG22 ' A' ' 580' ' ' VAL . 44.2 mt -120.93 111.24 34.3 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 55.24 109.308 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 631' ' ' PRO . . . . . 0.688 ' O ' HG12 ' A' ' 578' ' ' VAL . 18.2 Cg_endo -75.0 166.25 29.6 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.502 1.791 . . . . 75.44 111.008 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 632' ' ' VAL . . . . . 0.759 ' C ' HD13 ' A' ' 633' ' ' LEU . 69.7 t -128.97 93.01 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 51.22 109.278 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 633' ' ' LEU . . . . . 0.828 ' N ' HD13 ' A' ' 633' ' ' LEU . 0.0 OUTLIER -99.75 171.64 7.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 74.12 109.331 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 634' ' ' LYS . . . . . 0.418 ' C ' ' CZ2' ' A' ' 652' ' ' TRP . 6.9 mtmm -105.82 -177.39 3.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 70.55 109.302 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 635' ' ' VAL . . . . . 0.84 HG11 ' C ' ' A' ' 651' ' ' LYS . 7.9 p -103.08 -14.83 8.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 60.12 109.294 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 636' ' ' ARG . . . . . 0.734 ' O ' HD13 ' A' ' 557' ' ' ILE . 13.5 ptt180 -90.21 -5.57 56.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 72.35 110.291 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 1.4 t -112.49 -13.99 13.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 75.43 110.001 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 638' ' ' MET . . . . . 0.787 ' HE3' ' CE2' ' A' ' 619' ' ' TRP . 33.1 mmt -108.61 131.73 54.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 73.42 110.989 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 639' ' ' LEU . . . . . 0.921 HD21 ' HD2' ' A' ' 646' ' ' ARG . 13.3 tp -96.74 142.65 28.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 43.33 109.312 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 640' ' ' LEU . . . . . 0.492 HD13 ' C ' ' A' ' 639' ' ' LEU . 0.8 OUTLIER -110.27 93.44 4.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 74.52 109.325 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 641' ' ' GLU . . . . . 0.867 ' HB2' HD11 ' A' ' 555' ' ' LEU . 5.6 mt-10 -74.58 119.16 18.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 73.22 110.313 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 642' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -129.36 159.66 68.08 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 71.25 110.416 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 2.35 6.74 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.479 1.778 . . . . 44.11 111.008 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -110.96 -6.77 14.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 74.11 110.311 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 126.26 139.38 5.06 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.523 1.139 . . . . 72.31 110.974 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 646' ' ' ARG . . . . . 0.921 ' HD2' HD21 ' A' ' 639' ' ' LEU . 15.4 mtm105 -56.3 151.65 12.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 0.739 . . . . 74.24 110.288 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 647' ' ' ILE . . . . . . . . . . . . . 18.7 mt -138.11 128.14 35.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 63.12 109.324 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 648' ' ' GLN . . . . . 0.727 ' OE1' HD12 ' A' ' 557' ' ' ILE . 0.1 OUTLIER -121.13 95.44 4.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 54.01 110.271 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 649' ' ' ALA . . . . . . . . . . . . . . . -92.95 160.73 14.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 62.34 109.321 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 650' ' ' LYS . . . . . 0.494 ' C ' ' CG1' ' A' ' 635' ' ' VAL . 10.1 mmtp -99.67 -28.55 13.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 74.05 109.264 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 651' ' ' LYS . . . . . 0.84 ' C ' HG11 ' A' ' 635' ' ' VAL . 19.5 mmmt -125.55 144.98 50.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 74.34 109.312 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 652' ' ' TRP . . . . . 0.793 ' HA ' HG23 ' A' ' 655' ' ' VAL . 35.7 m95 -67.32 -11.89 58.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 73.05 108.0 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 3.0 m -66.42 -10.07 40.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 62.3 110.014 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 654' ' ' ARG . . . . . 0.403 ' NH1' ' HB2' ' A' ' 651' ' ' LYS . 7.8 mmt-85 -114.27 -14.38 12.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.121 . . . . 71.25 110.292 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 655' ' ' VAL . . . . . 0.793 HG23 ' HA ' ' A' ' 652' ' ' TRP . 2.4 t -40.26 125.66 1.73 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.442 1.089 . . . . 64.34 109.289 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 656' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 655' ' ' VAL . 18.5 Cg_endo -75.03 -49.71 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.466 1.771 . . . . 74.5 111.0 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 657' ' ' PHE . . . . . 0.795 ' CE2' HG22 ' A' ' 659' ' ' VAL . 50.8 p90 -68.06 160.78 28.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 73.42 110.992 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 658' ' ' SER . . . . . 0.419 ' O ' ' CG1' ' A' ' 549' ' ' VAL . 9.8 m -88.44 149.54 23.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 33.3 110.04 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 659' ' ' VAL . . . . . 1.038 HG11 ' CD2' ' A' ' 577' ' ' HIS . 2.1 t -135.98 96.85 12.71 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 65.44 109.274 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 660' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 147.48 34.11 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.45 1.763 . . . . 72.12 111.013 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 661' ' ' ASP . . . . . 0.401 ' HA ' ' O ' ' A' ' 571' ' ' LYS . 19.6 p-10 -56.95 151.29 15.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 71.11 109.249 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 662' ' ' PHE . . . . . 0.667 ' CZ ' HG11 ' A' ' 628' ' ' VAL . 51.4 t80 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 75.51 111.006 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 546' ' ' GLN . . . . . 0.522 ' C ' ' CD1' ' A' ' 547' ' ' PHE . 19.4 mt-30 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.349 -0.241 . . . . 62.24 110.349 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 547' ' ' PHE . . . . . 0.624 ' CD1' ' N ' ' A' ' 547' ' ' PHE . 0.1 OUTLIER -149.32 102.47 3.31 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 73.44 111.007 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 548' ' ' PRO . . . . . 0.439 ' HB2' ' CG ' ' A' ' 550' ' ' GLU . 18.3 Cg_endo -74.98 137.63 22.0 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.505 1.792 . . . . 53.0 110.996 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 549' ' ' VAL . . . . . 0.485 HG23 ' CB ' ' A' ' 567' ' ' SER . 35.6 m -48.46 -40.31 10.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 60.33 109.267 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 550' ' ' GLU . . . . . 0.439 ' CG ' ' HB2' ' A' ' 548' ' ' PRO . 2.1 pt-20 -57.53 -35.04 69.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 73.54 110.304 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 10.4 m170 -82.69 -16.71 47.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 74.43 109.609 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 552' ' ' VAL . . . . . 0.838 HG21 ' HB3' ' A' ' 657' ' ' PHE . 77.5 t -94.49 128.11 45.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 73.1 109.321 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 553' ' ' GLN . . . . . 0.483 ' O ' HD12 ' A' ' 555' ' ' LEU . 10.3 tt0 -117.65 142.43 47.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 73.4 110.315 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 554' ' ' LEU . . . . . 1.017 HD11 HD23 ' A' ' 569' ' ' LEU . 1.2 mt -83.89 114.05 21.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 62.32 109.288 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 555' ' ' LEU . . . . . 0.554 HD23 ' HB2' ' A' ' 562' ' ' ALA . 0.2 OUTLIER -135.89 177.06 8.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 74.42 109.286 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 556' ' ' CYS . . . . . 0.52 ' O ' ' N ' ' A' ' 560' ' ' MET . 5.8 t -101.88 105.1 15.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.002 -0.999 . . . . 44.1 110.912 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 557' ' ' ILE . . . . . 0.535 HD13 ' O ' ' A' ' 636' ' ' ARG . 0.8 OUTLIER -34.4 -35.62 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 75.4 109.296 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 558' ' ' ASN . . . . . 0.488 ' N ' ' O ' ' A' ' 556' ' ' CYS . 8.0 m-20 -79.45 -61.67 1.93 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 74.4 109.321 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 559' ' ' CYS . . . . . 1.053 ' CB ' ' SG ' ' A' ' 615' ' ' CYS . 1.9 m -71.01 -71.61 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.093 . . . . 62.0 108.323 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 560' ' ' MET . . . . . 0.52 ' N ' ' O ' ' A' ' 556' ' ' CYS . 30.8 mtm 77.36 42.15 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 70.22 110.997 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 561' ' ' VAL . . . . . 0.674 ' O ' ' HB3' ' A' ' 562' ' ' ALA . 1.0 OUTLIER -107.14 -3.68 10.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.559 1.162 . . . . 62.01 109.329 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 562' ' ' ALA . . . . . 0.674 ' HB3' ' O ' ' A' ' 561' ' ' VAL . . . 84.09 100.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 50.3 109.255 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 563' ' ' VAL . . . . . 0.582 HG12 ' CD1' ' A' ' 587' ' ' TYR . 2.0 m -99.02 -4.86 9.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 71.41 109.305 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . 179.91 -161.0 26.45 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.467 1.104 . . . . 61.33 111.012 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 565' ' ' HIS . . . . . 0.43 ' NE2' ' OE1' ' A' ' 553' ' ' GLN . 49.9 m80 -125.76 145.43 50.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 0.77 . . . . 74.31 109.636 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 566' ' ' GLY . . . . . 0.572 ' O ' HD11 ' A' ' 569' ' ' LEU . . . -73.62 -14.95 79.41 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.484 1.115 . . . . 64.2 111.002 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 567' ' ' SER . . . . . 0.485 ' CB ' HG23 ' A' ' 549' ' ' VAL . 18.5 p -105.01 8.39 34.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 0.74 . . . . 60.22 110.017 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -109.05 -21.01 12.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 75.24 109.316 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 569' ' ' LEU . . . . . 1.017 HD23 HD11 ' A' ' 554' ' ' LEU . 0.2 OUTLIER -81.88 155.45 25.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 71.32 109.278 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 570' ' ' ARG . . . . . 0.412 ' HA ' ' O ' ' A' ' 660' ' ' PRO . 30.2 mtm180 -147.73 144.64 28.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 75.01 110.307 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 571' ' ' LYS . . . . . 0.618 ' HE2' ' CD2' ' A' ' 577' ' ' HIS . 19.2 ttmt -73.36 158.25 35.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 73.44 109.295 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 572' ' ' VAL . . . . . 0.559 HG12 ' HG2' ' A' ' 573' ' ' GLU . 2.8 t -122.0 112.74 36.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 74.23 109.294 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 573' ' ' GLU . . . . . 0.559 ' HG2' HG12 ' A' ' 572' ' ' VAL . 7.0 pt-20 43.74 35.0 0.94 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 71.53 110.284 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 45.38 43.97 10.5 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.522 1.139 . . . . 73.02 111.009 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 1.5 m -109.24 -48.98 3.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 0.773 . . . . 55.23 110.387 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -159.2 135.13 8.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 42.33 109.606 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 577' ' ' HIS . . . . . 0.707 ' CE1' ' CB ' ' A' ' 652' ' ' TRP . 5.7 m80 -64.32 126.0 26.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 73.44 109.611 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 578' ' ' VAL . . . . . 0.492 ' CG1' HG22 ' A' ' 632' ' ' VAL . 30.9 m -130.0 126.61 62.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 71.24 109.352 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 579' ' ' ASN . . . . . 0.48 ' ND2' ' CE1' ' A' ' 584' ' ' PHE . 10.2 t30 -92.53 121.24 33.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 74.2 109.306 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 580' ' ' VAL . . . . . 0.777 HG22 HD22 ' A' ' 630' ' ' LEU . 3.8 t -95.11 138.37 21.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 74.51 109.255 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 581' ' ' ASN . . . . . 0.444 ' OD1' ' N ' ' A' ' 584' ' ' PHE . 23.6 t-20 173.35 130.74 0.1 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 74.43 109.307 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 582' ' ' PRO . . . . . 0.418 ' HD2' ' ND2' ' A' ' 581' ' ' ASN . 18.4 Cg_endo -74.96 -24.95 12.41 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.494 1.786 . . . . 45.42 111.066 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 583' ' ' ASN . . . . . 0.415 ' ND2' ' N ' ' A' ' 583' ' ' ASN . 0.3 OUTLIER -80.9 -1.51 43.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 75.23 109.275 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 584' ' ' PHE . . . . . 0.482 ' O ' ' CD2' ' A' ' 588' ' ' TYR . 2.7 t80 -75.99 -31.16 58.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 73.34 110.991 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 6.3 m -58.59 -27.02 64.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 51.02 109.981 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -87.16 -14.07 42.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 74.42 109.295 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 587' ' ' TYR . . . . . 0.582 ' CD1' HG12 ' A' ' 563' ' ' VAL . 3.0 m-85 -95.46 6.87 47.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 72.11 111.017 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 588' ' ' TYR . . . . . 0.839 ' CD1' HG23 ' A' ' 610' ' ' ILE . 0.9 OUTLIER -167.98 158.48 10.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 61.24 110.99 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 589' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -132.95 124.53 27.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 75.53 109.325 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 590' ' ' VAL . . . . . 0.742 HG23 ' HE1' ' A' ' 588' ' ' TYR . 39.9 t -72.87 149.86 8.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.153 . . . . 74.23 109.246 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 4.0 t . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 64.41 110.023 -180.0 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 604' ' ' TRP . . . . . 0.53 ' CE2' ' SD ' ' A' ' 623' ' ' MET . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 108.032 -1.099 . . . . 74.41 108.032 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 605' ' ' LYS . . . . . 0.622 ' NZ ' HD13 ' A' ' 624' ' ' ILE . 6.0 ptmm? -112.04 154.0 44.39 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 71.33 109.284 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 606' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 140.93 26.08 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.509 1.794 . . . . 73.03 111.051 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 607' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 622' ' ' GLN . . . -99.9 -127.11 5.9 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.494 1.121 . . . . 43.3 110.996 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 608' ' ' GLY . . . . . 0.418 ' O ' ' HA ' ' A' ' 621' ' ' LEU . . . -141.13 156.46 25.6 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.989 -0.844 . . . . 70.11 110.989 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 609' ' ' VAL . . . . . 0.411 ' H ' HG23 ' A' ' 609' ' ' VAL . 12.1 t -53.97 134.34 16.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.508 0.77 . . . . 73.52 109.265 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 610' ' ' ILE . . . . . 0.839 HG23 ' CD1' ' A' ' 588' ' ' TYR . 0.8 OUTLIER -110.26 143.93 19.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 72.12 109.305 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 611' ' ' SER . . . . . 0.401 ' O ' ' HA ' ' A' ' 588' ' ' TYR . 0.8 OUTLIER -137.85 119.1 14.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 62.02 110.028 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 612' ' ' CYS . . . . . 0.451 ' O ' ' N ' ' A' ' 616' ' ' GLY . 47.6 t -47.82 119.28 2.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 72.21 108.312 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 6.9 ttt-85 -67.51 -28.15 67.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 72.14 110.295 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 614' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -66.08 -40.05 90.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 65.43 109.294 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 615' ' ' CYS . . . . . 1.053 ' SG ' ' CB ' ' A' ' 559' ' ' CYS . 0.0 OUTLIER -123.22 -75.54 0.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 41.03 108.302 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 616' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 147.86 -17.21 1.4 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.516 1.135 . . . . 73.11 111.001 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 617' ' ' GLU . . . . . 0.428 ' OE2' ' ND2' ' A' ' 558' ' ' ASN . 2.9 tp10 -42.61 102.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 0.783 . . . . 65.41 110.325 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 91.1 t -53.58 112.32 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 74.03 109.301 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 619' ' ' TRP . . . . . 0.786 ' CE2' ' HE3' ' A' ' 638' ' ' MET . 34.4 m0 -71.31 -52.62 17.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 60.13 107.969 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 620' ' ' GLY . . . . . 0.401 ' O ' ' HA ' ' A' ' 609' ' ' VAL . . . 177.93 -97.73 0.11 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.504 1.128 . . . . 44.03 111.033 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 621' ' ' LEU . . . . . 0.698 ' C ' HD23 ' A' ' 621' ' ' LEU . 0.0 OUTLIER -161.21 170.63 19.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 0.775 . . . . 55.43 109.294 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 622' ' ' GLN . . . . . 0.449 ' HA ' HD11 ' A' ' 610' ' ' ILE . 0.6 OUTLIER -93.79 161.68 14.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 72.53 110.3 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 623' ' ' MET . . . . . 0.793 ' HG3' HG21 ' A' ' 632' ' ' VAL . 5.7 mmt -145.71 118.96 8.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 73.14 111.008 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 624' ' ' ILE . . . . . 0.731 HD12 ' N ' ' A' ' 624' ' ' ILE . 1.8 mp -95.36 134.1 33.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 35.22 109.304 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 625' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -140.02 105.64 5.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 74.02 111.021 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 626' ' ' LYS . . . . . 0.493 ' O ' ' CB ' ' A' ' 627' ' ' SER . 6.0 mmpt? 71.5 20.69 4.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 70.22 109.297 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 627' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.2 p 85.49 38.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 73.14 109.999 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 628' ' ' VAL . . . . . 0.716 HG12 ' HG ' ' A' ' 630' ' ' LEU . 38.8 t -128.18 113.36 30.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 71.11 109.265 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 3.0 mmmm -67.81 99.35 0.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 62.25 109.347 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 630' ' ' LEU . . . . . 0.777 HD22 HG22 ' A' ' 580' ' ' VAL . 66.2 mt -112.83 111.54 51.16 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 61.34 109.297 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 631' ' ' PRO . . . . . 0.619 ' HB2' HD11 ' A' ' 633' ' ' LEU . 18.3 Cg_endo -75.02 131.66 14.52 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.505 1.792 . . . . 72.43 111.018 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 632' ' ' VAL . . . . . 0.793 HG21 ' HG3' ' A' ' 623' ' ' MET . 91.7 t -99.35 93.4 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 60.43 109.299 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 633' ' ' LEU . . . . . 0.726 ' N ' HD13 ' A' ' 633' ' ' LEU . 0.0 OUTLIER -99.34 170.2 8.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 43.54 109.289 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 634' ' ' LYS . . . . . 0.474 ' HE3' ' CG ' ' A' ' 636' ' ' ARG . 0.6 OUTLIER -109.42 -169.56 1.5 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 73.15 109.238 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 635' ' ' VAL . . . . . 0.832 HG11 ' C ' ' A' ' 651' ' ' LYS . 12.0 p -112.0 -17.93 8.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 71.22 109.307 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 636' ' ' ARG . . . . . 0.535 ' O ' HD13 ' A' ' 557' ' ' ILE . 2.6 ptt85 -77.95 -9.6 59.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 73.11 110.291 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 637' ' ' SER . . . . . 0.463 ' HG ' ' HD1' ' A' ' 619' ' ' TRP . 89.8 p -121.52 -3.33 9.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 63.22 109.996 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 638' ' ' MET . . . . . 0.786 ' HE3' ' CE2' ' A' ' 619' ' ' TRP . 31.0 mmt -112.86 121.41 44.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 55.44 111.055 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 639' ' ' LEU . . . . . 0.827 HD12 ' H ' ' A' ' 640' ' ' LEU . 26.3 tp -89.82 152.24 21.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 71.41 109.333 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 640' ' ' LEU . . . . . 0.827 ' H ' HD12 ' A' ' 639' ' ' LEU . 6.9 mt -120.97 103.37 9.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 64.41 109.301 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 641' ' ' GLU . . . . . 0.425 ' HB2' HD11 ' A' ' 555' ' ' LEU . 5.4 mt-10 -73.92 126.59 30.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 71.05 110.306 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 642' ' ' THR . . . . . 0.754 HG21 HD12 ' A' ' 647' ' ' ILE . 1.9 p -135.52 159.03 73.08 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 74.04 110.387 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -20.07 17.11 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.473 1.775 . . . . 71.24 110.957 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -87.54 -16.0 35.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 73.11 110.299 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 135.45 133.88 3.3 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.493 1.121 . . . . 72.31 111.012 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 646' ' ' ARG . . . . . 0.808 ' HD2' HD21 ' A' ' 639' ' ' LEU . 24.6 mtm-85 -46.77 152.15 0.52 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 0.763 . . . . 62.31 110.307 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 647' ' ' ILE . . . . . 0.754 HD12 HG21 ' A' ' 642' ' ' THR . 11.2 mt -137.28 135.21 47.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 73.21 109.347 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 648' ' ' GLN . . . . . 0.417 ' OE1' ' N ' ' A' ' 649' ' ' ALA . 0.1 OUTLIER -133.86 117.01 16.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.103 . . . . 74.31 110.329 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 649' ' ' ALA . . . . . 0.417 ' N ' ' OE1' ' A' ' 648' ' ' GLN . . . -126.03 151.34 47.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 42.34 109.362 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 650' ' ' LYS . . . . . 0.439 ' HA ' ' CB ' ' A' ' 636' ' ' ARG . 7.2 mttm -94.56 4.73 53.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 71.05 109.32 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 651' ' ' LYS . . . . . 0.832 ' C ' HG11 ' A' ' 635' ' ' VAL . 2.0 mmmp? -142.66 142.54 32.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 74.01 109.294 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 652' ' ' TRP . . . . . 0.707 ' CB ' ' CE1' ' A' ' 577' ' ' HIS . 46.1 m95 -73.34 -17.1 61.33 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.994 -1.113 . . . . 64.1 107.994 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 2.2 m -63.65 -12.33 32.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 65.03 109.952 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 654' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 655' ' ' VAL . 9.2 mmt85 -107.23 -24.84 11.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 62.21 110.272 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 655' ' ' VAL . . . . . 0.767 HG23 HG21 ' A' ' 635' ' ' VAL . 2.4 t -40.41 125.23 1.79 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 63.14 109.277 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 656' ' ' PRO . . . . . 0.691 ' HD2' HD13 ' A' ' 640' ' ' LEU . 18.2 Cg_endo -75.01 -50.09 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.505 1.792 . . . . 64.41 110.97 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 657' ' ' PHE . . . . . 1.019 ' CE1' HG22 ' A' ' 659' ' ' VAL . 19.7 p90 -63.44 150.15 44.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.167 . . . . 62.41 110.971 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 658' ' ' SER . . . . . 0.405 ' O ' HG11 ' A' ' 549' ' ' VAL . 0.1 OUTLIER -83.25 143.21 30.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 75.03 110.002 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 659' ' ' VAL . . . . . 1.019 HG22 ' CE1' ' A' ' 657' ' ' PHE . 1.9 t -121.26 95.44 48.54 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 71.35 109.348 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 660' ' ' PRO . . . . . 0.412 ' O ' ' HA ' ' A' ' 570' ' ' ARG . 18.3 Cg_endo -75.01 147.88 34.48 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.561 1.821 . . . . 62.43 111.013 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 9.4 p30 -59.9 163.8 4.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 72.12 109.272 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 662' ' ' PHE . . . . . 0.447 ' N ' ' O ' ' A' ' 571' ' ' LYS . 62.4 t80 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 73.11 111.012 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 546' ' ' GLN . . . . . 0.584 ' C ' ' CD1' ' A' ' 547' ' ' PHE . 1.8 pt20 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.28 -0.267 . . . . 73.02 110.28 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 547' ' ' PHE . . . . . 0.584 ' CD1' ' C ' ' A' ' 546' ' ' GLN . 0.7 OUTLIER -159.67 99.81 1.51 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 73.53 111.001 179.93 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 548' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 144.24 29.78 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.512 1.796 . . . . 74.03 110.963 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 549' ' ' VAL . . . . . 0.447 HG12 ' HB2' ' A' ' 657' ' ' PHE . 29.1 m -51.35 -44.62 31.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.12 . . . . 51.32 109.275 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -53.91 -28.8 39.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 65.14 110.319 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 8.7 m170 -90.79 -21.83 21.32 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.424 1.078 . . . . 51.53 109.61 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 552' ' ' VAL . . . . . 0.772 HG21 ' HB3' ' A' ' 657' ' ' PHE . 41.8 t -93.07 124.84 45.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 65.23 109.304 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -111.03 148.16 33.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 73.1 110.327 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 554' ' ' LEU . . . . . 0.83 HD11 HD23 ' A' ' 569' ' ' LEU . 0.7 OUTLIER -89.04 112.33 23.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 75.11 109.28 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 555' ' ' LEU . . . . . 0.861 HD11 ' HB2' ' A' ' 641' ' ' GLU . 0.2 OUTLIER -131.96 178.72 6.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 64.3 109.26 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 556' ' ' CYS . . . . . 0.519 ' O ' ' N ' ' A' ' 560' ' ' MET . 2.4 t -107.47 99.12 8.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 114.956 -1.02 . . . . 73.15 110.89 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 557' ' ' ILE . . . . . 0.881 HD13 ' O ' ' A' ' 636' ' ' ARG . 1.2 pt -31.49 -38.83 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 65.21 109.313 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 558' ' ' ASN . . . . . 0.516 ' N ' ' O ' ' A' ' 556' ' ' CYS . 13.7 m-20 -71.99 -64.21 0.98 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 61.14 109.277 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 559' ' ' CYS . . . . . 1.16 ' CB ' ' SG ' ' A' ' 615' ' ' CYS . 6.9 m -74.96 -70.48 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 71.35 108.314 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 560' ' ' MET . . . . . 0.519 ' N ' ' O ' ' A' ' 556' ' ' CYS . 28.1 mtm 79.14 46.37 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 62.34 110.988 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 561' ' ' VAL . . . . . 0.478 ' O ' HG23 ' A' ' 561' ' ' VAL . 1.0 OUTLIER -114.67 15.65 8.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 74.55 109.281 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 562' ' ' ALA . . . . . 0.543 ' CA ' HD23 ' A' ' 555' ' ' LEU . . . 66.07 108.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 52.13 109.296 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 563' ' ' VAL . . . . . 0.793 HG12 ' CD1' ' A' ' 587' ' ' TYR . 1.1 m -107.4 -6.67 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 61.23 109.306 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -178.25 -158.08 20.26 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.465 1.103 . . . . 72.5 111.064 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 565' ' ' HIS . . . . . . . . . . . . . 39.2 m80 -128.83 146.13 51.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 0.746 . . . . 71.11 109.605 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . -75.36 -4.94 75.81 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.526 1.141 . . . . 70.4 111.022 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 567' ' ' SER . . . . . 0.407 ' CB ' HG23 ' A' ' 549' ' ' VAL . 20.2 p -112.18 9.12 20.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 0.793 . . . . 50.01 110.049 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 568' ' ' ASP . . . . . 0.482 ' O ' ' CZ ' ' A' ' 570' ' ' ARG . 4.2 t0 -110.36 -19.46 12.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 50.53 109.321 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 569' ' ' LEU . . . . . 0.833 HD13 HG13 ' A' ' 659' ' ' VAL . 0.1 OUTLIER -83.15 164.47 20.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 63.02 109.31 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 570' ' ' ARG . . . . . 0.482 ' CZ ' ' O ' ' A' ' 568' ' ' ASP . 0.6 OUTLIER -143.83 -177.64 5.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 61.44 110.293 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 571' ' ' LYS . . . . . 0.515 ' HD3' ' CE1' ' A' ' 577' ' ' HIS . 13.3 ttpt -117.81 158.57 24.55 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 72.1 109.31 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 572' ' ' VAL . . . . . 0.589 HG12 ' HG2' ' A' ' 573' ' ' GLU . 2.4 t -125.7 114.03 37.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 71.35 109.32 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 573' ' ' GLU . . . . . 0.589 ' HG2' HG12 ' A' ' 572' ' ' VAL . 17.9 pt-20 41.2 36.94 0.53 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 73.03 110.31 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 39.5 55.15 2.64 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.462 1.101 . . . . 73.14 110.987 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 2.2 m -131.27 -60.66 0.94 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.445 0.732 . . . . 72.13 110.383 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 576' ' ' HIS . . . . . 0.694 ' CE1' ' CZ2' ' A' ' 604' ' ' TRP . 0.0 OUTLIER -133.0 124.62 28.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 65.41 109.635 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 577' ' ' HIS . . . . . 0.537 ' CD2' ' CG ' ' A' ' 652' ' ' TRP . 30.7 m-70 -69.17 156.46 38.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 74.14 109.564 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 578' ' ' VAL . . . . . 0.926 HG12 HG22 ' A' ' 632' ' ' VAL . 18.1 m -155.93 115.19 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 70.11 109.268 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 579' ' ' ASN . . . . . 0.475 ' HB3' ' CD2' ' A' ' 633' ' ' LEU . 10.7 t30 -86.88 111.6 20.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 70.2 109.323 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 580' ' ' VAL . . . . . 0.922 HG22 HD22 ' A' ' 630' ' ' LEU . 3.0 t -81.88 139.24 18.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 73.21 109.273 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 581' ' ' ASN . . . . . 0.476 ' CB ' ' HB2' ' A' ' 584' ' ' PHE . 1.2 m120 178.86 128.44 0.22 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 74.14 109.279 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 582' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -34.08 4.06 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.48 1.779 . . . . 63.11 110.992 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 583' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -79.29 -2.37 41.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 75.31 109.317 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 584' ' ' PHE . . . . . 0.512 ' O ' ' CD2' ' A' ' 588' ' ' TYR . 3.6 t80 -69.2 -32.87 72.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 74.3 110.995 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 585' ' ' SER . . . . . 0.528 ' HA ' ' CE2' ' A' ' 588' ' ' TYR . 84.0 p -56.95 -24.8 55.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 43.2 109.995 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 23.8 m-80 -87.78 -18.5 29.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 75.35 109.264 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 587' ' ' TYR . . . . . 0.793 ' CD1' HG12 ' A' ' 563' ' ' VAL . 4.9 m-85 -91.92 2.23 56.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 71.41 110.964 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 588' ' ' TYR . . . . . 0.734 ' HE1' HG23 ' A' ' 590' ' ' VAL . 1.2 p90 -160.77 159.0 29.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 64.51 111.009 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 589' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -128.41 128.95 45.43 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.472 1.108 . . . . 75.42 109.263 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 590' ' ' VAL . . . . . 0.734 HG23 ' HE1' ' A' ' 588' ' ' TYR . 13.0 t -76.05 133.99 29.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 73.52 109.336 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 11.8 m . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 64.24 109.992 -179.994 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 604' ' ' TRP . . . . . 0.694 ' CZ2' ' CE1' ' A' ' 576' ' ' HIS . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 108.001 -1.111 . . . . 74.23 108.001 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 605' ' ' LYS . . . . . . . . . . . . . 9.8 ptmt -108.92 154.29 41.96 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 72.33 109.284 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 606' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 171.51 18.17 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.434 1.755 . . . . 73.22 111.022 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 607' ' ' GLY . . . . . 0.554 ' H ' HD23 ' A' ' 621' ' ' LEU . . . -133.02 -106.2 0.97 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.492 1.12 . . . . 72.4 110.98 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 608' ' ' GLY . . . . . 0.644 ' HA3' HG13 ' A' ' 590' ' ' VAL . . . -141.97 145.88 16.52 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.006 -0.838 . . . . 75.03 111.006 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 26.3 t -53.85 123.77 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.52 0.776 . . . . 74.23 109.3 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 610' ' ' ILE . . . . . 0.652 HG23 ' CD1' ' A' ' 588' ' ' TYR . 0.6 OUTLIER -92.22 153.23 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 75.21 109.305 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.12 122.81 4.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 75.24 109.957 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 612' ' ' CYS . . . . . 0.45 ' O ' ' N ' ' A' ' 616' ' ' GLY . 25.6 t -48.43 116.99 1.77 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 71.12 108.335 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 9.5 ttt180 -71.81 -25.24 61.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 74.11 110.285 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 614' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -66.04 -35.86 81.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 52.54 109.291 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 615' ' ' CYS . . . . . 1.16 ' SG ' ' CB ' ' A' ' 559' ' ' CYS . 1.4 m -127.42 -73.34 0.61 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.123 . . . . 72.21 108.288 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 616' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 150.98 -18.81 0.96 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.535 1.147 . . . . 61.52 111.026 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -42.08 102.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 0.781 . . . . 71.42 110.33 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 7.5 t -49.33 130.4 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 71.4 109.287 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 619' ' ' TRP . . . . . 0.833 ' CE2' ' HE3' ' A' ' 638' ' ' MET . 39.4 m0 -94.2 -36.21 12.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 74.23 107.994 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 620' ' ' GLY . . . . . . . . . . . . . . . 154.18 -113.5 0.57 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.455 1.097 . . . . 73.32 110.969 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 621' ' ' LEU . . . . . 0.771 HD22 ' C ' ' A' ' 621' ' ' LEU . 0.0 OUTLIER -147.84 155.76 41.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 0.773 . . . . 74.23 109.297 -179.941 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 622' ' ' GLN . . . . . 0.641 ' HA ' HD11 ' A' ' 610' ' ' ILE . 1.1 tt0 -85.02 133.56 34.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 74.04 110.331 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 623' ' ' MET . . . . . 0.539 ' HG3' ' CH2' ' A' ' 604' ' ' TRP . 12.4 mmt -114.61 141.98 47.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 65.44 111.03 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 624' ' ' ILE . . . . . 0.663 HD12 ' N ' ' A' ' 624' ' ' ILE . 3.7 mp -115.37 141.53 31.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 63.2 109.302 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 625' ' ' TYR . . . . . 0.434 ' CE2' ' HG3' ' A' ' 626' ' ' LYS . 21.4 t80 -149.07 110.3 4.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 72.11 110.976 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 626' ' ' LYS . . . . . 0.492 ' O ' ' CB ' ' A' ' 627' ' ' SER . 1.2 mmpt? 68.47 18.54 8.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 74.43 109.306 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 627' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.2 p 85.37 39.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 51.34 109.998 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 628' ' ' VAL . . . . . 0.718 HG12 ' HG ' ' A' ' 630' ' ' LEU . 48.9 t -124.97 113.01 33.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.559 1.162 . . . . 62.51 109.323 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 629' ' ' LYS . . . . . 0.499 ' CE ' ' OE1' ' A' ' 622' ' ' GLN . 5.4 mmmm -71.44 99.38 1.99 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 62.52 109.324 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 630' ' ' LEU . . . . . 0.922 HD22 HG22 ' A' ' 580' ' ' VAL . 56.6 mt -115.55 111.76 43.74 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 73.11 109.313 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 631' ' ' PRO . . . . . 0.632 ' HB2' HD11 ' A' ' 633' ' ' LEU . 18.5 Cg_endo -74.98 129.59 12.5 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.5 1.789 . . . . 72.35 111.019 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 632' ' ' VAL . . . . . 0.951 ' C ' HD13 ' A' ' 633' ' ' LEU . 16.7 t -98.89 109.08 23.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 70.03 109.291 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 633' ' ' LEU . . . . . 0.951 HD13 ' C ' ' A' ' 632' ' ' VAL . 0.0 OUTLIER -111.03 171.73 7.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 53.41 109.327 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 634' ' ' LYS . . . . . 0.438 ' HE3' ' CG ' ' A' ' 636' ' ' ARG . 1.1 mtmt -99.95 -178.15 3.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.095 . . . . 73.13 109.299 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 635' ' ' VAL . . . . . 0.991 HG11 ' C ' ' A' ' 651' ' ' LYS . 13.9 p -102.63 -28.95 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 73.4 109.299 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 636' ' ' ARG . . . . . 0.881 ' O ' HD13 ' A' ' 557' ' ' ILE . 1.6 ptm180 -76.86 -17.59 58.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 72.43 110.265 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 4.9 p -99.47 -11.69 20.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 72.4 110.005 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 638' ' ' MET . . . . . 0.833 ' HE3' ' CE2' ' A' ' 619' ' ' TRP . 32.9 mmt -109.09 129.09 55.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 73.01 111.034 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 639' ' ' LEU . . . . . 0.823 HD12 ' N ' ' A' ' 640' ' ' LEU . 7.2 tp -93.03 141.31 28.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 44.12 109.318 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 640' ' ' LEU . . . . . 0.823 ' N ' HD12 ' A' ' 639' ' ' LEU . 0.7 OUTLIER -109.18 94.37 5.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 71.32 109.253 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 641' ' ' GLU . . . . . 0.861 ' HB2' HD11 ' A' ' 555' ' ' LEU . 7.3 mt-10 -75.43 127.81 33.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 74.32 110.277 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 642' ' ' THR . . . . . 0.588 HG21 HD12 ' A' ' 647' ' ' ILE . 0.2 OUTLIER -136.42 160.31 67.27 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.113 . . . . 63.41 110.379 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 1.96 7.14 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.46 1.768 . . . . 73.4 110.977 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -108.96 -9.09 15.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 71.34 110.313 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 127.18 134.53 3.98 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.521 1.138 . . . . 72.03 110.945 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 646' ' ' ARG . . . . . 0.75 ' HD2' HD21 ' A' ' 639' ' ' LEU . 66.0 mtm180 -46.11 152.32 0.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 0.755 . . . . 71.21 110.258 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 647' ' ' ILE . . . . . 0.588 HD12 HG21 ' A' ' 642' ' ' THR . 35.5 mt -139.76 134.61 38.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 73.42 109.275 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 648' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.92 110.11 9.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.134 . . . . 72.41 110.317 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 649' ' ' ALA . . . . . 0.478 ' CB ' ' HB2' ' A' ' 654' ' ' ARG . . . -101.21 -178.39 3.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 42.41 109.293 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 39.1 mttt -114.14 -13.31 12.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 74.44 109.261 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 651' ' ' LYS . . . . . 0.991 ' C ' HG11 ' A' ' 635' ' ' VAL . 13.7 mmmt -144.24 160.16 41.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 73.1 109.316 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 652' ' ' TRP . . . . . 0.7 ' HA ' HG23 ' A' ' 655' ' ' VAL . 69.0 m95 -74.52 -6.06 46.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 64.43 107.993 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 1.9 t -72.13 -18.37 61.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 74.44 109.972 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 654' ' ' ARG . . . . . 0.478 ' HB2' ' CB ' ' A' ' 649' ' ' ALA . 6.0 mmm-85 -100.58 -17.67 16.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 72.3 110.298 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 655' ' ' VAL . . . . . 0.744 HG13 ' CD1' ' A' ' 657' ' ' PHE . 2.9 t -40.17 118.74 1.43 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 75.21 109.339 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 656' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -42.62 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.532 1.806 . . . . 62.13 111.015 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 657' ' ' PHE . . . . . 0.795 ' CE2' HG22 ' A' ' 659' ' ' VAL . 50.5 p90 -72.71 160.39 32.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 73.13 111.003 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 658' ' ' SER . . . . . 0.443 ' O ' ' CG1' ' A' ' 549' ' ' VAL . 42.2 m -88.68 149.54 23.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 74.53 110.026 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 659' ' ' VAL . . . . . 0.833 HG13 HD13 ' A' ' 569' ' ' LEU . 2.2 t -133.97 95.48 17.07 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 43.2 109.283 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 660' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 148.82 35.69 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.512 1.796 . . . . 71.24 110.981 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 661' ' ' ASP . . . . . 0.414 ' HA ' ' O ' ' A' ' 571' ' ' LYS . 58.3 p30 -54.67 166.6 0.45 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 75.1 109.295 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 662' ' ' PHE . . . . . 0.44 ' N ' ' O ' ' A' ' 571' ' ' LYS . 47.9 t80 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 74.3 110.984 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 546' ' ' GLN . . . . . 0.595 ' C ' ' CD1' ' A' ' 547' ' ' PHE . 3.6 pt20 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.329 -0.249 . . . . 75.5 110.329 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 547' ' ' PHE . . . . . 0.647 ' CD1' ' N ' ' A' ' 547' ' ' PHE . 0.1 OUTLIER -153.16 98.21 2.77 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 74.4 111.03 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 548' ' ' PRO . . . . . 0.597 ' O ' HG23 ' A' ' 552' ' ' VAL . 18.1 Cg_endo -75.0 138.02 22.46 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.492 1.785 . . . . 65.22 111.024 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 549' ' ' VAL . . . . . 0.704 HG12 ' HB2' ' A' ' 657' ' ' PHE . 17.9 m -52.92 -32.26 17.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 73.34 109.258 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 550' ' ' GLU . . . . . 0.451 ' OE2' ' NE2' ' A' ' 551' ' ' HIS . 2.6 pt-20 -66.22 -30.27 70.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 74.22 110.303 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 551' ' ' HIS . . . . . 0.51 ' CG ' ' HG2' ' A' ' 548' ' ' PRO . 23.9 m170 -96.46 -8.92 30.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 75.5 109.556 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 552' ' ' VAL . . . . . 0.653 ' CG1' HD12 ' A' ' 640' ' ' LEU . 86.8 t -103.13 130.12 53.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 74.23 109.261 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 553' ' ' GLN . . . . . 0.762 ' HB3' HD11 ' A' ' 555' ' ' LEU . 10.1 tt0 -119.37 162.33 18.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 71.43 110.311 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 554' ' ' LEU . . . . . 0.84 HD11 HD23 ' A' ' 569' ' ' LEU . 1.3 mt -96.43 108.48 21.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 74.11 109.277 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 555' ' ' LEU . . . . . 0.799 HD12 ' N ' ' A' ' 555' ' ' LEU . 0.4 OUTLIER -120.8 172.03 8.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.571 1.169 . . . . 54.32 109.349 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 556' ' ' CYS . . . . . 0.562 ' O ' ' N ' ' A' ' 560' ' ' MET . 3.5 t -107.96 109.29 20.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.02 -0.991 . . . . 61.11 110.958 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 557' ' ' ILE . . . . . 0.694 HD13 ' O ' ' A' ' 636' ' ' ARG . 0.9 OUTLIER -36.05 -32.23 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.1 . . . . 71.43 109.293 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 558' ' ' ASN . . . . . 0.509 ' N ' ' O ' ' A' ' 556' ' ' CYS . 2.7 m120 -86.23 -67.05 0.84 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 74.41 109.311 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 559' ' ' CYS . . . . . 0.969 ' SG ' ' SG ' ' A' ' 615' ' ' CYS . 3.7 m -62.42 -64.53 0.9 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 64.21 108.306 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 560' ' ' MET . . . . . 0.562 ' N ' ' O ' ' A' ' 556' ' ' CYS . 11.6 mtm 68.24 39.94 2.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 64.55 110.994 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 561' ' ' VAL . . . . . 0.465 ' O ' HG23 ' A' ' 561' ' ' VAL . 0.9 OUTLIER -117.81 11.87 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 75.43 109.301 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 562' ' ' ALA . . . . . 0.403 ' HA ' ' O ' ' A' ' 554' ' ' LEU . . . 66.17 112.44 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 75.02 109.284 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 563' ' ' VAL . . . . . 0.662 HG12 ' CD1' ' A' ' 587' ' ' TYR . 1.0 OUTLIER -106.96 -8.21 10.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 54.45 109.307 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -170.26 -148.71 6.04 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.501 1.125 . . . . 62.23 111.002 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 565' ' ' HIS . . . . . . . . . . . . . 20.9 m80 -138.84 150.17 45.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 0.794 . . . . 50.53 109.613 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 566' ' ' GLY . . . . . 0.657 ' O ' HD11 ' A' ' 569' ' ' LEU . . . -80.49 -12.89 82.48 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.534 1.146 . . . . 64.22 111.008 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 567' ' ' SER . . . . . 0.585 ' OG ' HG23 ' A' ' 549' ' ' VAL . 9.2 t -101.96 2.22 37.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 0.751 . . . . 35.3 110.001 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -106.17 -24.47 12.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 71.43 109.294 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 569' ' ' LEU . . . . . 0.84 HD23 HD11 ' A' ' 554' ' ' LEU . 0.2 OUTLIER -74.18 149.89 40.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 74.41 109.329 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 570' ' ' ARG . . . . . 0.723 ' HA ' HG23 ' A' ' 659' ' ' VAL . 15.2 mmm-85 -137.53 144.93 42.38 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 73.21 110.281 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 571' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' A' ' 662' ' ' PHE . 18.5 ttpt -79.66 158.75 26.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 71.23 109.336 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 572' ' ' VAL . . . . . 0.466 HG23 ' CG2' ' A' ' 578' ' ' VAL . 2.6 t -112.09 107.75 23.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 72.13 109.307 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 573' ' ' GLU . . . . . 0.45 ' HG2' HG12 ' A' ' 572' ' ' VAL . 7.4 pt-20 41.36 36.79 0.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 75.12 110.264 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 574' ' ' GLY . . . . . 0.463 ' HA2' ' CD ' ' A' ' 571' ' ' LYS . . . 49.86 49.4 35.27 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.506 1.129 . . . . 72.11 110.989 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 575' ' ' THR . . . . . 0.414 HG22 ' CG ' ' A' ' 576' ' ' HIS . 1.2 m -125.27 -64.67 1.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 0.768 . . . . 74.25 110.364 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 576' ' ' HIS . . . . . 0.414 ' CG ' HG22 ' A' ' 575' ' ' THR . 13.2 m-70 -127.13 150.71 49.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.138 . . . . 74.31 109.626 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 577' ' ' HIS . . . . . 0.704 ' HE1' HG13 ' A' ' 659' ' ' VAL . 3.5 m-70 -88.0 130.23 35.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 71.42 109.573 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 578' ' ' VAL . . . . . 0.843 HG12 HG22 ' A' ' 632' ' ' VAL . 22.3 m -137.46 108.62 5.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 73.23 109.29 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 579' ' ' ASN . . . . . 0.551 ' ND2' ' CE1' ' A' ' 584' ' ' PHE . 7.2 t30 -79.86 110.07 14.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 71.22 109.331 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 580' ' ' VAL . . . . . 0.841 HG22 HD22 ' A' ' 630' ' ' LEU . 3.3 t -81.51 151.43 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 75.23 109.315 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 581' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 580' ' ' VAL . 0.3 OUTLIER 161.82 126.67 0.01 OUTLIER Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 62.14 109.282 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 582' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -24.61 12.74 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.545 1.813 . . . . 74.52 111.034 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 583' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -81.86 -4.45 56.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 73.03 109.293 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 584' ' ' PHE . . . . . 0.553 ' O ' ' CD2' ' A' ' 588' ' ' TYR . 2.3 t80 -72.46 -32.86 66.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 72.14 111.012 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 585' ' ' SER . . . . . 0.482 ' HA ' ' CE2' ' A' ' 588' ' ' TYR . 9.1 t -57.01 -25.15 58.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.157 . . . . 75.41 110.013 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -87.83 -18.0 30.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 70.31 109.262 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 587' ' ' TYR . . . . . 0.662 ' CD1' HG12 ' A' ' 563' ' ' VAL . 6.5 m-85 -92.5 2.08 56.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 72.04 110.993 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 588' ' ' TYR . . . . . 0.75 ' HE1' HG23 ' A' ' 590' ' ' VAL . 1.6 p90 -161.29 161.1 30.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 61.23 111.051 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 589' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -128.74 126.2 39.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 74.12 109.311 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 590' ' ' VAL . . . . . 0.75 HG23 ' HE1' ' A' ' 588' ' ' TYR . 7.9 t -73.16 141.49 16.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 51.21 109.28 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 591' ' ' SER . . . . . 0.414 ' O ' HG12 ' A' ' 590' ' ' VAL . 7.7 p . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 73.11 110.006 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 604' ' ' TRP . . . . . 0.601 ' CH2' ' SD ' ' A' ' 623' ' ' MET . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 108.003 -1.11 . . . . 71.15 108.003 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 605' ' ' LYS . . . . . . . . . . . . . 22.8 pttt -86.39 163.21 43.09 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 64.21 109.329 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 606' ' ' PRO . . . . . 0.484 ' O ' ' CD1' ' A' ' 624' ' ' ILE . 18.1 Cg_endo -74.99 -166.49 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.466 1.772 . . . . 71.44 111.003 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 607' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 622' ' ' GLN . . . -152.97 -101.5 0.21 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.524 1.14 . . . . 51.12 111.027 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 608' ' ' GLY . . . . . 0.66 ' HA3' HG13 ' A' ' 590' ' ' VAL . . . -151.05 152.15 24.01 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 110.999 -0.84 . . . . 74.25 110.999 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 13.4 t -56.53 128.3 16.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.536 0.786 . . . . 74.52 109.291 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 610' ' ' ILE . . . . . 0.53 HG23 ' CD1' ' A' ' 588' ' ' TYR . 0.6 OUTLIER -91.25 149.54 4.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 52.22 109.301 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -153.87 114.81 4.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.169 . . . . 75.0 110.028 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 612' ' ' CYS . . . . . 0.439 ' HB2' ' CE2' ' A' ' 619' ' ' TRP . 19.2 t -48.23 122.36 5.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 72.24 108.288 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -69.92 -27.42 64.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 71.42 110.292 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 614' ' ' ASN . . . . . 0.411 ' ND2' HG22 ' A' ' 561' ' ' VAL . 98.0 m-20 -66.84 -38.87 87.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 64.34 109.28 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 615' ' ' CYS . . . . . 0.969 ' SG ' ' SG ' ' A' ' 559' ' ' CYS . 0.0 OUTLIER -122.94 -76.89 0.59 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 54.31 108.338 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 616' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 147.69 -17.72 1.44 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.528 1.143 . . . . 75.52 110.976 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -42.9 102.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 0.756 . . . . 75.51 110.3 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 23.9 t -50.63 118.97 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 50.24 109.3 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 619' ' ' TRP . . . . . 0.792 ' CE2' ' HE3' ' A' ' 638' ' ' MET . 41.7 m0 -83.76 -22.56 31.87 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.014 -1.106 . . . . 74.33 108.014 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 620' ' ' GLY . . . . . . . . . . . . . . . 145.89 -116.44 0.89 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.513 1.133 . . . . 34.5 111.001 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 621' ' ' LEU . . . . . 0.659 HD22 ' C ' ' A' ' 621' ' ' LEU . 0.0 OUTLIER -145.66 161.58 39.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 0.747 . . . . 73.11 109.279 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 622' ' ' GLN . . . . . 0.572 ' N ' HD22 ' A' ' 621' ' ' LEU . 1.2 tt0 -93.96 136.82 33.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 75.14 110.28 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 623' ' ' MET . . . . . 0.601 ' SD ' ' CH2' ' A' ' 604' ' ' TRP . 13.9 mtp -119.43 136.55 54.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 74.12 111.008 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 624' ' ' ILE . . . . . 0.484 ' CD1' ' O ' ' A' ' 606' ' ' PRO . 4.6 mp -110.08 132.97 56.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 75.3 109.292 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 625' ' ' TYR . . . . . 0.566 ' C ' ' CD1' ' A' ' 625' ' ' TYR . 0.2 OUTLIER -137.74 117.11 12.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.128 . . . . 55.14 111.024 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 626' ' ' LYS . . . . . 0.505 ' O ' ' CB ' ' A' ' 627' ' ' SER . 0.8 OUTLIER 56.22 22.65 6.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 65.32 109.31 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 627' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.2 p 85.88 42.04 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 51.51 110.038 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 628' ' ' VAL . . . . . 0.772 HG12 ' HG ' ' A' ' 630' ' ' LEU . 53.9 t -127.68 112.53 28.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 64.22 109.278 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 629' ' ' LYS . . . . . 0.486 ' CE ' ' OE1' ' A' ' 622' ' ' GLN . 6.5 mmmm -75.7 100.54 4.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 70.01 109.303 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 630' ' ' LEU . . . . . 0.841 HD22 HG22 ' A' ' 580' ' ' VAL . 30.8 mt -119.01 111.69 36.94 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 64.3 109.343 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 631' ' ' PRO . . . . . 0.772 ' HB2' HD11 ' A' ' 633' ' ' LEU . 18.1 Cg_endo -75.04 136.92 20.96 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.536 1.809 . . . . 75.13 110.964 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 632' ' ' VAL . . . . . 0.843 HG22 HG12 ' A' ' 578' ' ' VAL . 5.1 t -102.13 99.0 7.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.133 . . . . 73.33 109.287 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 633' ' ' LEU . . . . . 0.857 ' N ' HD13 ' A' ' 633' ' ' LEU . 0.0 OUTLIER -102.51 171.77 7.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 73.12 109.34 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 634' ' ' LYS . . . . . 0.452 ' CD ' ' O ' ' A' ' 619' ' ' TRP . 0.0 OUTLIER -105.56 -165.34 1.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 72.02 109.301 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 635' ' ' VAL . . . . . 0.73 HG13 ' CE2' ' A' ' 652' ' ' TRP . 0.0 OUTLIER -112.0 -30.47 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 70.12 109.307 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 636' ' ' ARG . . . . . 0.694 ' O ' HD13 ' A' ' 557' ' ' ILE . 8.9 ptm180 -74.06 -3.2 27.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 71.23 110.314 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 4.8 p -114.5 -11.43 12.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 62.22 109.981 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 638' ' ' MET . . . . . 0.792 ' HE3' ' CE2' ' A' ' 619' ' ' TRP . 29.0 mmt -112.5 133.7 54.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 74.1 111.008 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 639' ' ' LEU . . . . . 0.798 HD21 ' HB3' ' A' ' 646' ' ' ARG . 0.9 OUTLIER -110.3 111.97 23.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 72.22 109.281 -179.938 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 640' ' ' LEU . . . . . 0.658 HD11 ' CE1' ' A' ' 657' ' ' PHE . 2.0 mm? -79.89 112.24 16.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 74.03 109.277 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 641' ' ' GLU . . . . . 0.545 ' HG3' HD22 ' A' ' 555' ' ' LEU . 2.5 mt-10 -74.45 135.66 42.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 63.34 110.304 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 642' ' ' THR . . . . . 0.864 HG21 HD12 ' A' ' 647' ' ' ILE . 7.6 p -141.51 158.65 62.89 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 54.12 110.387 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -18.31 18.87 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.482 1.78 . . . . 72.0 111.019 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -88.7 -7.89 55.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 72.14 110.291 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 126.11 135.67 4.3 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.492 1.12 . . . . 45.32 111.003 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 646' ' ' ARG . . . . . 0.798 ' HB3' HD21 ' A' ' 639' ' ' LEU . 15.5 mtm-85 -43.95 152.64 0.16 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 0.765 . . . . 74.41 110.268 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 647' ' ' ILE . . . . . 0.864 HD12 HG21 ' A' ' 642' ' ' THR . 27.5 mt -135.43 139.36 46.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 73.14 109.318 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 648' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.52 109.68 9.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 63.41 110.29 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 649' ' ' ALA . . . . . . . . . . . . . . . -119.68 169.5 10.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 74.11 109.324 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 650' ' ' LYS . . . . . 0.543 ' C ' HG23 ' A' ' 635' ' ' VAL . 2.2 mtmt -116.62 -4.86 11.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 72.22 109.325 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 651' ' ' LYS . . . . . 0.405 ' HD3' ' N ' ' A' ' 651' ' ' LYS . 0.0 OUTLIER -128.74 133.35 48.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 62.43 109.295 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 652' ' ' TRP . . . . . 0.73 ' CE2' HG13 ' A' ' 635' ' ' VAL . 69.5 m95 -65.02 -13.79 58.79 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.99 -1.115 . . . . 74.14 107.99 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 10.8 t -69.21 -13.82 62.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 63.35 110.005 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 654' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 655' ' ' VAL . 4.5 mmm180 -102.95 -22.79 13.77 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.506 1.129 . . . . 65.22 110.275 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 655' ' ' VAL . . . . . 0.78 HG13 ' CD1' ' A' ' 657' ' ' PHE . 2.2 t -39.94 130.62 1.54 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 72.33 109.319 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 656' ' ' PRO . . . . . 0.471 ' HB2' ' CG ' ' A' ' 547' ' ' PHE . 18.3 Cg_endo -75.01 -52.27 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.507 1.793 . . . . 61.05 111.005 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 657' ' ' PHE . . . . . 0.78 ' CD1' HG13 ' A' ' 655' ' ' VAL . 41.1 p90 -65.26 172.25 3.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 75.3 110.981 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 1.4 m -119.49 149.96 41.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.437 1.086 . . . . 65.34 110.056 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 659' ' ' VAL . . . . . 0.723 HG23 ' HA ' ' A' ' 570' ' ' ARG . 0.1 OUTLIER -149.77 107.12 3.26 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 41.42 109.295 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 660' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 167.63 26.63 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.507 1.793 . . . . 63.11 111.042 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -60.5 160.26 9.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 64.55 109.306 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 662' ' ' PHE . . . . . 0.468 ' N ' ' O ' ' A' ' 571' ' ' LYS . 37.5 t80 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 74.02 111.003 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 546' ' ' GLN . . . . . 0.437 ' O ' ' NE2' ' A' ' 644' ' ' GLN . 3.2 pt20 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.275 -0.268 . . . . 65.03 110.275 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -149.73 101.73 3.25 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 64.33 111.003 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 548' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 141.65 26.92 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.479 1.778 . . . . 53.1 111.001 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 549' ' ' VAL . . . . . 0.596 HG11 ' O ' ' A' ' 658' ' ' SER . 35.3 m -50.02 -45.68 23.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 75.42 109.287 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -53.97 -30.25 46.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 51.5 110.272 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 13.0 m170 -88.69 -26.89 21.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 64.54 109.557 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 552' ' ' VAL . . . . . 0.759 HG21 ' HB3' ' A' ' 657' ' ' PHE . 55.7 t -84.26 124.62 39.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 64.33 109.262 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 553' ' ' GLN . . . . . 0.515 ' OE1' ' CE1' ' A' ' 565' ' ' HIS . 7.7 tt0 -112.51 149.59 32.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 73.51 110.327 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 554' ' ' LEU . . . . . 1.021 HD11 HD23 ' A' ' 569' ' ' LEU . 1.4 mt -93.28 113.63 25.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 74.44 109.289 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 555' ' ' LEU . . . . . 0.808 HD11 ' HB2' ' A' ' 641' ' ' GLU . 0.2 OUTLIER -134.54 -179.92 5.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 65.35 109.33 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 556' ' ' CYS . . . . . 0.548 ' O ' ' N ' ' A' ' 560' ' ' MET . 5.1 t -107.53 102.33 11.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 114.994 -1.003 . . . . 65.45 110.912 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 557' ' ' ILE . . . . . 0.736 HD13 ' O ' ' A' ' 636' ' ' ARG . 1.2 pt -34.71 -34.46 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 74.15 109.311 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 558' ' ' ASN . . . . . 0.506 ' N ' ' O ' ' A' ' 556' ' ' CYS . 3.0 m120 -73.86 -62.31 1.54 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 63.23 109.28 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 559' ' ' CYS . . . . . 1.169 ' CB ' ' SG ' ' A' ' 615' ' ' CYS . 1.3 m -80.02 -68.33 0.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 62.11 108.308 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 560' ' ' MET . . . . . 0.548 ' N ' ' O ' ' A' ' 556' ' ' CYS . 23.2 mtm 78.07 47.94 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 73.24 111.009 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 561' ' ' VAL . . . . . 0.672 ' O ' ' HB3' ' A' ' 562' ' ' ALA . 0.9 OUTLIER -108.86 -2.86 10.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 73.25 109.309 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 562' ' ' ALA . . . . . 0.672 ' HB3' ' O ' ' A' ' 561' ' ' VAL . . . 83.49 99.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 73.12 109.288 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 563' ' ' VAL . . . . . 0.658 HG12 ' CD1' ' A' ' 587' ' ' TYR . 2.6 m -97.41 -5.35 9.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 72.45 109.349 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . 178.84 -160.91 26.94 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.522 1.139 . . . . 63.42 110.995 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 565' ' ' HIS . . . . . 0.515 ' CE1' ' OE1' ' A' ' 553' ' ' GLN . 14.8 m-70 -125.72 147.73 49.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 0.782 . . . . 74.3 109.611 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 566' ' ' GLY . . . . . 0.61 ' O ' HD11 ' A' ' 569' ' ' LEU . . . -71.51 -13.09 74.1 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.556 1.16 . . . . 63.22 110.999 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 20.3 p -104.73 8.36 34.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 0.783 . . . . 65.41 110.0 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -110.17 -13.64 14.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 74.12 109.303 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 569' ' ' LEU . . . . . 1.021 HD23 HD11 ' A' ' 554' ' ' LEU . 0.2 OUTLIER -88.19 150.91 23.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 61.42 109.264 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 570' ' ' ARG . . . . . 0.687 ' HA ' HG23 ' A' ' 659' ' ' VAL . 1.5 mpt_? -123.83 -175.1 3.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 70.32 110.294 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 571' ' ' LYS . . . . . 0.593 ' HB2' HG22 ' A' ' 659' ' ' VAL . 12.4 ttmt -124.34 158.1 33.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 62.52 109.267 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 572' ' ' VAL . . . . . 0.47 HG12 ' HG2' ' A' ' 573' ' ' GLU . 2.8 t -130.47 104.36 9.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.128 . . . . 71.01 109.321 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 573' ' ' GLU . . . . . 0.47 ' HG2' HG12 ' A' ' 572' ' ' VAL . 24.4 pt-20 41.35 35.59 0.44 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 52.4 110.328 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 41.29 47.43 4.49 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.509 1.13 . . . . 75.41 111.013 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 575' ' ' THR . . . . . 0.433 ' O ' ' CG ' ' A' ' 576' ' ' HIS . 2.1 m -111.69 -44.36 3.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 0.787 . . . . 63.42 110.405 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 576' ' ' HIS . . . . . 0.468 ' O ' HG13 ' A' ' 578' ' ' VAL . 29.8 m80 -159.22 121.09 3.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 74.21 109.606 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 577' ' ' HIS . . . . . 0.753 ' CD2' ' CE3' ' A' ' 652' ' ' TRP . 6.6 m80 -58.48 142.7 48.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 75.14 109.623 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 578' ' ' VAL . . . . . 0.709 HG12 HG22 ' A' ' 632' ' ' VAL . 23.7 m -143.83 108.6 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 62.04 109.315 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 579' ' ' ASN . . . . . 0.737 ' ND2' ' CE1' ' A' ' 584' ' ' PHE . 7.7 t30 -80.38 109.07 14.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 73.23 109.284 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 580' ' ' VAL . . . . . 0.831 HG22 HD22 ' A' ' 630' ' ' LEU . 2.3 t -82.28 149.03 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 70.42 109.295 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 581' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 580' ' ' VAL . 0.3 OUTLIER 161.94 135.19 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 65.03 109.308 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 582' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -43.53 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.487 1.782 . . . . 70.22 110.966 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 583' ' ' ASN . . . . . 0.406 ' OD1' ' N ' ' A' ' 583' ' ' ASN . 0.8 OUTLIER -60.98 -15.31 30.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 75.34 109.326 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 584' ' ' PHE . . . . . 0.737 ' CE1' ' ND2' ' A' ' 579' ' ' ASN . 1.9 t80 -63.45 -34.55 78.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 73.43 111.021 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 585' ' ' SER . . . . . 0.459 ' HA ' ' CE2' ' A' ' 588' ' ' TYR . 13.7 p -57.7 -25.75 60.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 61.13 109.999 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 -87.62 -16.86 33.27 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 73.32 109.265 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 587' ' ' TYR . . . . . 0.658 ' CD1' HG12 ' A' ' 563' ' ' VAL . 5.4 m-85 -92.72 -3.06 55.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 75.44 110.994 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 588' ' ' TYR . . . . . 0.742 ' HE1' HG23 ' A' ' 590' ' ' VAL . 1.7 p90 -155.78 160.13 40.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 73.32 111.022 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 589' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -128.97 124.28 34.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 74.22 109.3 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 590' ' ' VAL . . . . . 0.742 HG23 ' HE1' ' A' ' 588' ' ' TYR . 12.6 t -73.58 134.38 29.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 72.15 109.278 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 30.8 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 63.21 110.006 179.944 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 604' ' ' TRP . . . . . 0.482 ' CE3' ' HB3' ' A' ' 623' ' ' MET . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 108.057 -1.09 . . . . 74.43 108.057 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 605' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.93 162.84 19.86 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 70.2 109.281 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 606' ' ' PRO . . . . . 0.598 ' O ' HD13 ' A' ' 624' ' ' ILE . 18.4 Cg_endo -74.98 -178.22 4.01 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.454 1.765 . . . . 71.22 111.019 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 607' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 622' ' ' GLN . . . -142.24 -86.11 0.09 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.461 1.101 . . . . 73.11 111.018 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 608' ' ' GLY . . . . . 0.694 ' HA3' HG13 ' A' ' 590' ' ' VAL . . . -160.06 144.83 10.46 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.972 -0.851 . . . . 40.35 110.972 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 21.4 t -52.51 128.18 11.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.494 0.761 . . . . 64.5 109.327 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 610' ' ' ILE . . . . . 0.611 HD11 ' HA ' ' A' ' 622' ' ' GLN . 0.7 OUTLIER -95.73 144.49 10.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.141 . . . . 73.0 109.314 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 611' ' ' SER . . . . . 0.405 ' O ' ' HA ' ' A' ' 588' ' ' TYR . 0.1 OUTLIER -141.77 123.99 15.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 72.54 109.961 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 612' ' ' CYS . . . . . 0.463 ' O ' ' N ' ' A' ' 616' ' ' GLY . 28.2 t -56.25 109.25 0.57 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 65.12 108.312 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 9.3 ttt180 -64.93 -32.6 74.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 74.41 110.288 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 614' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -57.79 -47.68 81.86 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 73.12 109.268 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 615' ' ' CYS . . . . . 1.169 ' SG ' ' CB ' ' A' ' 559' ' ' CYS . 1.9 m -118.37 -73.46 0.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 72.31 108.281 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 616' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 154.49 -20.86 0.62 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.483 1.114 . . . . 64.25 111.042 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -42.17 102.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 0.775 . . . . 64.22 110.267 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 41.4 t -53.77 120.98 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 54.15 109.288 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 619' ' ' TRP . . . . . 0.629 ' CE2' ' HE3' ' A' ' 638' ' ' MET . 48.7 m0 -78.95 -41.23 29.82 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.98 -1.119 . . . . 72.43 107.98 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 620' ' ' GLY . . . . . . . . . . . . . . . 158.41 -112.01 0.51 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.5 1.125 . . . . 35.21 110.999 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 621' ' ' LEU . . . . . 0.738 HD22 ' C ' ' A' ' 621' ' ' LEU . 0.0 OUTLIER -147.18 154.23 40.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 0.753 . . . . 72.34 109.239 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 622' ' ' GLN . . . . . 0.621 ' N ' HD22 ' A' ' 621' ' ' LEU . 1.1 tt0 -85.75 135.96 33.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 74.21 110.322 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 623' ' ' MET . . . . . 0.561 ' HG3' HG21 ' A' ' 632' ' ' VAL . 9.2 mmt -115.3 145.35 42.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 73.15 110.988 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 624' ' ' ILE . . . . . 0.652 HD12 ' N ' ' A' ' 624' ' ' ILE . 3.9 mp -114.89 141.01 33.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 73.43 109.26 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 625' ' ' TYR . . . . . 0.565 ' CE2' ' HG3' ' A' ' 626' ' ' LYS . 8.4 t80 -147.77 114.44 6.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 75.24 110.981 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 626' ' ' LYS . . . . . 0.565 ' HG3' ' CE2' ' A' ' 625' ' ' TYR . 0.0 OUTLIER 66.63 17.39 10.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 50.01 109.278 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 627' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.1 p 85.34 39.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.088 . . . . 75.41 110.031 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 628' ' ' VAL . . . . . 0.705 HG12 ' HG ' ' A' ' 630' ' ' LEU . 54.5 t -125.42 123.12 64.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.153 . . . . 62.31 109.324 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 629' ' ' LYS . . . . . 0.411 ' HE3' ' CG1' ' A' ' 624' ' ' ILE . 5.0 mmmm -75.46 99.61 4.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 73.02 109.286 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 630' ' ' LEU . . . . . 0.831 HD22 HG22 ' A' ' 580' ' ' VAL . 32.8 mt -119.68 111.65 35.95 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 72.31 109.289 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 631' ' ' PRO . . . . . 0.745 ' HB2' HD11 ' A' ' 633' ' ' LEU . 18.4 Cg_endo -74.95 135.9 19.79 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.532 1.806 . . . . 73.51 111.001 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 632' ' ' VAL . . . . . 0.788 ' C ' HD13 ' A' ' 633' ' ' LEU . 18.8 t -103.28 100.13 9.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 74.51 109.26 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 633' ' ' LEU . . . . . 0.809 ' N ' HD13 ' A' ' 633' ' ' LEU . 0.0 OUTLIER -101.73 171.6 7.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 74.43 109.309 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 634' ' ' LYS . . . . . 0.439 ' CD ' ' O ' ' A' ' 619' ' ' TRP . 2.8 mtpt -96.09 -176.77 3.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.138 . . . . 72.33 109.311 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 635' ' ' VAL . . . . . 0.835 HG11 ' C ' ' A' ' 651' ' ' LYS . 7.5 p -107.16 -23.83 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 73.21 109.293 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 636' ' ' ARG . . . . . 0.736 ' O ' HD13 ' A' ' 557' ' ' ILE . 8.7 ptp180 -85.88 -4.32 59.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 72.23 110.293 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 4.4 m -109.8 -15.67 14.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 65.12 109.958 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 638' ' ' MET . . . . . 0.629 ' HE3' ' CE2' ' A' ' 619' ' ' TRP . 32.8 mmt -106.47 127.21 53.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 62.04 111.031 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 639' ' ' LEU . . . . . 0.928 HD21 ' HD2' ' A' ' 646' ' ' ARG . 8.6 tp -90.45 141.65 28.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 62.42 109.293 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 640' ' ' LEU . . . . . 0.455 HD13 ' C ' ' A' ' 639' ' ' LEU . 0.6 OUTLIER -108.99 93.7 4.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 73.23 109.287 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 641' ' ' GLU . . . . . 0.808 ' HB2' HD11 ' A' ' 555' ' ' LEU . 7.0 mt-10 -73.57 120.93 19.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 73.45 110.292 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 642' ' ' THR . . . . . 0.442 HG21 HD12 ' A' ' 647' ' ' ILE . 0.1 OUTLIER -131.69 159.76 70.49 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 72.15 110.404 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 1.69 7.48 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.442 1.759 . . . . 75.1 110.964 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 644' ' ' GLN . . . . . 0.437 ' NE2' ' O ' ' A' ' 546' ' ' GLN . 5.8 mt-30 -111.35 -4.7 14.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 62.45 110.309 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 123.79 144.16 6.44 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.496 1.122 . . . . 23.0 110.994 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 646' ' ' ARG . . . . . 0.928 ' HD2' HD21 ' A' ' 639' ' ' LEU . 51.7 mtm-85 -58.86 152.15 19.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 0.764 . . . . 72.0 110.278 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 647' ' ' ILE . . . . . 0.442 HD12 HG21 ' A' ' 642' ' ' THR . 15.6 mt -137.28 127.23 37.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 74.21 109.308 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 648' ' ' GLN . . . . . 0.713 ' OE1' HD12 ' A' ' 557' ' ' ILE . 0.0 OUTLIER -120.82 95.38 4.69 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.143 . . . . 54.34 110.285 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 649' ' ' ALA . . . . . . . . . . . . . . . -88.73 176.08 7.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 53.02 109.261 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 26.2 mttm -111.53 -29.56 7.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 73.43 109.31 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 651' ' ' LYS . . . . . 0.835 ' C ' HG11 ' A' ' 635' ' ' VAL . 0.6 OUTLIER -126.44 155.42 42.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.437 1.086 . . . . 74.3 109.298 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 652' ' ' TRP . . . . . 0.753 ' CE3' ' CD2' ' A' ' 577' ' ' HIS . 64.9 m95 -73.36 -6.88 49.03 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.967 -1.123 . . . . 73.02 107.967 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 28.8 t -73.0 -19.24 61.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 72.1 110.024 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 654' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 655' ' ' VAL . 3.2 mmm180 -101.57 -15.41 17.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 74.22 110.294 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 655' ' ' VAL . . . . . 0.674 HG23 ' HA ' ' A' ' 652' ' ' TRP . 2.3 t -40.0 127.06 1.62 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.436 1.085 . . . . 63.43 109.266 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 656' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -50.85 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.451 1.764 . . . . 65.44 110.999 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 657' ' ' PHE . . . . . 0.759 ' HB3' HG21 ' A' ' 552' ' ' VAL . 52.5 p90 -67.5 163.25 21.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 71.35 111.042 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 658' ' ' SER . . . . . 0.596 ' O ' HG11 ' A' ' 549' ' ' VAL . 0.7 OUTLIER -110.37 150.28 29.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 73.32 109.988 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 659' ' ' VAL . . . . . 0.687 HG23 ' HA ' ' A' ' 570' ' ' ARG . 0.1 OUTLIER -150.78 104.49 3.04 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 72.1 109.329 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 660' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 155.88 43.03 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.512 1.796 . . . . 72.1 111.01 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -42.52 161.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 74.15 109.313 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 662' ' ' PHE . . . . . 0.449 ' N ' ' O ' ' A' ' 571' ' ' LYS . 27.5 t80 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 72.0 110.988 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 546' ' ' GLN . . . . . 0.605 ' C ' ' CD1' ' A' ' 547' ' ' PHE . 10.0 mt-30 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.291 -0.263 . . . . 55.31 110.291 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 547' ' ' PHE . . . . . 0.645 ' CD1' ' N ' ' A' ' 547' ' ' PHE . 0.1 OUTLIER -153.12 98.67 2.75 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 70.32 110.984 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 548' ' ' PRO . . . . . 0.527 ' O ' HG23 ' A' ' 552' ' ' VAL . 18.3 Cg_endo -74.97 140.81 25.99 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.482 1.78 . . . . 72.4 111.003 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 549' ' ' VAL . . . . . 0.627 HG12 ' HB2' ' A' ' 657' ' ' PHE . 31.5 m -52.51 -46.75 48.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 72.41 109.3 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 550' ' ' GLU . . . . . 0.408 ' N ' HG23 ' A' ' 549' ' ' VAL . 2.4 pt-20 -54.21 -24.12 17.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 73.13 110.274 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 551' ' ' HIS . . . . . 0.508 ' CG ' ' HG2' ' A' ' 548' ' ' PRO . 35.7 m170 -99.54 -24.53 14.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.581 1.175 . . . . 73.11 109.592 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 552' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 548' ' ' PRO . 79.2 t -91.05 117.99 35.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 72.43 109.314 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 553' ' ' GLN . . . . . 0.594 ' HB3' HD11 ' A' ' 555' ' ' LEU . 9.2 tt0 -99.59 168.46 9.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 73.01 110.309 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 554' ' ' LEU . . . . . 0.921 HD11 HD23 ' A' ' 569' ' ' LEU . 1.9 mt -108.26 108.56 19.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 64.15 109.284 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 555' ' ' LEU . . . . . 0.85 HD12 ' N ' ' A' ' 555' ' ' LEU . 0.1 OUTLIER -121.87 174.34 6.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 63.22 109.295 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 556' ' ' CYS . . . . . 0.565 ' O ' ' N ' ' A' ' 560' ' ' MET . 3.8 t -107.46 108.57 19.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 114.992 -1.004 . . . . 72.51 110.95 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 557' ' ' ILE . . . . . 0.835 HD13 ' O ' ' A' ' 636' ' ' ARG . 0.7 OUTLIER -35.23 -32.64 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 64.13 109.306 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 558' ' ' ASN . . . . . 0.527 ' N ' ' O ' ' A' ' 556' ' ' CYS . 4.4 m-20 -84.93 -67.06 0.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 75.13 109.309 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 559' ' ' CYS . . . . . 1.151 ' CB ' ' SG ' ' A' ' 615' ' ' CYS . 4.1 m -64.08 -64.52 0.87 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 71.11 108.298 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 560' ' ' MET . . . . . 0.565 ' N ' ' O ' ' A' ' 556' ' ' CYS . 10.6 mtm 68.63 42.06 1.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 64.44 110.953 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 561' ' ' VAL . . . . . 0.464 ' O ' HG23 ' A' ' 561' ' ' VAL . 0.9 OUTLIER -116.56 10.96 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 72.42 109.334 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 562' ' ' ALA . . . . . 0.416 ' HA ' ' HG ' ' A' ' 555' ' ' LEU . . . 66.11 109.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 51.24 109.285 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 563' ' ' VAL . . . . . 0.79 HG12 ' CD1' ' A' ' 587' ' ' TYR . 0.8 OUTLIER -103.34 -12.03 9.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 72.21 109.288 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -167.17 -142.25 3.39 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.5 1.125 . . . . 65.22 110.991 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 565' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -150.8 155.19 38.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 0.748 . . . . 72.43 109.606 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . -74.39 -12.43 82.11 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.531 1.144 . . . . 71.35 111.024 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 3.1 p -108.61 12.75 25.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 0.731 . . . . 72.5 110.004 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -112.59 -32.33 6.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 71.3 109.295 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 569' ' ' LEU . . . . . 0.921 HD23 HD11 ' A' ' 554' ' ' LEU . 0.1 OUTLIER -76.92 170.39 16.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 63.34 109.292 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 570' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -146.66 -175.34 4.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 73.45 110.301 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 571' ' ' LYS . . . . . 0.55 ' HD3' ' CE1' ' A' ' 577' ' ' HIS . 19.7 ttpt -126.75 158.64 35.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.127 . . . . 71.35 109.263 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 572' ' ' VAL . . . . . 1.013 HG23 HG21 ' A' ' 578' ' ' VAL . 2.4 t -121.35 111.16 30.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.163 . . . . 53.33 109.287 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 573' ' ' GLU . . . . . 0.417 ' HG2' HG12 ' A' ' 572' ' ' VAL . 6.3 pt-20 40.12 37.74 0.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 75.24 110.274 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 41.59 47.93 4.84 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.511 1.132 . . . . 74.51 110.978 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 2.7 m -119.21 -49.74 2.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 0.757 . . . . 50.2 110.409 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 23.1 m80 -146.47 106.15 3.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 64.43 109.615 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 577' ' ' HIS . . . . . 0.55 ' CE1' ' HD3' ' A' ' 571' ' ' LYS . 29.8 m-70 -46.41 126.72 8.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 75.21 109.556 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 578' ' ' VAL . . . . . 1.113 HG12 HG22 ' A' ' 632' ' ' VAL . 2.5 m -125.45 123.53 65.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 74.22 109.333 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 579' ' ' ASN . . . . . 0.637 ' ND2' HD23 ' A' ' 633' ' ' LEU . 0.9 OUTLIER -93.82 128.14 39.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 74.05 109.262 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 580' ' ' VAL . . . . . 0.508 HG22 HD22 ' A' ' 630' ' ' LEU . 2.4 t -104.64 134.15 46.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 62.45 109.322 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 581' ' ' ASN . . . . . 0.47 ' CB ' ' HB2' ' A' ' 584' ' ' PHE . 2.1 m120 176.38 130.05 0.17 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.463 1.102 . . . . 65.24 109.318 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 582' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -36.21 2.65 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.465 1.771 . . . . 74.54 110.983 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 583' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -75.96 -2.5 30.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 71.21 109.328 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 584' ' ' PHE . . . . . 0.605 ' CE2' HD21 ' A' ' 633' ' ' LEU . 3.4 t80 -71.9 -31.96 66.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 73.11 111.026 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 585' ' ' SER . . . . . 0.516 ' HA ' ' CE2' ' A' ' 588' ' ' TYR . 10.2 p -59.71 -21.4 60.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 73.42 109.953 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -87.39 -16.88 33.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 73.14 109.303 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 587' ' ' TYR . . . . . 0.79 ' CD1' HG12 ' A' ' 563' ' ' VAL . 10.4 m-85 -96.08 6.39 48.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 71.41 110.961 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 588' ' ' TYR . . . . . 0.607 ' HE1' HG23 ' A' ' 590' ' ' VAL . 2.0 p90 -165.53 157.6 14.94 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.457 1.098 . . . . 61.53 111.054 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 589' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -127.86 122.37 32.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 75.35 109.277 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 590' ' ' VAL . . . . . 0.753 HG13 ' HA3' ' A' ' 608' ' ' GLY . 16.4 t -74.71 133.57 31.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 73.12 109.306 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 13.0 t . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 75.12 109.945 -179.995 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 604' ' ' TRP . . . . . 0.571 ' HZ3' HG11 ' A' ' 578' ' ' VAL . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 108.01 -1.108 . . . . 74.33 108.01 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 605' ' ' LYS . . . . . . . . . . . . . 16.2 pttt -117.0 165.65 14.9 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 72.2 109.319 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 606' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 165.71 30.78 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.508 1.793 . . . . 60.01 110.998 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 607' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 622' ' ' GLN . . . -130.66 -101.78 0.92 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.498 1.124 . . . . 70.32 110.99 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 608' ' ' GLY . . . . . 0.753 ' HA3' HG13 ' A' ' 590' ' ' VAL . . . -146.73 146.49 16.48 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.94 -0.864 . . . . 51.01 110.94 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 37.2 t -55.08 124.61 8.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 0.764 . . . . 65.24 109.266 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 610' ' ' ILE . . . . . 0.556 HD11 ' HA ' ' A' ' 622' ' ' GLN . 0.7 OUTLIER -92.59 143.79 10.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 70.41 109.3 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.83 120.7 8.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 70.52 109.987 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 612' ' ' CYS . . . . . 0.503 ' HB2' ' CE2' ' A' ' 619' ' ' TRP . 37.8 t -47.84 121.1 3.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 73.33 108.297 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 8.3 ttt-85 -70.27 -27.82 64.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 75.42 110.312 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 614' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -66.42 -38.15 86.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 74.14 109.316 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 615' ' ' CYS . . . . . 1.151 ' SG ' ' CB ' ' A' ' 559' ' ' CYS . 0.0 OUTLIER -122.14 -76.05 0.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 74.05 108.294 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 616' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 148.46 -17.0 1.29 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.504 1.128 . . . . 54.03 111.047 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -42.09 102.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 0.748 . . . . 72.53 110.323 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 618' ' ' VAL . . . . . 0.446 ' O ' ' NZ ' ' A' ' 634' ' ' LYS . 25.0 t -53.98 103.42 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 55.23 109.298 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 619' ' ' TRP . . . . . 0.702 ' CE2' ' HE3' ' A' ' 638' ' ' MET . 37.0 m0 -62.5 -49.62 74.65 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.021 -1.103 . . . . 62.13 108.021 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 620' ' ' GLY . . . . . . . . . . . . . . . 174.56 -111.9 0.38 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.532 1.145 . . . . 65.35 110.947 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 621' ' ' LEU . . . . . 0.755 HD22 ' C ' ' A' ' 621' ' ' LEU . 0.0 OUTLIER -150.61 155.0 38.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 0.776 . . . . 64.54 109.253 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 622' ' ' GLN . . . . . 0.633 ' N ' HD22 ' A' ' 621' ' ' LEU . 0.9 OUTLIER -87.53 132.75 33.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 63.14 110.283 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 623' ' ' MET . . . . . 0.555 ' HB3' ' CE3' ' A' ' 604' ' ' TRP . 10.1 mmt -109.28 141.39 41.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 74.13 110.97 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 624' ' ' ILE . . . . . . . . . . . . . 4.4 mp -115.08 117.34 55.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 71.23 109.3 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 625' ' ' TYR . . . . . 0.599 ' C ' ' CD1' ' A' ' 625' ' ' TYR . 0.1 OUTLIER -113.09 115.42 28.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 64.43 111.029 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 626' ' ' LYS . . . . . 0.506 ' HE2' ' CA ' ' A' ' 626' ' ' LYS . 0.8 OUTLIER 60.35 22.41 11.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 71.21 109.292 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 627' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.2 p 84.29 42.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 40.14 109.993 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 628' ' ' VAL . . . . . 0.886 HG12 ' HG ' ' A' ' 630' ' ' LEU . 53.4 t -126.38 112.7 30.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 74.44 109.315 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 6.0 mmmm -62.4 98.23 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 72.5 109.296 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 630' ' ' LEU . . . . . 0.886 ' HG ' HG12 ' A' ' 628' ' ' VAL . 96.4 mt -125.82 112.09 24.82 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 61.24 109.28 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 631' ' ' PRO . . . . . 0.445 ' HA ' ' HA ' ' A' ' 622' ' ' GLN . 18.4 Cg_endo -74.98 162.18 37.6 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.473 1.775 . . . . 52.42 110.971 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 632' ' ' VAL . . . . . 1.113 HG22 HG12 ' A' ' 578' ' ' VAL . 21.7 t -134.78 102.34 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 75.41 109.32 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 633' ' ' LEU . . . . . 0.767 ' N ' HD13 ' A' ' 633' ' ' LEU . 0.1 OUTLIER -98.44 171.86 7.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 54.2 109.315 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 634' ' ' LYS . . . . . 0.533 ' HZ3' ' HA ' ' A' ' 619' ' ' TRP . 2.9 mtmm -105.4 -172.99 2.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 74.33 109.29 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 635' ' ' VAL . . . . . 0.924 HG11 ' C ' ' A' ' 651' ' ' LYS . 7.0 p -109.19 -12.97 10.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 74.14 109.302 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 636' ' ' ARG . . . . . 0.835 ' O ' HD13 ' A' ' 557' ' ' ILE . 0.2 OUTLIER -80.71 -35.73 33.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 75.43 110.288 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 1.3 t -89.79 -7.9 53.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.579 1.174 . . . . 73.15 110.037 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 638' ' ' MET . . . . . 0.702 ' HE3' ' CE2' ' A' ' 619' ' ' TRP . 32.9 mmt -109.96 124.72 51.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 71.11 111.018 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 639' ' ' LEU . . . . . 0.75 HD21 ' HB3' ' A' ' 646' ' ' ARG . 0.6 OUTLIER -100.04 142.67 31.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 74.14 109.307 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 640' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -106.68 119.12 38.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 72.53 109.324 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 641' ' ' GLU . . . . . 0.495 ' CD ' HD21 ' A' ' 555' ' ' LEU . 8.6 mt-10 -90.3 128.56 36.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 75.42 110.318 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 642' ' ' THR . . . . . 0.564 HG21 HD12 ' A' ' 647' ' ' ILE . 0.5 OUTLIER -140.29 160.41 59.91 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 55.51 110.346 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 1.94 7.18 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.454 1.765 . . . . 75.11 110.995 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 644' ' ' GLN . . . . . 0.443 ' OE1' ' CE2' ' A' ' 547' ' ' PHE . 15.7 mt-30 -107.44 -9.48 15.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 75.44 110.277 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 125.16 143.69 6.12 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.456 1.098 . . . . 74.21 111.007 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 646' ' ' ARG . . . . . 0.75 ' HB3' HD21 ' A' ' 639' ' ' LEU . 51.3 mtm180 -50.74 150.6 2.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 0.787 . . . . 72.04 110.328 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 647' ' ' ILE . . . . . 0.564 HD12 HG21 ' A' ' 642' ' ' THR . 51.2 mt -136.71 120.21 22.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 74.35 109.308 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 648' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.48 110.62 16.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 70.03 110.335 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 649' ' ' ALA . . . . . . . . . . . . . . . -120.63 154.36 35.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.089 . . . . 31.54 109.28 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 8.9 mttp -98.71 9.02 44.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 72.1 109.307 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 651' ' ' LYS . . . . . 0.924 ' C ' HG11 ' A' ' 635' ' ' VAL . 0.9 OUTLIER -145.79 138.85 26.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 73.53 109.258 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 652' ' ' TRP . . . . . 0.546 ' N ' HG11 ' A' ' 635' ' ' VAL . 42.0 m95 -70.79 -9.25 57.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 72.42 107.994 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 42.3 m -65.87 -10.49 38.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 73.03 109.962 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 654' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 655' ' ' VAL . 5.1 mmt180 -106.77 -23.33 12.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 74.32 110.273 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 655' ' ' VAL . . . . . 0.769 HG13 ' CD2' ' A' ' 657' ' ' PHE . 2.6 t -40.24 117.38 1.33 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 62.34 109.28 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 656' ' ' PRO . . . . . 0.505 ' HB2' ' CG ' ' A' ' 547' ' ' PHE . 18.5 Cg_endo -74.9 -42.44 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.501 1.79 . . . . 74.43 111.006 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 657' ' ' PHE . . . . . 0.895 ' CE1' HG22 ' A' ' 659' ' ' VAL . 37.7 p90 -69.52 155.31 40.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 72.11 110.965 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 658' ' ' SER . . . . . 0.503 ' O ' HG11 ' A' ' 549' ' ' VAL . 0.7 OUTLIER -85.69 146.03 27.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 72.33 109.976 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 659' ' ' VAL . . . . . 0.895 HG22 ' CE1' ' A' ' 657' ' ' PHE . 2.0 t -126.53 100.53 28.64 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 72.55 109.303 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 660' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 147.36 34.04 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.451 1.764 . . . . 75.4 111.014 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 661' ' ' ASP . . . . . 0.404 ' HA ' ' O ' ' A' ' 571' ' ' LYS . 5.0 p-10 -70.1 169.38 13.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 71.24 109.317 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 662' ' ' PHE . . . . . 0.442 ' N ' ' O ' ' A' ' 571' ' ' LYS . 35.2 t80 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.1 . . . . 74.32 110.98 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 546' ' ' GLN . . . . . 0.522 ' C ' ' CD1' ' A' ' 547' ' ' PHE . 2.8 pt20 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 110.309 -0.256 . . . . 73.32 110.309 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 547' ' ' PHE . . . . . 0.582 ' CD1' ' N ' ' A' ' 547' ' ' PHE . 0.7 OUTLIER -145.56 103.03 4.27 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 74.3 110.96 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 548' ' ' PRO . . . . . 0.454 ' HB2' ' CG ' ' A' ' 550' ' ' GLU . 18.3 Cg_endo -75.03 141.05 26.07 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.444 1.76 . . . . 74.1 110.99 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 549' ' ' VAL . . . . . 0.534 HG12 ' HB2' ' A' ' 657' ' ' PHE . 31.2 m -49.16 -42.57 15.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 74.14 109.305 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 550' ' ' GLU . . . . . 0.454 ' CG ' ' HB2' ' A' ' 548' ' ' PRO . 2.9 pt-20 -54.35 -33.88 59.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 74.52 110.272 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -82.49 -26.73 32.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 74.14 109.596 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 552' ' ' VAL . . . . . 0.72 HG11 ' CD2' ' A' ' 657' ' ' PHE . 45.9 t -87.42 121.49 38.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 73.33 109.303 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 553' ' ' GLN . . . . . 0.537 HE21 ' CD2' ' A' ' 565' ' ' HIS . 32.8 tt0 -110.85 145.03 38.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 65.11 110.278 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 554' ' ' LEU . . . . . 0.988 HD11 HD23 ' A' ' 569' ' ' LEU . 1.3 mt -86.08 113.18 21.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 71.34 109.277 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 555' ' ' LEU . . . . . 0.856 HD11 ' HB2' ' A' ' 641' ' ' GLU . 0.2 OUTLIER -133.81 -179.85 5.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 65.22 109.265 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 556' ' ' CYS . . . . . 0.548 ' O ' ' N ' ' A' ' 560' ' ' MET . 5.1 t -107.26 102.49 11.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.008 -0.996 . . . . 52.23 110.895 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 557' ' ' ILE . . . . . 0.784 HD13 ' O ' ' A' ' 636' ' ' ARG . 1.2 pt -35.62 -33.37 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 72.44 109.298 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 558' ' ' ASN . . . . . 0.501 ' N ' ' O ' ' A' ' 556' ' ' CYS . 2.9 m120 -76.38 -62.56 1.58 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 71.44 109.336 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 559' ' ' CYS . . . . . 1.123 ' CB ' ' SG ' ' A' ' 615' ' ' CYS . 11.6 m -76.04 -67.94 0.63 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.521 1.138 . . . . 64.15 108.278 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 560' ' ' MET . . . . . 0.548 ' N ' ' O ' ' A' ' 556' ' ' CYS . 24.9 mtm 76.57 48.55 0.07 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.474 1.109 . . . . 64.32 111.032 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 561' ' ' VAL . . . . . 0.656 ' O ' ' HB3' ' A' ' 562' ' ' ALA . 1.0 OUTLIER -113.59 -2.71 10.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 55.14 109.264 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 562' ' ' ALA . . . . . 0.817 ' CA ' HD23 ' A' ' 555' ' ' LEU . . . 83.39 108.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.145 . . . . 64.31 109.249 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 563' ' ' VAL . . . . . 0.679 HG12 ' CD1' ' A' ' 587' ' ' TYR . 1.6 m -105.92 -8.24 10.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 71.21 109.28 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -178.29 -159.93 23.73 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.494 1.121 . . . . 63.4 110.995 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 565' ' ' HIS . . . . . 0.537 ' CD2' HE21 ' A' ' 553' ' ' GLN . 70.7 m80 -126.97 145.21 50.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.537 0.786 . . . . 73.23 109.57 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . -75.8 0.54 61.42 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.498 1.124 . . . . 71.42 111.008 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 567' ' ' SER . . . . . 0.513 ' CB ' HG23 ' A' ' 549' ' ' VAL . 24.9 p -118.79 8.24 11.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 0.759 . . . . 72.44 110.011 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -111.96 -17.01 12.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 43.34 109.276 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 569' ' ' LEU . . . . . 0.988 HD23 HD11 ' A' ' 554' ' ' LEU . 0.1 OUTLIER -87.51 163.84 16.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 71.34 109.284 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 570' ' ' ARG . . . . . 0.404 ' CD ' ' HA ' ' A' ' 662' ' ' PHE . 48.7 mtt-85 -147.19 177.63 9.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 72.55 110.282 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 571' ' ' LYS . . . . . 0.57 ' HD3' ' CE1' ' A' ' 577' ' ' HIS . 20.9 mtmt -108.1 119.87 40.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 73.51 109.263 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 572' ' ' VAL . . . . . 0.769 HG11 ' CE3' ' A' ' 604' ' ' TRP . 2.5 t -77.97 114.94 19.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 75.25 109.255 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 573' ' ' GLU . . . . . 0.569 ' HG2' HG12 ' A' ' 572' ' ' VAL . 13.1 pt-20 45.69 34.6 1.82 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 73.42 110.341 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 46.02 41.36 10.78 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.518 1.136 . . . . 72.11 110.978 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 1.8 m -108.64 -53.97 2.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 0.736 . . . . 73.13 110.402 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 14.6 m-70 -147.54 144.31 28.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 65.32 109.602 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 577' ' ' HIS . . . . . 0.726 ' CG ' ' CE3' ' A' ' 652' ' ' TRP . 16.3 m-70 -70.86 128.57 36.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 74.31 109.6 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 578' ' ' VAL . . . . . 0.861 HG12 ' HA ' ' A' ' 632' ' ' VAL . 15.6 m -137.11 128.05 40.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 54.33 109.275 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 579' ' ' ASN . . . . . 0.525 ' ND2' ' CE1' ' A' ' 584' ' ' PHE . 11.0 t30 -91.83 125.39 36.52 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 73.32 109.302 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 580' ' ' VAL . . . . . 0.641 HG22 HD22 ' A' ' 630' ' ' LEU . 2.5 t -100.08 129.74 50.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 73.41 109.299 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 581' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 176.25 141.85 0.22 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 74.12 109.305 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 582' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -42.49 0.5 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.466 1.771 . . . . 60.2 111.015 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 583' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -58.88 -16.66 18.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 63.31 109.29 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 584' ' ' PHE . . . . . 0.525 ' CE1' ' ND2' ' A' ' 579' ' ' ASN . 1.6 t80 -63.51 -33.49 75.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.111 . . . . 75.3 110.955 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 47.8 t -60.11 -28.66 68.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 60.41 109.966 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -87.04 -7.6 57.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 54.13 109.299 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 587' ' ' TYR . . . . . 0.679 ' CD1' HG12 ' A' ' 563' ' ' VAL . 2.4 m-85 -102.01 0.43 35.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 61.41 110.977 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 588' ' ' TYR . . . . . 0.744 ' HE1' HG23 ' A' ' 590' ' ' VAL . 0.9 OUTLIER -162.09 158.55 24.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 73.23 111.048 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 589' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -132.76 117.59 18.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 74.34 109.297 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 590' ' ' VAL . . . . . 0.744 HG23 ' HE1' ' A' ' 588' ' ' TYR . 12.9 t -72.57 141.65 16.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.127 . . . . 72.33 109.31 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 8.9 t . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 71.24 109.962 -179.957 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 604' ' ' TRP . . . . . 0.769 ' CE3' HG11 ' A' ' 572' ' ' VAL . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 108.024 -1.102 . . . . 71.24 108.024 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 605' ' ' LYS . . . . . . . . . . . . . 14.9 ptmt -105.45 156.08 36.93 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 74.24 109.351 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 606' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 175.0 11.82 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.465 1.771 . . . . 71.43 110.967 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 607' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 622' ' ' GLN . . . -136.97 -95.87 0.42 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.474 1.109 . . . . 62.33 110.988 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 608' ' ' GLY . . . . . 0.504 ' HA3' HG13 ' A' ' 590' ' ' VAL . . . -158.34 147.71 15.88 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 111.023 -0.831 . . . . 65.31 111.023 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 47.4 t -56.91 123.59 8.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.447 0.734 . . . . 74.34 109.303 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 610' ' ' ILE . . . . . 0.561 HG23 ' CD1' ' A' ' 588' ' ' TYR . 0.9 OUTLIER -91.2 144.67 8.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 70.41 109.318 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.31 133.55 33.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 73.12 109.983 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 612' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 616' ' ' GLY . 21.8 t -60.43 116.28 4.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 75.53 108.268 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 12.5 ttt180 -71.25 -25.22 62.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 71.34 110.323 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 614' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -67.38 -32.31 73.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 71.34 109.253 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 615' ' ' CYS . . . . . 1.123 ' SG ' ' CB ' ' A' ' 559' ' ' CYS . 0.8 OUTLIER -133.96 -73.76 0.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 72.34 108.266 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 616' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 153.58 -20.81 0.71 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.483 1.114 . . . . 65.42 110.986 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -42.27 104.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 0.79 . . . . 61.13 110.289 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 98.4 t -54.4 131.32 16.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 60.24 109.26 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 619' ' ' TRP . . . . . 0.721 ' CE2' ' HE3' ' A' ' 638' ' ' MET . 50.7 m0 -90.71 -53.26 4.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 74.31 108.0 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 620' ' ' GLY . . . . . . . . . . . . . . . 179.54 -107.44 0.22 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.548 1.155 . . . . 55.13 110.981 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 621' ' ' LEU . . . . . 0.8 ' C ' HD23 ' A' ' 621' ' ' LEU . 0.0 OUTLIER -157.34 161.38 39.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 0.761 . . . . 72.51 109.275 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 622' ' ' GLN . . . . . 0.416 ' O ' ' N ' ' A' ' 607' ' ' GLY . 0.1 OUTLIER -89.54 137.67 32.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 62.32 110.345 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 623' ' ' MET . . . . . 0.715 ' HG2' HD21 ' A' ' 621' ' ' LEU . 4.4 mmt -124.77 132.4 53.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 44.4 110.996 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 624' ' ' ILE . . . . . 0.419 HD12 ' N ' ' A' ' 624' ' ' ILE . 5.4 mp -103.12 145.49 12.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 73.52 109.293 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 625' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -153.79 107.84 3.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 75.03 111.007 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 626' ' ' LYS . . . . . 0.499 ' O ' ' CB ' ' A' ' 627' ' ' SER . 1.2 mmpt? 69.73 18.89 7.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.145 . . . . 64.3 109.31 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 627' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.2 p 85.66 40.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 74.21 109.993 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 628' ' ' VAL . . . . . 0.885 HG12 ' HG ' ' A' ' 630' ' ' LEU . 47.3 t -129.68 113.12 26.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 74.22 109.256 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm -72.37 99.38 2.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 74.51 109.298 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 630' ' ' LEU . . . . . 0.885 ' HG ' HG12 ' A' ' 628' ' ' VAL . 17.4 mt -114.62 111.85 45.97 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 74.45 109.307 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 631' ' ' PRO . . . . . 0.651 ' HB2' HD11 ' A' ' 633' ' ' LEU . 18.3 Cg_endo -74.96 137.34 21.68 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.506 1.793 . . . . 61.24 111.012 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 632' ' ' VAL . . . . . 0.861 ' HA ' HG12 ' A' ' 578' ' ' VAL . 57.8 t -99.96 98.37 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 74.21 109.294 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 633' ' ' LEU . . . . . 0.763 ' N ' HD13 ' A' ' 633' ' ' LEU . 0.1 OUTLIER -99.42 171.75 7.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 63.33 109.31 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 634' ' ' LYS . . . . . 0.703 ' HZ1' ' HD2' ' A' ' 636' ' ' ARG . 0.5 OUTLIER -114.37 -170.87 1.81 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 73.31 109.269 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 635' ' ' VAL . . . . . 0.779 HG13 ' CE2' ' A' ' 652' ' ' TRP . 0.2 OUTLIER -106.24 -44.1 7.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.429 1.08 . . . . 74.12 109.298 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 636' ' ' ARG . . . . . 0.784 ' O ' HD13 ' A' ' 557' ' ' ILE . 3.3 ptt180 -62.84 -12.39 24.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 60.25 110.327 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 1.9 t -106.87 -17.58 14.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 75.42 110.001 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 638' ' ' MET . . . . . 0.721 ' HE3' ' CE2' ' A' ' 619' ' ' TRP . 34.4 mmt -106.99 134.24 50.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.148 . . . . 65.42 110.981 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 639' ' ' LEU . . . . . 0.717 HD12 ' H ' ' A' ' 640' ' ' LEU . 12.1 tp -96.46 138.67 33.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 73.1 109.367 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 640' ' ' LEU . . . . . 0.717 ' H ' HD12 ' A' ' 639' ' ' LEU . 20.4 mt -107.65 91.68 3.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.132 . . . . 75.42 109.319 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 641' ' ' GLU . . . . . 0.856 ' HB2' HD11 ' A' ' 555' ' ' LEU . 6.2 mt-10 -74.07 122.83 23.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 75.1 110.285 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 642' ' ' THR . . . . . 0.498 HG21 HD12 ' A' ' 647' ' ' ILE . 0.1 OUTLIER -133.93 159.65 71.61 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 73.2 110.434 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 1.2 8.03 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.503 1.791 . . . . 75.51 111.027 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 644' ' ' GLN . . . . . 0.43 ' NE2' ' O ' ' A' ' 546' ' ' GLN . 13.2 mt-30 -111.05 -1.98 16.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 73.44 110.337 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 120.96 136.51 5.1 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.539 1.15 . . . . 72.21 110.999 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 646' ' ' ARG . . . . . 0.661 ' CD ' HD21 ' A' ' 639' ' ' LEU . 7.4 mtp180 -53.37 148.0 9.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 0.767 . . . . 60.34 110.289 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 647' ' ' ILE . . . . . 0.498 HD12 HG21 ' A' ' 642' ' ' THR . 12.6 mt -136.42 121.43 26.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 74.24 109.324 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 648' ' ' GLN . . . . . 0.48 HE21 HD12 ' A' ' 557' ' ' ILE . 0.8 OUTLIER -114.75 110.1 19.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 75.45 110.281 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 649' ' ' ALA . . . . . . . . . . . . . . . -114.94 162.15 17.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 70.42 109.323 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 650' ' ' LYS . . . . . 0.534 ' C ' HG23 ' A' ' 635' ' ' VAL . 22.1 mttp -111.09 -14.06 13.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 53.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 651' ' ' LYS . . . . . 0.458 ' CB ' ' NH1' ' A' ' 654' ' ' ARG . 20.9 mmmt -121.88 128.38 51.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 62.12 109.292 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 652' ' ' TRP . . . . . 0.779 ' CE2' HG13 ' A' ' 635' ' ' VAL . 59.5 m95 -65.29 -19.91 66.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 72.31 108.03 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 2.7 t -66.48 -16.57 64.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 73.14 109.991 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 654' ' ' ARG . . . . . 0.458 ' NH1' ' CB ' ' A' ' 651' ' ' LYS . 10.0 mmt-85 -103.09 -25.31 13.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 73.34 110.287 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 655' ' ' VAL . . . . . 0.713 HG13 ' CD2' ' A' ' 657' ' ' PHE . 2.1 t -40.08 133.05 1.51 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 73.52 109.325 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 656' ' ' PRO . . . . . 0.553 ' HD2' HD13 ' A' ' 640' ' ' LEU . 18.4 Cg_endo -75.03 -55.17 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.508 1.794 . . . . 51.34 111.007 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 657' ' ' PHE . . . . . 0.906 ' CE1' HG22 ' A' ' 659' ' ' VAL . 20.5 p90 -60.5 148.62 37.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 72.05 110.98 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.95 147.76 27.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 73.4 110.028 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 659' ' ' VAL . . . . . 0.906 HG22 ' CE1' ' A' ' 657' ' ' PHE . 1.5 t -125.59 103.55 28.36 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 64.45 109.261 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 660' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 147.01 33.38 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.506 1.792 . . . . 74.4 111.039 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 661' ' ' ASP . . . . . 0.426 ' HA ' ' O ' ' A' ' 571' ' ' LYS . 11.7 m-20 -69.26 140.83 54.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 74.13 109.289 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 662' ' ' PHE . . . . . 0.499 ' CE2' HD21 ' A' ' 630' ' ' LEU . 5.2 t80 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 71.22 111.005 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 546' ' ' GLN . . . . . 0.543 ' C ' ' CD1' ' A' ' 547' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.346 -0.242 . . . . 72.41 110.346 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 547' ' ' PHE . . . . . 0.543 ' CD1' ' C ' ' A' ' 546' ' ' GLN . 2.4 m-85 -151.66 103.4 2.88 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 74.33 111.001 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 548' ' ' PRO . . . . . 0.441 ' HB2' ' CG ' ' A' ' 550' ' ' GLU . 18.2 Cg_endo -75.04 139.24 23.95 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.462 1.769 . . . . 64.4 110.958 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 549' ' ' VAL . . . . . 0.612 HG12 ' HB2' ' A' ' 657' ' ' PHE . 29.0 m -49.07 -41.93 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 73.24 109.344 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 550' ' ' GLU . . . . . 0.441 ' CG ' ' HB2' ' A' ' 548' ' ' PRO . 1.7 pt-20 -54.51 -34.39 61.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 62.14 110.253 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -83.86 -19.26 35.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 62.31 109.626 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 552' ' ' VAL . . . . . 0.673 HG21 ' HB3' ' A' ' 657' ' ' PHE . 41.3 t -93.46 129.77 43.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 73.23 109.323 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 553' ' ' GLN . . . . . 0.631 ' O ' HD12 ' A' ' 555' ' ' LEU . 12.8 tt0 -119.15 140.89 49.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 71.41 110.295 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 554' ' ' LEU . . . . . 1.005 HD11 HD23 ' A' ' 569' ' ' LEU . 0.9 OUTLIER -82.56 112.28 19.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 71.32 109.336 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 555' ' ' LEU . . . . . 0.631 HD12 ' O ' ' A' ' 553' ' ' GLN . 0.3 OUTLIER -133.07 179.77 5.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 62.32 109.266 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 556' ' ' CYS . . . . . 0.533 ' O ' ' N ' ' A' ' 560' ' ' MET . 5.1 t -104.57 101.63 11.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 114.983 -1.008 . . . . 72.53 110.963 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 557' ' ' ILE . . . . . 0.952 HD13 ' O ' ' A' ' 636' ' ' ARG . 1.5 pt -31.94 -37.95 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 74.25 109.27 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 558' ' ' ASN . . . . . 0.518 ' N ' ' O ' ' A' ' 556' ' ' CYS . 2.7 m120 -74.95 -62.04 1.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 75.45 109.261 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 559' ' ' CYS . . . . . 1.055 ' CB ' ' SG ' ' A' ' 615' ' ' CYS . 3.2 m -73.97 -70.74 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 74.42 108.338 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 560' ' ' MET . . . . . 0.533 ' N ' ' O ' ' A' ' 556' ' ' CYS . 28.5 mtm 77.47 41.63 0.14 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 55.43 111.022 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 561' ' ' VAL . . . . . 0.682 ' O ' ' HB3' ' A' ' 562' ' ' ALA . 1.0 OUTLIER -105.8 -2.16 9.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 53.21 109.276 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 562' ' ' ALA . . . . . 0.682 ' HB3' ' O ' ' A' ' 561' ' ' VAL . . . 84.46 102.96 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 75.34 109.293 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 563' ' ' VAL . . . . . 0.642 HG12 ' CD1' ' A' ' 587' ' ' TYR . 0.9 OUTLIER -102.91 -6.4 9.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 51.32 109.298 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -177.45 -162.07 27.02 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.447 1.092 . . . . 55.41 111.011 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 565' ' ' HIS . . . . . . . . . . . . . 14.5 m-70 -126.41 148.64 49.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 0.765 . . . . 63.52 109.632 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . -73.21 -10.35 78.26 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.51 1.131 . . . . 74.55 110.983 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -113.83 8.93 17.49 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.485 0.756 . . . . 55.34 109.986 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -106.43 -18.41 13.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 74.14 109.317 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 569' ' ' LEU . . . . . 1.005 HD23 HD11 ' A' ' 554' ' ' LEU . 0.1 OUTLIER -90.42 164.2 14.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 64.13 109.356 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 570' ' ' ARG . . . . . 0.44 ' CB ' ' HA ' ' A' ' 662' ' ' PHE . 13.7 mmt180 -142.29 -172.94 3.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 71.31 110.288 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 571' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 660' ' ' PRO . 17.0 ttmt -116.93 118.81 33.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 75.35 109.34 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 572' ' ' VAL . . . . . 0.999 HG23 HG21 ' A' ' 578' ' ' VAL . 2.4 t -77.78 112.73 16.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 63.42 109.251 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 573' ' ' GLU . . . . . 0.591 ' HG2' HG12 ' A' ' 572' ' ' VAL . 9.8 pt-20 46.52 34.01 2.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 72.32 110.332 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 44.49 39.63 5.88 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.5 1.125 . . . . 63.34 110.995 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 575' ' ' THR . . . . . 0.405 ' CB ' ' HG3' ' A' ' 573' ' ' GLU . 11.1 m -109.9 -50.64 2.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 0.745 . . . . 74.31 110.411 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 33.8 m80 -149.38 131.62 15.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 70.52 109.612 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 577' ' ' HIS . . . . . 0.712 ' CD2' ' CD2' ' A' ' 652' ' ' TRP . 11.1 m-70 -57.71 143.36 42.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 73.15 109.618 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 578' ' ' VAL . . . . . 0.999 HG21 HG23 ' A' ' 572' ' ' VAL . 15.6 m -149.67 130.98 4.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 63.52 109.324 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 579' ' ' ASN . . . . . 0.459 ' HA ' ' CB ' ' A' ' 569' ' ' LEU . 6.8 t-20 -95.44 129.61 42.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 64.41 109.34 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 580' ' ' VAL . . . . . 0.608 HG13 HD23 ' A' ' 630' ' ' LEU . 2.5 t -107.68 130.3 60.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 75.43 109.283 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 581' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 176.29 142.66 0.23 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 71.2 109.32 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 582' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -42.52 0.49 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.503 1.791 . . . . 71.34 110.967 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 583' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -59.43 -16.32 22.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 75.44 109.292 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 584' ' ' PHE . . . . . 0.523 ' O ' ' CD2' ' A' ' 588' ' ' TYR . 1.5 t80 -63.37 -36.13 82.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 73.21 111.014 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 5.3 t -58.89 -27.52 65.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 73.44 110.003 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -87.38 -11.97 47.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 52.13 109.298 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 587' ' ' TYR . . . . . 0.642 ' CD1' HG12 ' A' ' 563' ' ' VAL . 2.4 m-85 -97.56 7.22 46.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 54.11 110.962 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 588' ' ' TYR . . . . . 0.875 ' CD1' HG23 ' A' ' 610' ' ' ILE . 1.2 p90 -168.51 159.1 10.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 73.15 110.978 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 589' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -130.38 130.74 44.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 63.32 109.32 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 590' ' ' VAL . . . . . 0.637 HG13 ' HA3' ' A' ' 608' ' ' GLY . 21.3 t -72.46 134.46 29.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 70.14 109.306 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 98.8 p . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.123 . . . . 64.11 109.991 179.972 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 604' ' ' TRP . . . . . 0.687 ' CE3' HG11 ' A' ' 572' ' ' VAL . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 108.009 -1.108 . . . . 74.52 108.009 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 605' ' ' LYS . . . . . 0.99 ' NZ ' HD13 ' A' ' 624' ' ' ILE . 7.4 ptmm? -109.83 157.49 37.53 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 60.43 109.297 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 606' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 176.24 10.17 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.473 1.775 . . . . 74.33 110.988 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 607' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 622' ' ' GLN . . . -141.0 -108.78 0.74 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.493 1.121 . . . . 73.3 110.998 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 608' ' ' GLY . . . . . 0.637 ' HA3' HG13 ' A' ' 590' ' ' VAL . . . -146.75 149.8 21.99 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.961 -0.856 . . . . 51.33 110.961 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 609' ' ' VAL . . . . . 0.485 HG13 ' O ' ' A' ' 620' ' ' GLY . 11.8 t -56.72 126.12 13.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.457 0.74 . . . . 64.01 109.332 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 610' ' ' ILE . . . . . 0.875 HG23 ' CD1' ' A' ' 588' ' ' TYR . 0.9 OUTLIER -96.23 157.5 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 71.14 109.332 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -158.35 119.56 3.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 63.25 109.996 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 612' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 616' ' ' GLY . 11.8 t -44.74 117.92 1.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 74.42 108.328 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 2.4 ttt-85 -71.16 -24.86 62.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 74.01 110.303 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 614' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -67.89 -37.53 81.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 71.34 109.283 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 615' ' ' CYS . . . . . 1.055 ' SG ' ' CB ' ' A' ' 559' ' ' CYS . 1.4 m -123.11 -73.86 0.63 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 72.43 108.317 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 616' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 148.26 -18.22 1.35 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.542 1.151 . . . . 73.14 110.991 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -43.04 103.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 0.756 . . . . 73.31 110.338 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 24.9 t -49.53 120.99 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 71.2 109.305 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 619' ' ' TRP . . . . . 0.728 ' CE2' ' HE3' ' A' ' 638' ' ' MET . 38.7 m0 -80.74 -43.08 20.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 74.41 107.998 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 620' ' ' GLY . . . . . 0.485 ' O ' HG13 ' A' ' 609' ' ' VAL . . . 161.01 -100.68 0.19 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.475 1.109 . . . . 52.51 110.999 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 621' ' ' LEU . . . . . 0.644 HD22 ' C ' ' A' ' 621' ' ' LEU . 0.0 OUTLIER -160.77 159.07 29.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 0.788 . . . . 74.15 109.258 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 622' ' ' GLN . . . . . 0.476 ' N ' HD22 ' A' ' 621' ' ' LEU . 0.3 OUTLIER -93.16 147.16 23.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 75.22 110.29 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 623' ' ' MET . . . . . 0.603 ' SD ' ' CZ2' ' A' ' 604' ' ' TRP . 12.1 mtp -132.9 139.7 47.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 73.5 110.951 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 624' ' ' ILE . . . . . 0.99 HD13 ' NZ ' ' A' ' 605' ' ' LYS . 4.9 mp -108.1 147.05 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 73.23 109.308 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 625' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -150.65 120.48 7.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 72.41 111.008 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 626' ' ' LYS . . . . . 0.521 ' O ' ' CB ' ' A' ' 627' ' ' SER . 0.0 OUTLIER 58.54 17.71 5.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 74.04 109.269 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 627' ' ' SER . . . . . 0.521 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.2 p 86.42 38.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 72.13 109.959 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 628' ' ' VAL . . . . . 0.859 HG12 ' HG ' ' A' ' 630' ' ' LEU . 46.8 t -127.33 109.27 20.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.12 . . . . 72.55 109.334 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 3.0 mmmm -64.07 99.19 0.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 65.04 109.309 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 630' ' ' LEU . . . . . 0.859 ' HG ' HG12 ' A' ' 628' ' ' VAL . 25.9 mt -118.47 111.54 38.02 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 74.53 109.319 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 631' ' ' PRO . . . . . 0.436 ' HB2' HD11 ' A' ' 633' ' ' LEU . 18.3 Cg_endo -74.98 165.95 30.24 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.475 1.776 . . . . 72.12 111.027 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 632' ' ' VAL . . . . . 0.804 ' C ' HD13 ' A' ' 633' ' ' LEU . 15.7 t -131.36 102.37 6.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 73.13 109.332 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 633' ' ' LEU . . . . . 0.806 ' N ' HD13 ' A' ' 633' ' ' LEU . 0.0 OUTLIER -102.85 171.21 7.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.47 1.106 . . . . 45.5 109.327 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 634' ' ' LYS . . . . . 0.487 ' CD ' ' O ' ' A' ' 619' ' ' TRP . 4.8 mtpt -99.31 -172.54 2.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 71.33 109.317 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 635' ' ' VAL . . . . . 0.69 HG21 HG23 ' A' ' 655' ' ' VAL . 9.0 p -109.61 -19.86 6.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 71.12 109.319 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 636' ' ' ARG . . . . . 0.952 ' O ' HD13 ' A' ' 557' ' ' ILE . 0.8 OUTLIER -84.65 -29.34 25.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 71.54 110.284 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 1.9 t -88.07 -9.39 53.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 71.2 110.022 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 638' ' ' MET . . . . . 0.728 ' HE3' ' CE2' ' A' ' 619' ' ' TRP . 32.7 mmt -109.95 127.95 55.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 74.01 111.015 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 639' ' ' LEU . . . . . 0.868 HD12 ' H ' ' A' ' 640' ' ' LEU . 6.2 tp -96.13 150.09 20.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 74.02 109.333 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 640' ' ' LEU . . . . . 0.868 ' H ' HD12 ' A' ' 639' ' ' LEU . 13.8 mt -117.23 100.23 7.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 73.01 109.266 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 641' ' ' GLU . . . . . 0.527 ' HB2' HD11 ' A' ' 555' ' ' LEU . 4.6 mt-10 -74.09 129.55 38.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 73.43 110.308 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 642' ' ' THR . . . . . 0.735 HG21 HD12 ' A' ' 647' ' ' ILE . 7.6 p -137.93 158.86 70.58 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 63.41 110.423 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -18.18 18.92 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.517 1.798 . . . . 75.1 111.016 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -91.41 -5.79 53.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 72.4 110.311 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 125.06 126.63 3.04 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.532 1.145 . . . . 60.32 111.0 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 646' ' ' ARG . . . . . 0.436 ' HB2' ' NH1' ' A' ' 646' ' ' ARG . 3.0 mtp-105 -42.1 151.61 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 0.77 . . . . 71.01 110.306 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 647' ' ' ILE . . . . . 0.735 HD12 HG21 ' A' ' 642' ' ' THR . 10.6 mt -136.27 137.45 48.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 43.52 109.302 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 648' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -135.57 112.63 10.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 71.42 110.285 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 649' ' ' ALA . . . . . 0.459 ' CB ' ' HB2' ' A' ' 654' ' ' ARG . . . -106.34 177.17 4.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.555 1.16 . . . . 74.43 109.282 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 35.6 mttt -110.85 -18.55 13.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 70.05 109.293 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 651' ' ' LYS . . . . . 0.674 ' CA ' HG11 ' A' ' 635' ' ' VAL . 0.0 OUTLIER -137.19 142.73 42.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 74.21 109.288 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 652' ' ' TRP . . . . . 0.712 ' CD2' ' CD2' ' A' ' 577' ' ' HIS . 36.2 m95 -59.61 -17.98 37.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 75.42 107.986 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 4.9 m -62.66 -13.14 28.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 63.45 109.946 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 654' ' ' ARG . . . . . 0.459 ' HB2' ' CB ' ' A' ' 649' ' ' ALA . 16.1 mmt-85 -107.31 -25.02 11.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 62.04 110.271 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 655' ' ' VAL . . . . . 0.751 HG13 ' CD2' ' A' ' 657' ' ' PHE . 2.3 t -41.64 125.66 2.41 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 74.45 109.321 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 656' ' ' PRO . . . . . 0.682 ' HD2' HD13 ' A' ' 640' ' ' LEU . 18.5 Cg_endo -74.95 -50.36 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.516 1.798 . . . . 74.55 111.028 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 657' ' ' PHE . . . . . 0.951 ' CE1' HG22 ' A' ' 659' ' ' VAL . 18.2 p90 -63.01 149.09 45.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 43.44 111.002 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 658' ' ' SER . . . . . 0.401 ' O ' HG11 ' A' ' 549' ' ' VAL . 0.7 OUTLIER -84.1 145.57 28.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 71.41 109.999 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 659' ' ' VAL . . . . . 0.951 HG22 ' CE1' ' A' ' 657' ' ' PHE . 1.8 t -121.76 101.61 42.47 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 72.43 109.27 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 660' ' ' PRO . . . . . 0.426 ' O ' ' N ' ' A' ' 571' ' ' LYS . 18.3 Cg_endo -75.0 149.87 37.3 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.52 1.8 . . . . 64.12 111.015 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 661' ' ' ASP . . . . . 0.423 ' HA ' ' O ' ' A' ' 571' ' ' LYS . 11.2 p-10 -61.28 145.24 52.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 60.45 109.341 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 662' ' ' PHE . . . . . 0.597 ' CE2' HD21 ' A' ' 630' ' ' LEU . 24.7 t80 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 51.14 110.999 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 546' ' ' GLN . . . . . 0.54 ' C ' ' CD1' ' A' ' 547' ' ' PHE . 9.7 mt-30 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.254 -0.276 . . . . 44.14 110.254 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 547' ' ' PHE . . . . . 0.623 ' CD1' ' N ' ' A' ' 547' ' ' PHE . 0.1 OUTLIER -149.18 104.78 3.34 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 75.35 110.982 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 548' ' ' PRO . . . . . 0.438 ' HB2' ' CG ' ' A' ' 550' ' ' GLU . 18.3 Cg_endo -74.95 137.74 22.24 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.445 1.761 . . . . 75.03 111.035 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 549' ' ' VAL . . . . . 0.474 HG12 ' HB2' ' A' ' 657' ' ' PHE . 35.5 m -48.59 -40.09 10.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.088 . . . . 54.44 109.305 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 550' ' ' GLU . . . . . 0.438 ' CG ' ' HB2' ' A' ' 548' ' ' PRO . 1.9 pt-20 -58.06 -34.76 70.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 74.42 110.292 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 8.8 m170 -82.96 -16.1 48.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 71.21 109.602 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 552' ' ' VAL . . . . . 0.856 HG21 ' HB3' ' A' ' 657' ' ' PHE . 70.5 t -95.09 130.96 43.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 74.21 109.283 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 553' ' ' GLN . . . . . 0.411 ' HG3' ' O ' ' A' ' 564' ' ' GLY . 7.8 tt0 -118.71 151.27 38.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 73.21 110.332 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 554' ' ' LEU . . . . . 0.774 HD11 HD23 ' A' ' 569' ' ' LEU . 1.3 mt -93.91 114.61 26.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 51.5 109.343 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 555' ' ' LEU . . . . . 0.999 HD12 ' O ' ' A' ' 639' ' ' LEU . 0.2 OUTLIER -134.16 177.16 7.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 73.22 109.296 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 556' ' ' CYS . . . . . 0.539 ' O ' ' N ' ' A' ' 560' ' ' MET . 5.4 t -104.98 103.0 12.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 114.999 -1.001 . . . . 52.43 110.904 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 557' ' ' ILE . . . . . 0.478 ' C ' ' O ' ' A' ' 556' ' ' CYS . 1.4 pt -34.87 -34.38 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.117 . . . . 71.24 109.31 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 558' ' ' ASN . . . . . 0.503 ' N ' ' O ' ' A' ' 556' ' ' CYS . 3.1 m120 -76.4 -62.58 1.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 75.52 109.312 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 559' ' ' CYS . . . . . 1.079 ' CB ' ' SG ' ' A' ' 615' ' ' CYS . 3.6 m -75.42 -68.97 0.51 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 65.22 108.283 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 560' ' ' MET . . . . . 0.539 ' N ' ' O ' ' A' ' 556' ' ' CYS . 26.7 mtm 77.23 47.18 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 65.14 111.032 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 561' ' ' VAL . . . . . 0.653 ' O ' ' HB3' ' A' ' 562' ' ' ALA . 1.0 OUTLIER -113.33 -0.25 9.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 65.33 109.325 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 562' ' ' ALA . . . . . 0.653 ' HB3' ' O ' ' A' ' 561' ' ' VAL . . . 81.65 102.16 0.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.543 1.152 . . . . 73.34 109.27 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 563' ' ' VAL . . . . . 0.606 HG12 ' CD1' ' A' ' 587' ' ' TYR . 2.2 m -99.88 -4.09 9.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 63.33 109.275 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 564' ' ' GLY . . . . . 0.411 ' O ' ' HG3' ' A' ' 553' ' ' GLN . . . 177.88 -159.08 24.59 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.521 1.138 . . . . 74.23 111.007 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 565' ' ' HIS . . . . . . . . . . . . . 61.9 m80 -126.45 149.18 49.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 0.766 . . . . 74.43 109.587 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 566' ' ' GLY . . . . . 0.473 ' O ' HD11 ' A' ' 569' ' ' LEU . . . -72.85 -18.01 78.69 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.462 1.101 . . . . 72.04 110.973 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 8.9 t -101.54 13.26 35.5 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 0.763 . . . . 70.33 110.04 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -115.03 -9.83 12.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 65.2 109.287 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 569' ' ' LEU . . . . . 0.774 HD23 HD11 ' A' ' 554' ' ' LEU . 0.2 OUTLIER -89.99 165.17 14.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 45.41 109.281 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 570' ' ' ARG . . . . . . . . . . . . . 26.1 mmt180 -142.21 -172.76 3.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 72.33 110.363 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 571' ' ' LYS . . . . . 0.454 ' HE2' ' CE1' ' A' ' 577' ' ' HIS . 17.0 ttmt -129.41 116.05 18.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.553 1.158 . . . . 72.32 109.298 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 572' ' ' VAL . . . . . 1.033 HG23 HG21 ' A' ' 578' ' ' VAL . 2.3 t -77.83 110.07 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 63.54 109.357 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 573' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 38.76 39.43 0.34 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 73.15 110.297 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 41.73 49.2 5.04 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.437 1.086 . . . . 64.41 111.016 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 575' ' ' THR . . . . . 0.42 ' O ' ' CG ' ' A' ' 576' ' ' HIS . 1.2 m -111.71 -49.1 3.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 0.769 . . . . 72.21 110.389 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 576' ' ' HIS . . . . . 0.771 ' O ' HG13 ' A' ' 578' ' ' VAL . 37.3 m80 -157.05 111.75 2.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 73.31 109.556 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 577' ' ' HIS . . . . . 0.835 ' ND1' HG11 ' A' ' 659' ' ' VAL . 10.2 m-70 -39.92 120.62 1.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 72.12 109.601 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 578' ' ' VAL . . . . . 1.033 HG21 HG23 ' A' ' 572' ' ' VAL . 15.1 m -121.97 108.41 21.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 70.2 109.253 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 579' ' ' ASN . . . . . 0.483 ' HA ' ' CB ' ' A' ' 569' ' ' LEU . 5.9 t30 -79.7 108.35 13.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 64.42 109.309 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 580' ' ' VAL . . . . . 0.616 HG22 HD22 ' A' ' 630' ' ' LEU . 3.3 t -82.66 145.31 8.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 73.15 109.275 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 581' ' ' ASN . . . . . 0.481 ' OD1' ' N ' ' A' ' 584' ' ' PHE . 11.3 t-20 170.71 124.66 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 53.34 109.297 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 582' ' ' PRO . . . . . 0.431 ' HD2' ' ND2' ' A' ' 581' ' ' ASN . 18.4 Cg_endo -75.02 -24.55 12.68 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.518 1.799 . . . . 75.12 111.006 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 583' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -85.72 9.08 17.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 63.54 109.326 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 584' ' ' PHE . . . . . 0.797 ' CZ ' ' CZ3' ' A' ' 619' ' ' TRP . 1.4 t80 -84.64 -24.15 29.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.547 1.154 . . . . 74.11 111.025 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 9.1 p -61.0 -28.69 69.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 43.03 110.008 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -87.24 -8.63 56.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 63.41 109.295 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 587' ' ' TYR . . . . . 0.606 ' CD1' HG12 ' A' ' 563' ' ' VAL . 4.2 m-85 -101.86 4.92 40.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 74.03 110.963 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 588' ' ' TYR . . . . . 0.858 ' CD1' HG23 ' A' ' 610' ' ' ILE . 1.3 p90 -169.82 158.48 7.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 73.14 110.988 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 589' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 -129.87 132.03 46.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 74.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 590' ' ' VAL . . . . . 0.608 HG13 ' HA3' ' A' ' 608' ' ' GLY . 8.1 t -72.45 134.74 29.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 75.14 109.292 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 31.2 t . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 71.42 109.96 -179.978 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 604' ' ' TRP . . . . . 0.595 ' CE3' HG11 ' A' ' 572' ' ' VAL . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 107.979 -1.119 . . . . 63.31 107.979 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 605' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.16 153.28 47.29 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 64.53 109.285 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 606' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 161.44 38.8 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.492 1.785 . . . . 64.04 111.036 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 607' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 622' ' ' GLN . . . -127.39 -87.75 0.6 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.517 1.136 . . . . 63.04 110.981 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 608' ' ' GLY . . . . . 0.608 ' HA3' HG13 ' A' ' 590' ' ' VAL . . . -157.52 144.46 10.61 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.994 -0.842 . . . . 74.14 110.994 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 45.8 t -55.41 129.33 16.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 72.55 109.319 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 610' ' ' ILE . . . . . 0.858 HG23 ' CD1' ' A' ' 588' ' ' TYR . 0.8 OUTLIER -95.84 146.93 6.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.508 1.13 . . . . 71.12 109.304 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -146.08 122.86 11.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.095 . . . . 74.41 109.986 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 612' ' ' CYS . . . . . 0.456 ' O ' ' N ' ' A' ' 616' ' ' GLY . 17.8 t -49.57 120.09 3.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.1 . . . . 63.11 108.29 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 11.4 ttt-85 -71.79 -24.73 61.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 75.34 110.309 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 614' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -69.29 -32.03 70.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 75.32 109.304 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 615' ' ' CYS . . . . . 1.079 ' SG ' ' CB ' ' A' ' 559' ' ' CYS . 0.8 OUTLIER -130.35 -74.76 0.54 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 63.25 108.299 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 616' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 149.0 -18.63 1.22 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.566 1.166 . . . . 75.41 111.004 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -42.79 102.38 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 0.777 . . . . 73.55 110.295 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 92.2 t -49.62 112.43 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 52.21 109.31 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 619' ' ' TRP . . . . . 0.797 ' CZ3' ' CZ ' ' A' ' 584' ' ' PHE . 30.3 m0 -69.16 -54.45 14.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 63.41 107.973 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 620' ' ' GLY . . . . . . . . . . . . . . . -179.62 -102.94 0.17 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.518 1.136 . . . . 74.24 110.986 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 621' ' ' LEU . . . . . 0.782 HD22 ' C ' ' A' ' 621' ' ' LEU . 0.0 OUTLIER -163.46 154.06 16.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 0.771 . . . . 60.42 109.315 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 622' ' ' GLN . . . . . 0.674 ' N ' HD22 ' A' ' 621' ' ' LEU . 0.0 OUTLIER -85.58 132.82 34.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 71.13 110.313 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 623' ' ' MET . . . . . 0.753 ' HG2' HD21 ' A' ' 621' ' ' LEU . 3.2 mmt -124.37 149.28 46.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 73.13 110.978 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 624' ' ' ILE . . . . . 0.708 HD12 ' N ' ' A' ' 624' ' ' ILE . 3.4 mp -119.38 132.83 68.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 72.12 109.302 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 625' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -135.71 124.9 24.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 73.54 110.984 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 626' ' ' LYS . . . . . 0.514 ' HA ' ' CE ' ' A' ' 626' ' ' LYS . 0.1 OUTLIER 55.71 19.27 3.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.435 1.084 . . . . 73.0 109.271 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 627' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.1 p 85.17 38.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 72.53 109.975 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 628' ' ' VAL . . . . . 0.888 HG11 ' CZ ' ' A' ' 662' ' ' PHE . 53.2 t -126.68 122.61 61.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 72.1 109.263 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 8.1 mmmm -71.79 96.52 1.65 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 75.25 109.288 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 630' ' ' LEU . . . . . 0.839 ' HG ' HG12 ' A' ' 628' ' ' VAL . 20.7 mt -121.58 111.3 33.2 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 73.51 109.3 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 631' ' ' PRO . . . . . 0.745 ' HB2' HD21 ' A' ' 633' ' ' LEU . 18.4 Cg_endo -74.95 156.38 43.23 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.497 1.788 . . . . 73.41 111.028 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 632' ' ' VAL . . . . . 0.929 ' C ' HD23 ' A' ' 633' ' ' LEU . 84.0 t -113.13 105.27 18.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 74.43 109.322 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 633' ' ' LEU . . . . . 0.929 HD23 ' C ' ' A' ' 632' ' ' VAL . 0.4 OUTLIER -109.6 171.65 7.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 63.1 109.325 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 634' ' ' LYS . . . . . 0.472 ' C ' ' CZ2' ' A' ' 652' ' ' TRP . 0.0 OUTLIER -112.7 -178.17 3.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 73.45 109.274 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 635' ' ' VAL . . . . . 0.993 HG11 ' C ' ' A' ' 651' ' ' LYS . 5.9 p -107.56 5.25 9.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.113 . . . . 34.45 109.239 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 636' ' ' ARG . . . . . 0.466 ' HG3' ' CE ' ' A' ' 634' ' ' LYS . 3.6 ptt180 -111.85 1.65 16.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 62.34 110.294 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 58.9 m -120.32 -4.79 9.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 71.2 109.979 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 638' ' ' MET . . . . . 0.581 ' HE3' ' CE2' ' A' ' 619' ' ' TRP . 30.1 mmt -114.55 148.51 37.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 55.53 111.017 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 639' ' ' LEU . . . . . 0.999 ' O ' HD12 ' A' ' 555' ' ' LEU . 4.1 tp -114.23 129.97 56.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 55.41 109.303 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 640' ' ' LEU . . . . . 0.711 HD13 ' HD2' ' A' ' 656' ' ' PRO . 12.8 mt -99.38 99.95 10.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 72.05 109.295 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 641' ' ' GLU . . . . . 0.691 ' HB2' HD11 ' A' ' 555' ' ' LEU . 5.3 mt-10 -73.74 120.5 19.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.103 . . . . 74.24 110.257 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 642' ' ' THR . . . . . 0.881 HG21 HD12 ' A' ' 647' ' ' ILE . 0.3 OUTLIER -128.56 160.11 64.35 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 54.22 110.424 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 3.29 5.77 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.48 1.779 . . . . 62.1 110.976 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -115.62 -0.76 12.9 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.548 1.155 . . . . 73.35 110.313 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 118.65 129.56 4.02 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.551 1.157 . . . . 55.23 110.955 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 646' ' ' ARG . . . . . 0.556 ' HB3' HD11 ' A' ' 639' ' ' LEU . 0.1 OUTLIER -45.13 142.61 1.88 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 0.766 . . . . 65.32 110.3 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 647' ' ' ILE . . . . . 0.881 HD12 HG21 ' A' ' 642' ' ' THR . 13.3 mt -122.1 136.75 57.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 75.51 109.312 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 648' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -134.07 112.52 11.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 72.23 110.284 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 649' ' ' ALA . . . . . 0.434 ' CB ' ' HB2' ' A' ' 654' ' ' ARG . . . -111.53 179.85 3.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 32.43 109.295 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 650' ' ' LYS . . . . . 0.416 ' C ' ' CG1' ' A' ' 635' ' ' VAL . 30.3 mttt -112.02 -23.96 10.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 71.22 109.288 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 651' ' ' LYS . . . . . 0.993 ' C ' HG11 ' A' ' 635' ' ' VAL . 0.6 OUTLIER -124.85 143.79 50.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 73.53 109.313 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 652' ' ' TRP . . . . . 0.645 ' N ' HG11 ' A' ' 635' ' ' VAL . 72.6 m95 -64.54 -16.05 61.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.167 . . . . 64.13 107.989 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 4.7 m -65.43 -10.86 37.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 65.52 109.967 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 654' ' ' ARG . . . . . 0.434 ' HB2' ' CB ' ' A' ' 649' ' ' ALA . 11.0 mmt180 -103.48 -27.35 12.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 62.55 110.334 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 655' ' ' VAL . . . . . 0.88 HG23 HG21 ' A' ' 635' ' ' VAL . 2.4 t -40.31 123.59 1.73 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.132 . . . . 65.05 109.272 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 656' ' ' PRO . . . . . 0.711 ' HD2' HD13 ' A' ' 640' ' ' LEU . 18.3 Cg_endo -74.98 -48.66 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.479 1.779 . . . . 74.44 111.014 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 657' ' ' PHE . . . . . 1.116 ' CE1' HG22 ' A' ' 659' ' ' VAL . 19.0 p90 -64.15 148.25 50.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 74.04 111.004 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.11 138.27 39.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 72.42 110.012 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 659' ' ' VAL . . . . . 1.116 HG22 ' CE1' ' A' ' 657' ' ' PHE . 2.5 t -118.57 99.77 51.37 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 73.25 109.29 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 660' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 147.32 33.65 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.487 1.782 . . . . 63.31 110.999 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 661' ' ' ASP . . . . . 0.422 ' HA ' ' O ' ' A' ' 571' ' ' LYS . 0.5 OUTLIER -75.15 145.58 42.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 72.02 109.26 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 662' ' ' PHE . . . . . 0.888 ' CZ ' HG11 ' A' ' 628' ' ' VAL . 27.0 t80 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 72.11 110.978 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 546' ' ' GLN . . . . . 0.538 ' O ' ' CG ' ' A' ' 547' ' ' PHE . 1.3 pt20 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.269 -0.271 . . . . 72.23 110.269 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 547' ' ' PHE . . . . . 0.538 ' CG ' ' O ' ' A' ' 546' ' ' GLN . 94.6 m-85 -162.55 94.53 1.21 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 72.12 110.977 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 548' ' ' PRO . . . . . 0.45 ' HB2' ' CG ' ' A' ' 550' ' ' GLU . 18.3 Cg_endo -74.98 134.96 18.5 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.527 1.804 . . . . 71.03 111.022 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 549' ' ' VAL . . . . . 0.551 HG12 ' HB2' ' A' ' 657' ' ' PHE . 31.4 m -47.83 -41.38 8.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 64.12 109.26 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 550' ' ' GLU . . . . . 0.45 ' CG ' ' HB2' ' A' ' 548' ' ' PRO . 2.7 pt-20 -55.95 -35.94 67.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 73.31 110.288 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 14.6 m170 -82.98 -26.0 31.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 73.31 109.604 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 552' ' ' VAL . . . . . 0.614 HG21 ' HB3' ' A' ' 657' ' ' PHE . 55.9 t -87.16 120.63 36.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 72.21 109.29 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 553' ' ' GLN . . . . . 0.545 HE21 HD21 ' A' ' 555' ' ' LEU . 16.9 tt0 -112.26 142.94 44.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 64.53 110.297 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 554' ' ' LEU . . . . . 0.962 HD11 HD23 ' A' ' 569' ' ' LEU . 2.0 mt -83.22 113.95 21.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 74.12 109.301 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 555' ' ' LEU . . . . . 0.822 HD23 ' CA ' ' A' ' 562' ' ' ALA . 0.3 OUTLIER -132.8 179.78 5.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.09 . . . . 72.43 109.307 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 556' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 559' ' ' CYS . 14.0 t -107.94 105.19 14.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.005 -0.998 . . . . 50.55 110.895 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 557' ' ' ILE . . . . . 0.956 ' HA ' HD23 ' A' ' 639' ' ' LEU . 1.2 pt -37.81 -32.91 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.51 1.131 . . . . 41.04 109.289 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 558' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 556' ' ' CYS . 8.7 m-20 -83.33 -48.32 10.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 63.12 109.317 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 559' ' ' CYS . . . . . 1.39 ' SG ' ' CB ' ' A' ' 615' ' ' CYS . 0.5 OUTLIER -123.3 70.05 1.03 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 73.5 108.283 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 560' ' ' MET . . . . . 0.459 ' N ' ' O ' ' A' ' 556' ' ' CYS . 6.5 mtm -63.27 71.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 55.11 111.009 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 561' ' ' VAL . . . . . 0.619 HG13 ' O ' ' A' ' 559' ' ' CYS . 0.9 OUTLIER -112.58 2.89 8.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.122 . . . . 72.44 109.3 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 562' ' ' ALA . . . . . 0.822 ' CA ' HD23 ' A' ' 555' ' ' LEU . . . 75.22 105.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 65.14 109.29 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 563' ' ' VAL . . . . . 0.682 HG12 ' CD1' ' A' ' 587' ' ' TYR . 1.6 m -104.36 -7.98 9.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 74.04 109.317 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -176.18 -161.81 25.94 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.479 1.112 . . . . 54.13 111.014 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 565' ' ' HIS . . . . . . . . . . . . . 27.5 m80 -126.76 146.85 50.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 0.737 . . . . 75.22 109.597 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . -72.96 -9.12 75.31 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.549 1.156 . . . . 63.51 111.026 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 9.4 t -108.98 10.48 26.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 0.765 . . . . 73.04 109.992 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -111.4 -26.74 8.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 70.04 109.292 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 569' ' ' LEU . . . . . 0.962 HD23 HD11 ' A' ' 554' ' ' LEU . 0.1 OUTLIER -78.54 165.7 23.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 63.34 109.344 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 570' ' ' ARG . . . . . 0.422 ' CG ' ' O ' ' A' ' 569' ' ' LEU . 6.0 mtt85 -163.78 151.27 12.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.095 . . . . 75.45 110.242 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 571' ' ' LYS . . . . . 0.565 ' HE2' ' CE1' ' A' ' 577' ' ' HIS . 13.8 ttmt -74.32 158.79 33.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 75.05 109.265 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 572' ' ' VAL . . . . . 0.523 HG23 HG22 ' A' ' 578' ' ' VAL . 2.9 t -98.58 99.73 9.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.535 1.147 . . . . 75.1 109.302 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 573' ' ' GLU . . . . . 0.449 ' CG ' ' O ' ' A' ' 572' ' ' VAL . 10.5 pt-20 45.66 25.55 0.27 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.524 1.14 . . . . 75.02 110.326 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 574' ' ' GLY . . . . . 0.404 ' N ' ' C ' ' A' ' 572' ' ' VAL . . . 75.49 41.08 30.97 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.496 1.123 . . . . 33.2 111.05 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 575' ' ' THR . . . . . 0.413 ' N ' ' O ' ' A' ' 572' ' ' VAL . 21.9 m -113.6 -74.91 0.61 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 0.794 . . . . 72.13 110.437 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 19.0 m80 -126.0 177.59 6.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 74.3 109.579 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 577' ' ' HIS . . . . . 0.771 ' ND1' HG11 ' A' ' 659' ' ' VAL . 19.6 m-70 -100.98 128.11 47.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 75.32 109.631 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 578' ' ' VAL . . . . . 0.623 HG12 HG22 ' A' ' 632' ' ' VAL . 16.0 m -142.29 111.29 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 64.4 109.334 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 579' ' ' ASN . . . . . 0.61 ' ND2' ' CE1' ' A' ' 584' ' ' PHE . 9.8 t30 -81.14 110.82 17.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 74.51 109.316 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 580' ' ' VAL . . . . . 0.88 HG22 HD22 ' A' ' 630' ' ' LEU . 2.7 t -79.21 137.63 21.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.538 1.149 . . . . 53.21 109.296 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 581' ' ' ASN . . . . . 0.442 ' CB ' ' HB2' ' A' ' 584' ' ' PHE . 3.0 m120 177.46 129.39 0.2 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 62.54 109.262 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 582' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -30.74 6.81 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.523 1.802 . . . . 73.44 111.025 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 583' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -82.3 -1.79 50.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 65.24 109.335 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 584' ' ' PHE . . . . . 0.61 ' CE1' ' ND2' ' A' ' 579' ' ' ASN . 3.4 t80 -70.94 -32.76 69.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 63.3 111.022 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 585' ' ' SER . . . . . 0.522 ' HA ' ' CE2' ' A' ' 588' ' ' TYR . 30.7 t -60.37 -23.76 64.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 64.32 110.015 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -87.41 -12.79 45.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.57 1.169 . . . . 75.53 109.32 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 587' ' ' TYR . . . . . 0.682 ' CD1' HG12 ' A' ' 563' ' ' VAL . 5.0 m-85 -97.88 7.65 46.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 71.31 111.004 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 588' ' ' TYR . . . . . 0.838 ' CD1' HG23 ' A' ' 610' ' ' ILE . 1.1 p90 -166.72 158.92 13.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 72.43 110.979 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 589' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -127.55 129.29 47.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 73.3 109.276 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 590' ' ' VAL . . . . . 0.683 HG23 ' HE1' ' A' ' 588' ' ' TYR . 10.0 t -72.43 135.15 28.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 31.35 109.294 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 4.7 m . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 75.3 109.98 179.979 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 604' ' ' TRP . . . . . 0.526 ' CZ3' ' SD ' ' A' ' 623' ' ' MET . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 107.956 -1.127 . . . . 74.23 107.956 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 605' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -94.33 153.59 40.49 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 64.31 109.275 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 606' ' ' PRO . . . . . 0.403 ' O ' ' CD1' ' A' ' 624' ' ' ILE . 18.3 Cg_endo -74.98 -162.53 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.549 1.816 . . . . 74.21 111.016 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 607' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 622' ' ' GLN . . . -148.82 -110.78 0.57 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.494 1.121 . . . . 73.24 111.001 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 608' ' ' GLY . . . . . 0.415 ' O ' ' HA ' ' A' ' 621' ' ' LEU . . . -143.37 158.81 27.39 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.975 -0.85 . . . . 72.3 110.975 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 76.6 t -64.27 127.8 25.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.533 0.784 . . . . 63.42 109.313 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 610' ' ' ILE . . . . . 0.838 HG23 ' CD1' ' A' ' 588' ' ' TYR . 0.8 OUTLIER -97.33 156.81 3.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 74.15 109.274 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -155.89 128.35 7.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 62.33 110.002 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 612' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 616' ' ' GLY . 17.0 t -54.9 119.58 5.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 71.33 108.276 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -74.3 -27.5 60.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 75.52 110.328 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 614' ' ' ASN . . . . . 0.421 ' OD1' HG22 ' A' ' 561' ' ' VAL . 14.0 m120 -61.25 -28.09 68.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 64.25 109.291 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 615' ' ' CYS . . . . . 1.39 ' CB ' ' SG ' ' A' ' 559' ' ' CYS . 1.8 m -138.41 -73.02 0.4 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 71.33 108.293 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 616' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 153.48 -19.58 0.7 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.465 1.103 . . . . 64.41 111.033 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -41.95 105.55 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 0.739 . . . . 62.0 110.34 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 24.9 t -52.02 138.61 9.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 72.45 109.287 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 619' ' ' TRP . . . . . 0.756 ' CE2' ' HE3' ' A' ' 638' ' ' MET . 40.7 m0 -98.85 -46.28 5.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 71.5 108.021 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 620' ' ' GLY . . . . . . . . . . . . . . . 164.45 -101.57 0.19 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.481 1.113 . . . . 44.43 110.951 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 621' ' ' LEU . . . . . 0.702 ' C ' HD12 ' A' ' 621' ' ' LEU . 0.4 OUTLIER -158.25 168.63 26.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 0.772 . . . . 52.21 109.321 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 622' ' ' GLN . . . . . 0.487 ' OE1' ' CE ' ' A' ' 629' ' ' LYS . 0.5 OUTLIER -100.65 136.4 40.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 74.44 110.289 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 623' ' ' MET . . . . . 0.734 ' HG3' HG21 ' A' ' 632' ' ' VAL . 5.7 mmt -121.77 136.48 54.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 70.14 111.008 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 624' ' ' ILE . . . . . 0.403 ' CD1' ' O ' ' A' ' 606' ' ' PRO . 4.7 mp -108.17 144.64 16.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 73.54 109.295 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 625' ' ' TYR . . . . . 0.563 ' C ' ' CD1' ' A' ' 625' ' ' TYR . 0.1 OUTLIER -147.57 106.43 3.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 74.3 110.99 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 626' ' ' LYS . . . . . 0.502 ' O ' ' CB ' ' A' ' 627' ' ' SER . 0.8 OUTLIER 67.47 22.7 9.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 72.4 109.297 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 627' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.2 p 85.15 37.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 54.11 110.027 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 628' ' ' VAL . . . . . 0.758 ' CG1' HD21 ' A' ' 630' ' ' LEU . 53.8 t -121.93 110.63 27.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 63.04 109.295 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 629' ' ' LYS . . . . . 0.487 ' CE ' ' OE1' ' A' ' 622' ' ' GLN . 4.9 mmmm -71.61 100.37 2.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 73.12 109.295 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 630' ' ' LEU . . . . . 0.88 HD22 HG22 ' A' ' 580' ' ' VAL . 41.8 mt -118.11 111.83 38.47 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 70.33 109.304 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 631' ' ' PRO . . . . . 0.737 ' HB2' HD11 ' A' ' 633' ' ' LEU . 18.4 Cg_endo -74.97 134.65 18.13 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.561 1.822 . . . . 73.25 111.013 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 632' ' ' VAL . . . . . 0.944 ' C ' HD13 ' A' ' 633' ' ' LEU . 20.4 t -98.72 106.95 19.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 75.52 109.319 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 633' ' ' LEU . . . . . 0.944 HD13 ' C ' ' A' ' 632' ' ' VAL . 0.0 OUTLIER -110.11 171.74 7.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.125 . . . . 62.02 109.278 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 634' ' ' LYS . . . . . 0.49 ' CD ' ' O ' ' A' ' 619' ' ' TRP . 5.5 mtpt -100.43 -173.77 2.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 65.24 109.293 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 635' ' ' VAL . . . . . 0.912 HG11 ' C ' ' A' ' 651' ' ' LYS . 9.2 p -106.8 -30.75 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 65.33 109.295 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 636' ' ' ARG . . . . . 0.721 ' O ' HD13 ' A' ' 557' ' ' ILE . 7.9 ptt180 -82.77 -0.74 49.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 74.23 110.26 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 16.2 t -111.77 -13.46 13.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 75.43 109.986 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 638' ' ' MET . . . . . 0.756 ' HE3' ' CE2' ' A' ' 619' ' ' TRP . 32.3 mmt -109.01 125.5 52.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 63.3 110.962 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 639' ' ' LEU . . . . . 0.956 HD23 ' HA ' ' A' ' 557' ' ' ILE . 0.0 OUTLIER -88.16 134.38 33.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 73.0 109.287 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 640' ' ' LEU . . . . . 0.554 HD21 ' HE1' ' A' ' 657' ' ' PHE . 0.1 OUTLIER -106.32 96.18 6.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 70.24 109.313 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 641' ' ' GLU . . . . . 0.811 ' HB2' HD11 ' A' ' 555' ' ' LEU . 4.7 mt-10 -73.29 125.19 27.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 73.12 110.322 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 642' ' ' THR . . . . . 0.692 HG21 HD12 ' A' ' 647' ' ' ILE . 0.1 OUTLIER -135.33 160.28 68.61 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 72.31 110.364 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 2.26 6.85 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.506 1.793 . . . . 74.35 110.982 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -108.71 -10.26 15.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 73.43 110.273 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 125.29 140.1 5.34 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.528 1.143 . . . . 74.02 111.017 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 49.5 mtm-85 -46.09 153.16 0.33 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 0.747 . . . . 73.33 110.264 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 647' ' ' ILE . . . . . 0.692 HD12 HG21 ' A' ' 642' ' ' THR . 49.2 mt -139.07 126.08 25.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 60.23 109.337 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 648' ' ' GLN . . . . . 0.732 ' OE1' HD12 ' A' ' 557' ' ' ILE . 0.0 OUTLIER -125.41 95.83 4.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 74.02 110.26 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 649' ' ' ALA . . . . . . . . . . . . . . . -88.2 178.28 6.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 74.44 109.299 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 60.7 mttt -110.76 -24.43 10.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 71.43 109.305 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 651' ' ' LYS . . . . . 0.912 ' C ' HG11 ' A' ' 635' ' ' VAL . 2.0 mppt? -133.67 160.11 38.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 71.44 109.267 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 652' ' ' TRP . . . . . 0.814 ' HA ' HG23 ' A' ' 655' ' ' VAL . 63.8 m95 -74.39 -5.88 44.96 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.981 -1.118 . . . . 75.12 107.981 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 9.0 t -70.56 -16.97 62.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 65.1 110.001 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 654' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 655' ' ' VAL . 6.5 mmm180 -100.53 -15.15 17.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 75.34 110.265 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 655' ' ' VAL . . . . . 0.814 HG23 ' HA ' ' A' ' 652' ' ' TRP . 5.2 t -39.98 116.5 1.2 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 63.43 109.29 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 656' ' ' PRO . . . . . 0.481 ' HD2' HD23 ' A' ' 640' ' ' LEU . 18.3 Cg_endo -75.01 -40.63 0.83 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.49 1.784 . . . . 75.14 110.985 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 657' ' ' PHE . . . . . 1.013 ' CE2' HG22 ' A' ' 659' ' ' VAL . 38.8 p90 -75.07 155.92 36.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 63.04 111.017 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 1.4 m -81.53 141.63 33.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 74.32 110.007 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 659' ' ' VAL . . . . . 1.013 HG22 ' CE2' ' A' ' 657' ' ' PHE . 1.9 t -129.63 95.27 29.99 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 73.4 109.323 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 660' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 147.83 34.34 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.532 1.806 . . . . 63.13 110.995 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 661' ' ' ASP . . . . . 0.439 ' OD2' ' N ' ' A' ' 661' ' ' ASP . 0.9 OUTLIER -73.05 158.92 34.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 43.14 109.294 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 662' ' ' PHE . . . . . 0.478 ' CE2' HD11 ' A' ' 630' ' ' LEU . 4.6 t80 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 75.42 111.019 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 546' ' ' GLN . . . . . 0.513 ' C ' ' CD1' ' A' ' 547' ' ' PHE . 2.3 pt20 . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 110.317 -0.253 . . . . 75.44 110.317 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 547' ' ' PHE . . . . . 0.642 ' CD1' ' N ' ' A' ' 547' ' ' PHE . 0.1 OUTLIER -148.66 97.24 3.74 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 74.15 110.95 -179.923 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 548' ' ' PRO . . . . . 0.52 ' HG2' ' CG ' ' A' ' 551' ' ' HIS . 18.3 Cg_endo -75.01 129.63 12.51 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.543 1.812 . . . . 62.35 110.986 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 549' ' ' VAL . . . . . 0.697 HG12 ' HB2' ' A' ' 657' ' ' PHE . 33.3 m -47.81 -39.91 7.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 73.52 109.269 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 550' ' ' GLU . . . . . 0.46 ' CG ' ' HB2' ' A' ' 548' ' ' PRO . 4.8 pt-20 -56.77 -36.71 70.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 65.42 110.284 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 551' ' ' HIS . . . . . 0.52 ' CG ' ' HG2' ' A' ' 548' ' ' PRO . 43.9 m170 -84.57 -23.18 29.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 73.54 109.643 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 552' ' ' VAL . . . . . 0.58 HG11 ' CD2' ' A' ' 657' ' ' PHE . 84.0 t -83.08 118.86 31.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 70.44 109.307 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 553' ' ' GLN . . . . . 0.807 ' HB3' HD11 ' A' ' 555' ' ' LEU . 9.0 tt0 -110.81 169.99 8.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 73.13 110.347 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 554' ' ' LEU . . . . . 0.706 ' C ' HD12 ' A' ' 555' ' ' LEU . 2.9 mt -110.04 106.19 15.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 62.44 109.329 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 555' ' ' LEU . . . . . 0.865 HD12 ' N ' ' A' ' 555' ' ' LEU . 0.0 OUTLIER -123.32 168.37 12.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 75.51 109.307 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 556' ' ' CYS . . . . . 0.616 ' O ' ' N ' ' A' ' 560' ' ' MET . 4.2 t -99.37 106.89 19.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.001 -0.999 . . . . 75.2 110.938 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 557' ' ' ILE . . . . . 0.804 HD13 ' O ' ' A' ' 636' ' ' ARG . 1.0 OUTLIER -36.32 -32.2 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 63.34 109.335 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 558' ' ' ASN . . . . . 0.498 ' N ' ' O ' ' A' ' 556' ' ' CYS . 3.0 m120 -80.72 -66.3 0.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 73.21 109.248 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 559' ' ' CYS . . . . . 1.078 ' CB ' ' SG ' ' A' ' 615' ' ' CYS . 28.1 m -71.25 -63.52 1.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 73.52 108.264 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 560' ' ' MET . . . . . 0.686 ' SD ' HD23 ' A' ' 639' ' ' LEU . 6.7 mtm 69.19 52.48 0.48 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 64.22 111.004 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 561' ' ' VAL . . . . . 0.702 ' O ' ' HB3' ' A' ' 562' ' ' ALA . 1.4 m -117.61 -7.35 11.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 75.33 109.29 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 562' ' ' ALA . . . . . 0.702 ' HB3' ' O ' ' A' ' 561' ' ' VAL . . . 84.55 107.64 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 75.31 109.325 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 563' ' ' VAL . . . . . 0.49 ' HA ' ' CD2' ' A' ' 587' ' ' TYR . 0.3 OUTLIER -107.11 -4.76 10.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 75.14 109.298 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -173.37 -152.98 9.2 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.529 1.143 . . . . 62.03 111.035 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 565' ' ' HIS . . . . . . . . . . . . . 35.6 m80 -136.81 154.05 50.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.454 0.738 . . . . 65.03 109.593 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 566' ' ' GLY . . . . . 0.549 ' O ' HD11 ' A' ' 569' ' ' LEU . . . -80.81 -11.36 84.0 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.458 1.099 . . . . 42.32 111.008 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 32.7 t -104.98 5.67 32.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 0.77 . . . . 53.1 109.985 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -113.19 -13.98 12.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 70.4 109.277 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 569' ' ' LEU . . . . . 0.858 HD21 ' CZ ' ' A' ' 657' ' ' PHE . 0.2 OUTLIER -79.62 150.15 31.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 70.22 109.3 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 570' ' ' ARG . . . . . 0.699 ' HA ' HG23 ' A' ' 659' ' ' VAL . 75.5 mtt85 -132.51 149.6 52.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 73.1 110.334 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 571' ' ' LYS . . . . . 0.464 ' CD ' ' O ' ' A' ' 659' ' ' VAL . 20.9 ptmt -101.67 153.38 19.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 74.43 109.277 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 572' ' ' VAL . . . . . 0.472 HG12 ' HG2' ' A' ' 573' ' ' GLU . 2.6 t -111.72 104.21 16.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 74.21 109.308 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 573' ' ' GLU . . . . . 0.472 ' HG2' HG12 ' A' ' 572' ' ' VAL . 9.6 pt-20 42.83 36.16 0.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 73.3 110.315 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 44.45 45.74 8.45 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.513 1.133 . . . . 52.44 110.992 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 575' ' ' THR . . . . . 0.507 ' O ' ' CG ' ' A' ' 576' ' ' HIS . 1.3 m -112.73 -35.57 5.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 0.773 . . . . 72.01 110.361 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 576' ' ' HIS . . . . . 0.507 ' CG ' ' O ' ' A' ' 575' ' ' THR . 10.7 m80 -168.13 106.09 0.49 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 75.1 109.598 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 577' ' ' HIS . . . . . 0.706 ' CD2' ' CE3' ' A' ' 652' ' ' TRP . 4.7 m80 -44.7 151.22 0.3 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 72.54 109.575 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 578' ' ' VAL . . . . . 0.95 HG12 HG22 ' A' ' 632' ' ' VAL . 2.6 m -154.86 108.38 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 73.21 109.336 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 579' ' ' ASN . . . . . 0.462 ' HB3' ' CD2' ' A' ' 633' ' ' LEU . 3.4 t30 -83.99 119.06 24.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 71.43 109.312 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 580' ' ' VAL . . . . . 0.754 HG13 ' CD2' ' A' ' 630' ' ' LEU . 2.3 t -91.08 143.02 12.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 72.41 109.307 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 581' ' ' ASN . . . . . 0.451 ' CB ' ' HB2' ' A' ' 584' ' ' PHE . 1.2 m120 179.01 132.66 0.23 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 63.2 109.308 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 582' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -49.09 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.485 1.782 . . . . 75.51 110.975 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 583' ' ' ASN . . . . . . . . . . . . . 12.7 m-20 -60.61 -15.6 29.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 70.34 109.302 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 584' ' ' PHE . . . . . 0.577 ' CE2' ' CZ3' ' A' ' 619' ' ' TRP . 2.0 t80 -61.0 -36.93 80.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 72.11 110.999 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 585' ' ' SER . . . . . 0.533 ' HA ' ' CE2' ' A' ' 588' ' ' TYR . 1.5 t -56.5 -29.58 62.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 55.2 109.967 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -87.18 -16.88 34.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 72.15 109.304 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 587' ' ' TYR . . . . . 0.49 ' CD2' ' HA ' ' A' ' 563' ' ' VAL . 8.5 m-30 -89.48 -10.04 47.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 62.22 110.984 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 588' ' ' TYR . . . . . 0.708 ' HE1' HG23 ' A' ' 590' ' ' VAL . 1.9 p90 -147.1 157.75 43.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 70.22 110.98 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 589' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -123.6 129.3 50.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.162 . . . . 74.31 109.285 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 590' ' ' VAL . . . . . 0.709 HG13 ' HA3' ' A' ' 608' ' ' GLY . 7.4 t -76.31 137.06 23.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 75.5 109.288 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 3.8 t . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 54.54 110.012 179.97 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 604' ' ' TRP . . . . . 0.689 ' HZ3' HG11 ' A' ' 578' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 108.009 -1.108 . . . . 72.2 108.009 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 605' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.85 151.16 47.01 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 70.15 109.287 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 606' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 127.9 11.03 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.547 1.814 . . . . 73.42 111.017 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 607' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 622' ' ' GLN . . . -97.23 -117.88 3.61 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.504 1.128 . . . . 63.11 111.004 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 608' ' ' GLY . . . . . 0.709 ' HA3' HG13 ' A' ' 590' ' ' VAL . . . -133.34 148.08 19.23 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.003 -0.839 . . . . 65.24 111.003 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 24.7 t -54.11 125.68 9.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 0.755 . . . . 63.21 109.274 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 610' ' ' ILE . . . . . 0.672 HG23 ' CD1' ' A' ' 588' ' ' TYR . 0.7 OUTLIER -91.35 144.89 8.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.151 . . . . 61.45 109.273 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.86 131.85 29.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 55.11 109.966 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 612' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 616' ' ' GLY . 35.8 t -61.82 107.9 0.92 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.443 1.09 . . . . 63.35 108.289 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 11.4 ttt180 -66.47 -33.03 74.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 70.53 110.32 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 614' ' ' ASN . . . . . 0.4 HD21 ' HA ' ' A' ' 614' ' ' ASN . 7.3 m120 -56.8 -41.78 78.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 61.13 109.319 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 615' ' ' CYS . . . . . 1.078 ' SG ' ' CB ' ' A' ' 559' ' ' CYS . 0.8 OUTLIER -126.95 -74.24 0.6 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 42.24 108.277 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 616' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 160.29 -24.29 0.28 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.495 1.122 . . . . 44.44 110.984 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -42.13 106.68 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 0.739 . . . . 72.33 110.311 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 618' ' ' VAL . . . . . 0.51 HG13 ' O ' ' A' ' 610' ' ' ILE . 78.2 t -56.9 140.66 14.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 64.22 109.235 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 619' ' ' TRP . . . . . 0.577 ' CZ3' ' CE2' ' A' ' 584' ' ' PHE . 42.2 m0 -98.07 -42.62 7.39 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.961 -1.126 . . . . 71.31 107.961 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 620' ' ' GLY . . . . . . . . . . . . . . . 163.59 -108.15 0.33 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.508 1.13 . . . . 65.33 110.959 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 621' ' ' LEU . . . . . 0.777 HD22 ' C ' ' A' ' 621' ' ' LEU . 0.0 OUTLIER -152.7 154.27 34.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 0.748 . . . . 75.31 109.298 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 622' ' ' GLN . . . . . 0.601 ' N ' HD22 ' A' ' 621' ' ' LEU . 1.6 tt0 -86.66 134.97 33.57 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.143 . . . . 74.53 110.263 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 623' ' ' MET . . . . . 0.539 ' SD ' ' CG ' ' A' ' 604' ' ' TRP . 4.8 mmt -115.24 126.2 54.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 71.55 111.008 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 624' ' ' ILE . . . . . 0.535 HD12 ' N ' ' A' ' 624' ' ' ILE . 1.7 mp -102.36 112.19 34.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 74.43 109.305 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 625' ' ' TYR . . . . . 0.519 ' C ' ' CD1' ' A' ' 625' ' ' TYR . 0.2 OUTLIER -112.8 108.67 17.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 74.54 110.998 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 626' ' ' LYS . . . . . 0.513 ' O ' ' CB ' ' A' ' 627' ' ' SER . 1.4 mmmt 65.37 21.48 11.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 72.43 109.321 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 627' ' ' SER . . . . . 0.513 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.2 p 86.6 40.7 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 73.34 110.026 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 628' ' ' VAL . . . . . 0.783 HG12 ' HG ' ' A' ' 630' ' ' LEU . 55.3 t -124.6 110.3 24.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 73.11 109.307 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 629' ' ' LYS . . . . . 0.409 ' O ' HD23 ' A' ' 630' ' ' LEU . 17.9 mmmt -67.81 99.18 0.79 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 74.41 109.285 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 630' ' ' LEU . . . . . 0.783 ' HG ' HG12 ' A' ' 628' ' ' VAL . 53.6 mt -119.78 111.81 35.67 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 63.2 109.306 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 631' ' ' PRO . . . . . 0.731 ' HB2' HD11 ' A' ' 633' ' ' LEU . 18.3 Cg_endo -75.03 126.54 10.02 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.547 1.814 . . . . 63.31 110.998 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 632' ' ' VAL . . . . . 0.95 HG22 HG12 ' A' ' 578' ' ' VAL . 41.5 t -98.24 101.97 12.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 71.1 109.297 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 633' ' ' LEU . . . . . 0.812 HD13 ' C ' ' A' ' 632' ' ' VAL . 0.0 OUTLIER -103.42 171.28 7.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.098 . . . . 75.22 109.287 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 3.0 mtpt -97.35 -177.01 3.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 74.44 109.266 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 635' ' ' VAL . . . . . 0.497 ' CG1' ' C ' ' A' ' 650' ' ' LYS . 7.5 p -104.11 -10.21 9.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 70.12 109.257 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 636' ' ' ARG . . . . . 0.804 ' O ' HD13 ' A' ' 557' ' ' ILE . 6.1 ptm180 -94.28 -23.58 17.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 75.11 110.303 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 6.8 p -90.96 -9.98 44.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 71.52 109.979 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 638' ' ' MET . . . . . 0.447 ' HA ' ' O ' ' A' ' 555' ' ' LEU . 32.4 mmt -114.53 125.06 53.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.118 . . . . 72.22 111.008 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 639' ' ' LEU . . . . . 0.686 HD23 ' SD ' ' A' ' 560' ' ' MET . 1.6 tp -91.65 124.78 36.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.427 1.079 . . . . 72.2 109.274 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 640' ' ' LEU . . . . . 0.976 HD11 HG22 ' A' ' 655' ' ' VAL . 51.2 mt -88.56 100.92 13.45 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.116 . . . . 71.43 109.319 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 641' ' ' GLU . . . . . 0.493 ' CD ' HD21 ' A' ' 555' ' ' LEU . 6.9 mt-10 -73.41 129.01 37.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 73.4 110.301 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 642' ' ' THR . . . . . 0.716 HG21 HD12 ' A' ' 647' ' ' ILE . 0.7 OUTLIER -141.74 160.7 55.21 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 73.12 110.389 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 2.7 6.34 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.52 1.8 . . . . 54.53 111.007 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -113.35 0.42 14.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 71.24 110.269 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 113.56 124.94 4.19 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.534 1.147 . . . . 72.34 110.999 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 646' ' ' ARG . . . . . 0.523 ' HB3' HD11 ' A' ' 639' ' ' LEU . 1.3 mtt85 -38.68 148.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 0.74 . . . . 71.14 110.274 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 647' ' ' ILE . . . . . 0.716 HD12 HG21 ' A' ' 642' ' ' THR . 14.2 mt -130.19 129.76 65.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 64.03 109.308 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 648' ' ' GLN . . . . . 0.403 ' OE1' ' N ' ' A' ' 649' ' ' ALA . 0.9 OUTLIER -124.65 110.21 14.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 71.11 110.299 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 649' ' ' ALA . . . . . 0.403 ' N ' ' OE1' ' A' ' 648' ' ' GLN . . . -122.91 168.79 11.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 73.21 109.284 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 650' ' ' LYS . . . . . 0.497 ' C ' ' CG1' ' A' ' 635' ' ' VAL . 1.7 mtmt -104.96 -18.27 14.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 73.43 109.289 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -114.87 135.5 54.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 73.0 109.308 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 652' ' ' TRP . . . . . 0.706 ' CE3' ' CD2' ' A' ' 577' ' ' HIS . 75.9 m95 -66.93 -12.17 58.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 65.01 107.998 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 46.5 t -65.3 -11.15 38.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 65.31 110.021 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 654' ' ' ARG . . . . . 0.41 ' O ' ' C ' ' A' ' 655' ' ' VAL . 7.3 mmm180 -99.58 -29.55 12.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 73.4 110.276 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 655' ' ' VAL . . . . . 0.976 HG22 HD11 ' A' ' 640' ' ' LEU . 2.4 t -39.85 119.84 1.41 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 70.23 109.282 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 656' ' ' PRO . . . . . 0.62 ' HD2' HD13 ' A' ' 640' ' ' LEU . 18.3 Cg_endo -75.01 -42.78 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.516 1.798 . . . . 65.35 110.971 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 657' ' ' PHE . . . . . 0.858 ' CZ ' HD21 ' A' ' 569' ' ' LEU . 9.5 p90 -69.26 151.41 46.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 61.21 110.984 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -101.39 149.6 23.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 64.41 110.004 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 659' ' ' VAL . . . . . 0.699 HG23 ' HA ' ' A' ' 570' ' ' ARG . 0.1 OUTLIER -143.52 112.8 5.51 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 74.52 109.318 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 660' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 148.06 34.92 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.436 1.756 . . . . 73.12 111.026 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -42.23 151.52 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 55.35 109.291 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 662' ' ' PHE . . . . . . . . . . . . . 30.4 t80 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 73.23 111.004 -179.972 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 546' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.329 -0.248 . . . . 75.34 110.329 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 547' ' ' PHE . . . . . 0.524 ' CG ' ' HB2' ' A' ' 656' ' ' PRO . 7.0 m-85 -148.81 102.98 3.41 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 74.21 111.011 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 548' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 143.44 29.29 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.489 1.784 . . . . 44.32 111.027 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 549' ' ' VAL . . . . . 0.4 HG12 ' HB2' ' A' ' 657' ' ' PHE . 28.4 m -50.33 -45.31 24.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 50.41 109.277 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -53.18 -30.32 36.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 74.24 110.274 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 9.2 m170 -87.59 -29.1 21.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 71.32 109.59 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 552' ' ' VAL . . . . . 0.765 HG21 ' HB3' ' A' ' 657' ' ' PHE . 54.0 t -86.78 119.76 35.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 71.34 109.266 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -108.37 144.6 35.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 73.24 110.292 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 554' ' ' LEU . . . . . 1.028 HD11 HD23 ' A' ' 569' ' ' LEU . 0.9 OUTLIER -87.36 114.7 24.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 72.13 109.289 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 555' ' ' LEU . . . . . 0.833 HD11 ' HB2' ' A' ' 641' ' ' GLU . 0.2 OUTLIER -133.69 177.93 7.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 71.31 109.305 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 556' ' ' CYS . . . . . 0.511 ' O ' ' N ' ' A' ' 560' ' ' MET . 5.1 t -107.88 100.87 10.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 114.976 -1.011 . . . . 74.11 110.937 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 557' ' ' ILE . . . . . 0.882 HD13 ' O ' ' A' ' 636' ' ' ARG . 1.2 pt -34.75 -34.2 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 74.2 109.25 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 558' ' ' ASN . . . . . 0.501 ' N ' ' O ' ' A' ' 556' ' ' CYS . 2.5 m120 -75.07 -61.44 1.89 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 35.3 109.318 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 559' ' ' CYS . . . . . 1.178 ' CB ' ' SG ' ' A' ' 615' ' ' CYS . 2.8 m -78.36 -69.82 0.53 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 64.51 108.264 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 560' ' ' MET . . . . . 0.513 ' HB2' ' O ' ' A' ' 559' ' ' CYS . 28.1 mtm 79.59 45.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 73.33 111.042 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 561' ' ' VAL . . . . . 0.47 ' O ' HG23 ' A' ' 561' ' ' VAL . 1.0 OUTLIER -115.45 15.02 7.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 74.13 109.232 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 562' ' ' ALA . . . . . 0.577 ' CA ' HD23 ' A' ' 555' ' ' LEU . . . 65.67 111.17 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 71.31 109.311 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 563' ' ' VAL . . . . . 0.813 HG12 ' CD1' ' A' ' 587' ' ' TYR . 2.4 m -110.5 -5.59 11.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.162 . . . . 75.42 109.367 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -179.51 -160.22 24.82 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.472 1.108 . . . . 41.11 110.981 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 565' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -129.61 156.67 43.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 0.735 . . . . 70.43 109.625 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . -78.65 -5.72 88.27 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.498 1.124 . . . . 71.34 111.045 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 3.1 t -108.42 10.9 27.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 0.752 . . . . 73.53 110.033 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 53.9 m-20 -110.72 -33.92 6.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 72.44 109.28 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 569' ' ' LEU . . . . . 1.028 HD23 HD11 ' A' ' 554' ' ' LEU . 0.1 OUTLIER -79.21 158.85 27.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 72.34 109.295 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 570' ' ' ARG . . . . . 0.8 HH22 HD13 ' A' ' 630' ' ' LEU . 8.5 mtm105 -132.39 -172.11 2.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 74.55 110.32 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 571' ' ' LYS . . . . . 0.491 ' CG ' ' HA2' ' A' ' 574' ' ' GLY . 4.9 ttmt -132.61 107.92 8.74 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 74.3 109.333 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 572' ' ' VAL . . . . . 0.457 ' O ' ' C ' ' A' ' 573' ' ' GLU . 2.4 t -79.69 110.97 15.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 71.41 109.287 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 573' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 572' ' ' VAL . 6.6 pt-20 34.64 43.91 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 71.11 110.308 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 574' ' ' GLY . . . . . 0.491 ' HA2' ' CG ' ' A' ' 571' ' ' LYS . . . 34.82 51.14 0.8 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.532 1.145 . . . . 74.44 110.992 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 2.9 m -117.57 -40.16 3.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 0.729 . . . . 64.3 110.418 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 576' ' ' HIS . . . . . 0.507 ' O ' HG13 ' A' ' 578' ' ' VAL . 2.9 m80 -161.79 112.6 1.65 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 74.33 109.612 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 577' ' ' HIS . . . . . 0.744 ' CD2' ' CD2' ' A' ' 652' ' ' TRP . 50.7 m-70 -66.11 118.69 10.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 71.11 109.641 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 578' ' ' VAL . . . . . 1.068 ' CG1' HG22 ' A' ' 632' ' ' VAL . 10.6 m -120.25 112.72 37.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 63.41 109.293 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 579' ' ' ASN . . . . . 0.75 ' ND2' ' CE1' ' A' ' 584' ' ' PHE . 12.4 t30 -77.93 116.88 18.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 75.53 109.262 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 580' ' ' VAL . . . . . 0.927 HG22 HD22 ' A' ' 630' ' ' LEU . 26.2 t -91.86 125.28 44.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 75.13 109.334 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 581' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -173.89 136.27 0.65 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 71.52 109.32 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 582' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -35.93 2.87 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.476 1.777 . . . . 74.22 111.036 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 583' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -74.38 -6.03 45.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 65.23 109.264 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 584' ' ' PHE . . . . . 0.75 ' CE1' ' ND2' ' A' ' 579' ' ' ASN . 3.8 t80 -72.41 -33.9 67.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 64.24 111.026 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 585' ' ' SER . . . . . 0.516 ' HA ' ' CE2' ' A' ' 588' ' ' TYR . 4.6 t -57.3 -26.27 60.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 74.23 110.02 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -87.41 -17.51 32.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 73.24 109.313 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 587' ' ' TYR . . . . . 0.813 ' CD1' HG12 ' A' ' 563' ' ' VAL . 2.3 m-85 -91.08 4.7 51.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 72.52 110.971 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 588' ' ' TYR . . . . . 0.694 ' CD1' HG23 ' A' ' 610' ' ' ILE . 1.0 OUTLIER -164.13 158.89 19.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 52.43 110.997 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 589' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -134.47 128.47 33.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 55.21 109.315 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 590' ' ' VAL . . . . . 0.584 HG13 ' HA3' ' A' ' 608' ' ' GLY . 17.2 t -72.67 133.18 32.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.127 . . . . 74.1 109.284 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 34.9 t . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 70.22 109.986 -179.978 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 604' ' ' TRP . . . . . 0.565 ' CH2' ' HG3' ' A' ' 623' ' ' MET . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 107.982 -1.118 . . . . 74.43 107.982 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 605' ' ' LYS . . . . . . . . . . . . . 9.9 ptmt -112.34 157.58 39.62 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.578 1.174 . . . . 62.4 109.275 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 606' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 171.51 18.18 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.48 1.779 . . . . 63.44 110.972 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 607' ' ' GLY . . . . . 0.599 ' H ' HD23 ' A' ' 621' ' ' LEU . . . -135.59 -108.71 0.96 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.482 1.114 . . . . 71.53 111.007 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 608' ' ' GLY . . . . . 0.584 ' HA3' HG13 ' A' ' 590' ' ' VAL . . . -135.36 148.14 19.47 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 110.994 -0.842 . . . . 43.44 110.994 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 13.5 t -57.04 126.46 14.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 0.755 . . . . 70.02 109.26 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 610' ' ' ILE . . . . . 0.694 HG23 ' CD1' ' A' ' 588' ' ' TYR . 0.6 OUTLIER -95.06 145.33 8.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 53.41 109.318 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.87 121.76 9.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.589 1.181 . . . . 70.24 109.973 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 612' ' ' CYS . . . . . 0.514 ' HB2' ' CE2' ' A' ' 619' ' ' TRP . 33.8 t -48.78 119.99 3.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 74.21 108.3 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 7.4 ttt180 -71.01 -25.35 62.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 71.51 110.278 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 614' ' ' ASN . . . . . 0.422 ' OD1' HG22 ' A' ' 561' ' ' VAL . 9.8 m120 -67.38 -36.03 80.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 74.12 109.328 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 615' ' ' CYS . . . . . 1.178 ' SG ' ' CB ' ' A' ' 559' ' ' CYS . 0.2 OUTLIER -126.43 -74.63 0.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 63.33 108.341 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 616' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 148.07 -17.27 1.37 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.529 1.143 . . . . 73.54 110.983 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 617' ' ' GLU . . . . . 0.423 ' OE1' ' ND2' ' A' ' 558' ' ' ASN . 19.2 tp10 -42.49 102.87 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.52 0.777 . . . . 72.14 110.302 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 618' ' ' VAL . . . . . 0.451 ' O ' ' NZ ' ' A' ' 634' ' ' LYS . 25.6 t -49.17 118.08 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 72.44 109.263 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 619' ' ' TRP . . . . . 0.734 ' CE2' ' HE3' ' A' ' 638' ' ' MET . 36.7 m0 -81.44 -39.2 25.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 73.32 108.013 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 620' ' ' GLY . . . . . . . . . . . . . . . 160.44 -113.98 0.59 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.526 1.141 . . . . 51.31 111.029 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 621' ' ' LEU . . . . . 0.763 HD22 ' C ' ' A' ' 621' ' ' LEU . 0.0 OUTLIER -148.45 160.85 42.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 0.782 . . . . 74.0 109.301 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 622' ' ' GLN . . . . . 0.647 ' N ' HD22 ' A' ' 621' ' ' LEU . 0.8 OUTLIER -89.37 131.92 35.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 75.15 110.293 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 623' ' ' MET . . . . . 0.642 ' C ' HD12 ' A' ' 624' ' ' ILE . 9.9 mmt -106.23 142.34 36.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 51.3 110.974 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 624' ' ' ILE . . . . . 0.779 HD12 ' N ' ' A' ' 624' ' ' ILE . 2.7 mp -118.94 111.98 35.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 75.55 109.311 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 625' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -119.78 112.4 19.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 74.11 110.978 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 626' ' ' LYS . . . . . 0.509 ' O ' ' CB ' ' A' ' 627' ' ' SER . 6.4 mmpt? 65.32 17.31 10.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 62.55 109.32 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 627' ' ' SER . . . . . 0.509 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.1 p 87.3 40.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 63.3 109.984 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 628' ' ' VAL . . . . . 0.755 HG12 ' HG ' ' A' ' 630' ' ' LEU . 79.1 t -122.18 119.51 58.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 70.21 109.309 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 629' ' ' LYS . . . . . 0.458 ' CE ' ' OE1' ' A' ' 622' ' ' GLN . 6.8 mmmm -74.8 100.27 3.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 64.54 109.291 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 630' ' ' LEU . . . . . 0.927 HD22 HG22 ' A' ' 580' ' ' VAL . 27.1 mt -124.1 111.95 28.55 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 62.12 109.322 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 631' ' ' PRO . . . . . 0.576 ' HB2' HD11 ' A' ' 633' ' ' LEU . 18.4 Cg_endo -74.94 138.91 23.82 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.508 1.794 . . . . 72.15 111.009 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 632' ' ' VAL . . . . . 1.068 HG22 ' CG1' ' A' ' 578' ' ' VAL . 23.0 t -106.46 113.75 43.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 72.42 109.299 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 633' ' ' LEU . . . . . 1.0 HD13 ' C ' ' A' ' 632' ' ' VAL . 0.0 OUTLIER -113.96 171.64 7.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 73.21 109.267 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 634' ' ' LYS . . . . . 0.451 ' NZ ' ' O ' ' A' ' 618' ' ' VAL . 11.0 mtmm -102.53 -174.13 2.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 61.22 109.292 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 635' ' ' VAL . . . . . 0.983 HG11 ' C ' ' A' ' 651' ' ' LYS . 14.9 p -107.0 -20.34 6.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 75.01 109.252 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 636' ' ' ARG . . . . . 0.882 ' O ' HD13 ' A' ' 557' ' ' ILE . 6.9 ptp180 -82.31 -23.09 35.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 73.1 110.275 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 637' ' ' SER . . . . . 0.412 ' OG ' ' NZ ' ' A' ' 634' ' ' LYS . 3.6 m -96.05 -9.01 31.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 71.12 109.985 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 638' ' ' MET . . . . . 0.734 ' HE3' ' CE2' ' A' ' 619' ' ' TRP . 32.6 mmt -109.43 137.46 47.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 63.54 110.97 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 639' ' ' LEU . . . . . 0.887 HD21 ' HD2' ' A' ' 646' ' ' ARG . 11.6 tp -101.27 141.26 34.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 74.15 109.328 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 640' ' ' LEU . . . . . 0.411 HD13 ' C ' ' A' ' 639' ' ' LEU . 0.6 OUTLIER -109.95 90.99 3.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 72.21 109.263 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 641' ' ' GLU . . . . . 0.833 ' HB2' HD11 ' A' ' 555' ' ' LEU . 7.6 mt-10 -74.92 123.74 25.64 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.475 1.11 . . . . 53.12 110.301 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 642' ' ' THR . . . . . 0.545 HG21 HD12 ' A' ' 647' ' ' ILE . 0.2 OUTLIER -131.82 160.13 68.96 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 73.4 110.419 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 2.82 6.19 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.478 1.778 . . . . 73.12 110.983 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -113.9 -4.93 13.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 62.43 110.314 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 127.6 142.95 5.62 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.483 1.114 . . . . 25.02 110.962 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 646' ' ' ARG . . . . . 0.887 ' HD2' HD21 ' A' ' 639' ' ' LEU . 57.3 mtm-85 -57.77 149.74 21.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 0.729 . . . . 74.31 110.333 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 647' ' ' ILE . . . . . 0.545 HD12 HG21 ' A' ' 642' ' ' THR . 48.9 mt -136.83 127.1 39.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 72.41 109.295 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 648' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -128.28 112.31 14.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 75.1 110.329 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 649' ' ' ALA . . . . . 0.444 ' CB ' ' HB2' ' A' ' 654' ' ' ARG . . . -112.85 154.22 26.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 73.42 109.304 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 7.9 mttm -90.04 -8.03 52.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 63.24 109.321 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 651' ' ' LYS . . . . . 0.983 ' C ' HG11 ' A' ' 635' ' ' VAL . 0.0 OUTLIER -138.74 153.69 48.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 74.14 109.32 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 652' ' ' TRP . . . . . 0.792 ' HA ' HG23 ' A' ' 655' ' ' VAL . 59.7 m95 -75.77 -9.86 58.95 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.96 -1.126 . . . . 74.51 107.96 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 7.8 t -65.27 -11.06 37.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 74.01 109.996 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 654' ' ' ARG . . . . . 0.444 ' HB2' ' CB ' ' A' ' 649' ' ' ALA . 7.3 mmt85 -105.64 -12.4 15.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 72.53 110.317 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 655' ' ' VAL . . . . . 0.792 HG23 ' HA ' ' A' ' 652' ' ' TRP . 6.2 t -40.33 111.13 0.73 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 73.13 109.272 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 656' ' ' PRO . . . . . 0.524 ' HB2' ' CG ' ' A' ' 547' ' ' PHE . 18.3 Cg_endo -75.03 -29.75 7.85 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.489 1.784 . . . . 70.11 110.955 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 657' ' ' PHE . . . . . 0.765 ' HB3' HG21 ' A' ' 552' ' ' VAL . 54.4 p90 -84.47 164.84 18.58 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.496 1.123 . . . . 65.14 110.963 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.69 150.17 23.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 64.11 109.987 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 659' ' ' VAL . . . . . 0.663 HG22 ' CE2' ' A' ' 657' ' ' PHE . 1.8 t -141.73 100.89 6.02 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 75.45 109.341 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 660' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 166.79 28.4 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.528 1.804 . . . . 61.4 110.975 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 661' ' ' ASP . . . . . 0.405 ' HA ' ' O ' ' A' ' 571' ' ' LYS . 3.0 p-10 -89.89 151.42 21.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 62.33 109.3 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 662' ' ' PHE . . . . . 0.697 ' CD1' ' CZ ' ' A' ' 570' ' ' ARG . 1.9 t80 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 75.51 110.995 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 546' ' ' GLN . . . . . 0.535 ' C ' ' CD1' ' A' ' 547' ' ' PHE . 23.2 mt-30 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.314 -0.254 . . . . 44.35 110.314 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 547' ' ' PHE . . . . . 0.535 ' CD1' ' C ' ' A' ' 546' ' ' GLN . 0.5 OUTLIER -153.79 102.78 2.5 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 63.11 111.002 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 548' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 144.8 30.54 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.553 1.818 . . . . 62.43 110.979 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 549' ' ' VAL . . . . . 0.483 HG23 ' CB ' ' A' ' 567' ' ' SER . 28.9 m -51.17 -44.08 28.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 72.12 109.288 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -53.43 -29.56 35.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 72.03 110.316 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 8.6 m170 -89.13 -22.93 22.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 71.32 109.598 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 552' ' ' VAL . . . . . 0.803 HG21 ' HB3' ' A' ' 657' ' ' PHE . 42.8 t -91.86 126.5 44.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 62.32 109.253 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -112.28 148.67 33.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 73.31 110.303 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 554' ' ' LEU . . . . . 1.044 HD11 HD23 ' A' ' 569' ' ' LEU . 1.3 mt -90.91 111.19 22.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 74.1 109.309 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 555' ' ' LEU . . . . . 0.817 HD11 ' HB2' ' A' ' 641' ' ' GLU . 0.2 OUTLIER -133.28 177.21 7.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 74.12 109.291 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 556' ' ' CYS . . . . . 0.538 ' O ' ' N ' ' A' ' 560' ' ' MET . 5.4 t -102.35 101.42 11.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.009 -0.996 . . . . 70.44 110.915 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 557' ' ' ILE . . . . . 0.805 HD13 ' O ' ' A' ' 636' ' ' ARG . 1.4 pt -33.08 -36.5 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.113 . . . . 71.33 109.276 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 558' ' ' ASN . . . . . 0.516 ' N ' ' O ' ' A' ' 556' ' ' CYS . 2.7 m120 -73.95 -61.5 1.83 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 71.11 109.276 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 559' ' ' CYS . . . . . 1.129 ' CB ' ' SG ' ' A' ' 615' ' ' CYS . 3.9 m -77.75 -69.89 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 52.22 108.32 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 560' ' ' MET . . . . . 0.538 ' N ' ' O ' ' A' ' 556' ' ' CYS . 24.8 mtm 78.55 47.07 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 74.2 111.014 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 561' ' ' VAL . . . . . 0.686 ' O ' ' HB3' ' A' ' 562' ' ' ALA . 1.1 m -108.07 -5.27 10.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 62.2 109.303 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 562' ' ' ALA . . . . . 0.686 ' HB3' ' O ' ' A' ' 561' ' ' VAL . . . 85.27 100.52 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 61.33 109.278 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 563' ' ' VAL . . . . . 0.84 HG12 ' CD1' ' A' ' 587' ' ' TYR . 2.2 m -98.19 -7.11 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 64.13 109.309 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -179.87 -161.05 26.42 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 72.4 111.011 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 565' ' ' HIS . . . . . . . . . . . . . 48.3 m80 -123.77 147.08 47.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 0.79 . . . . 74.31 109.552 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . -74.13 -2.8 63.18 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.543 1.152 . . . . 64.21 111.01 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 567' ' ' SER . . . . . 0.483 ' CB ' HG23 ' A' ' 549' ' ' VAL . 12.7 p -114.95 11.93 16.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 0.775 . . . . 74.1 109.968 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -112.06 -16.44 13.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 70.24 109.305 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 569' ' ' LEU . . . . . 1.044 HD23 HD11 ' A' ' 554' ' ' LEU . 0.1 OUTLIER -91.14 164.65 13.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 61.34 109.305 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 570' ' ' ARG . . . . . 0.697 HH22 HD13 ' A' ' 630' ' ' LEU . 0.2 OUTLIER -146.75 -176.77 5.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 70.4 110.27 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 571' ' ' LYS . . . . . 0.543 ' HE2' ' CE1' ' A' ' 577' ' ' HIS . 23.2 ttmt -111.74 159.26 18.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 73.21 109.307 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 572' ' ' VAL . . . . . 0.564 ' CG2' ' NH1' ' A' ' 570' ' ' ARG . 2.2 t -124.18 105.37 15.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 61.45 109.288 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 573' ' ' GLU . . . . . 0.438 ' HG2' HG12 ' A' ' 572' ' ' VAL . 9.2 pt-20 43.57 36.34 1.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 74.45 110.295 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 574' ' ' GLY . . . . . 0.436 ' HA2' ' CD ' ' A' ' 571' ' ' LYS . . . 43.83 46.94 7.68 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.427 1.079 . . . . 74.4 110.982 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 2.0 m -114.54 -50.33 2.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 0.768 . . . . 75.3 110.444 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 5.1 m80 -157.52 117.18 3.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.138 . . . . 73.33 109.649 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 577' ' ' HIS . . . . . 0.589 ' O ' HG13 ' A' ' 578' ' ' VAL . 35.9 m-70 -49.64 157.7 0.52 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 71.31 109.601 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 578' ' ' VAL . . . . . 0.819 ' CG1' HG22 ' A' ' 632' ' ' VAL . 0.2 OUTLIER -158.34 129.18 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 64.11 109.262 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 579' ' ' ASN . . . . . 0.719 ' ND2' ' CE1' ' A' ' 584' ' ' PHE . 13.9 t30 -98.78 113.16 25.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 70.31 109.29 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 580' ' ' VAL . . . . . 0.567 HG13 HD23 ' A' ' 630' ' ' LEU . 2.7 t -87.22 131.92 33.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 72.14 109.248 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 581' ' ' ASN . . . . . 0.425 ' CB ' ' HB2' ' A' ' 584' ' ' PHE . 4.4 m120 -179.78 131.58 0.26 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 54.21 109.314 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 582' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -33.93 4.28 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.482 1.78 . . . . 54.21 111.039 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 583' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -78.46 -1.63 34.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 75.33 109.258 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 584' ' ' PHE . . . . . 0.719 ' CE1' ' ND2' ' A' ' 579' ' ' ASN . 3.3 t80 -73.78 -30.96 63.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 52.12 111.007 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 585' ' ' SER . . . . . 0.53 ' HA ' ' CE2' ' A' ' 588' ' ' TYR . 7.3 t -62.41 -21.99 65.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 70.1 109.939 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -87.11 -12.63 46.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 74.51 109.266 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 587' ' ' TYR . . . . . 0.84 ' CD1' HG12 ' A' ' 563' ' ' VAL . 6.1 m-85 -97.53 4.12 50.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 75.41 110.962 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 588' ' ' TYR . . . . . 0.773 ' CD1' HG23 ' A' ' 610' ' ' ILE . 1.9 p90 -163.61 156.78 18.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 72.04 111.037 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 589' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -126.47 126.91 44.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.081 . . . . 64.33 109.305 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 590' ' ' VAL . . . . . 0.681 HG13 ' HA3' ' A' ' 608' ' ' GLY . 10.5 t -72.66 136.44 25.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 72.13 109.295 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 7.2 t . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 74.43 110.016 -179.981 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 604' ' ' TRP . . . . . 0.436 ' CE3' ' CB ' ' A' ' 623' ' ' MET . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 108.01 -1.107 . . . . 62.43 108.01 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 605' ' ' LYS . . . . . . . . . . . . . 7.4 ptpt -119.69 163.25 28.52 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 74.13 109.322 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 606' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 143.91 29.62 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.479 1.778 . . . . 74.12 110.964 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 607' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 622' ' ' GLN . . . -117.48 -83.98 0.99 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.474 1.109 . . . . 72.33 111.023 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 608' ' ' GLY . . . . . 0.681 ' HA3' HG13 ' A' ' 590' ' ' VAL . . . -163.35 150.11 18.45 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.011 -0.836 . . . . 61.14 111.011 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 609' ' ' VAL . . . . . 0.407 HG23 ' H ' ' A' ' 609' ' ' VAL . 10.7 t -58.18 133.44 23.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 0.785 . . . . 63.02 109.297 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 610' ' ' ILE . . . . . 0.773 HG23 ' CD1' ' A' ' 588' ' ' TYR . 0.6 OUTLIER -103.18 149.64 7.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 74.42 109.26 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 611' ' ' SER . . . . . 0.401 ' O ' ' HA ' ' A' ' 588' ' ' TYR . 1.1 t -149.3 146.32 27.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 71.34 109.989 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 612' ' ' CYS . . . . . 0.458 ' O ' ' N ' ' A' ' 616' ' ' GLY . 20.1 t -66.41 119.43 11.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 54.45 108.279 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 10.7 ttt-85 -72.92 -24.29 60.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 74.42 110.317 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 614' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -70.08 -32.1 70.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 63.21 109.294 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 615' ' ' CYS . . . . . 1.129 ' SG ' ' CB ' ' A' ' 559' ' ' CYS . 1.7 m -129.56 -74.04 0.56 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 74.11 108.328 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 616' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 152.42 -20.93 0.83 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.493 1.121 . . . . 43.12 111.039 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -42.77 112.04 0.32 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 0.76 . . . . 64.33 110.286 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 3.3 t -49.42 141.87 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 74.53 109.314 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 619' ' ' TRP . . . . . 0.767 ' CE2' ' HE3' ' A' ' 638' ' ' MET . 29.6 m0 -106.47 -31.01 8.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 75.41 108.028 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 620' ' ' GLY . . . . . . . . . . . . . . . 150.61 -118.93 0.96 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.484 1.115 . . . . 41.12 111.015 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 621' ' ' LEU . . . . . 0.912 HD21 ' SD ' ' A' ' 623' ' ' MET . 0.0 OUTLIER -146.27 162.34 38.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 0.738 . . . . 73.22 109.294 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 622' ' ' GLN . . . . . 0.731 ' N ' HD22 ' A' ' 621' ' ' LEU . 0.4 OUTLIER -96.0 134.47 38.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 71.42 110.307 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 623' ' ' MET . . . . . 0.912 ' SD ' HD21 ' A' ' 621' ' ' LEU . 4.6 mmt -115.86 150.3 37.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 73.2 111.024 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 624' ' ' ILE . . . . . 0.766 HD12 ' N ' ' A' ' 624' ' ' ILE . 2.4 mp -119.25 119.01 59.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 72.21 109.325 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 625' ' ' TYR . . . . . 0.527 ' C ' ' CD1' ' A' ' 625' ' ' TYR . 0.2 OUTLIER -123.63 111.47 16.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 74.24 110.998 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 626' ' ' LYS . . . . . 0.487 ' O ' ' CB ' ' A' ' 627' ' ' SER . 0.7 OUTLIER 61.8 21.18 12.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 75.14 109.294 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 627' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.2 p 85.37 41.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 74.34 109.974 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 628' ' ' VAL . . . . . 0.836 HG12 ' HG ' ' A' ' 630' ' ' LEU . 54.0 t -127.9 107.9 17.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 72.41 109.293 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 3.7 mmmm -66.45 99.28 0.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 73.42 109.283 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 630' ' ' LEU . . . . . 0.836 ' HG ' HG12 ' A' ' 628' ' ' VAL . 4.9 mt -118.59 112.76 36.9 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 75.14 109.324 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 631' ' ' PRO . . . . . 0.597 ' HB2' HD11 ' A' ' 633' ' ' LEU . 18.3 Cg_endo -74.98 146.99 33.41 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.463 1.77 . . . . 72.31 111.008 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 632' ' ' VAL . . . . . 0.985 ' C ' HD13 ' A' ' 633' ' ' LEU . 30.0 t -111.93 111.95 38.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 54.24 109.302 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 633' ' ' LEU . . . . . 0.985 HD13 ' C ' ' A' ' 632' ' ' VAL . 0.0 OUTLIER -112.34 171.59 7.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 65.11 109.299 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 634' ' ' LYS . . . . . 0.475 ' CE ' ' CG ' ' A' ' 636' ' ' ARG . 0.0 OUTLIER -114.34 179.29 3.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 72.01 109.302 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 635' ' ' VAL . . . . . 0.498 ' CG1' ' O ' ' A' ' 650' ' ' LYS . 10.7 p -93.6 -42.57 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 72.52 109.297 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 636' ' ' ARG . . . . . 0.805 ' O ' HD13 ' A' ' 557' ' ' ILE . 0.2 OUTLIER -58.83 -15.51 12.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 62.23 110.304 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 27.2 t -106.44 -15.28 14.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 73.04 109.975 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 638' ' ' MET . . . . . 0.767 ' HE3' ' CE2' ' A' ' 619' ' ' TRP . 32.7 mmt -109.75 132.75 53.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 71.25 111.023 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 639' ' ' LEU . . . . . 0.785 HD12 ' HA ' ' A' ' 557' ' ' ILE . 1.2 tt -98.68 150.45 21.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 72.33 109.266 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 640' ' ' LEU . . . . . 0.551 HD12 ' CG1' ' A' ' 552' ' ' VAL . 1.7 mm? -113.08 93.42 4.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 75.24 109.305 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 641' ' ' GLU . . . . . 0.817 ' HB2' HD11 ' A' ' 555' ' ' LEU . 7.9 mt-10 -73.98 119.58 18.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 64.25 110.301 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 642' ' ' THR . . . . . 0.526 HG21 HD12 ' A' ' 647' ' ' ILE . 0.1 OUTLIER -127.34 159.91 62.89 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 73.42 110.411 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 1.83 7.32 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.502 1.791 . . . . 75.44 110.996 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -108.91 -5.59 16.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 40.33 110.304 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 128.45 145.06 5.94 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.476 1.11 . . . . 45.54 111.0 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 47.4 mtm-85 -58.44 145.62 37.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 0.766 . . . . 71.41 110.306 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 647' ' ' ILE . . . . . 0.526 HD12 HG21 ' A' ' 642' ' ' THR . 53.1 mt -136.26 137.34 48.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 52.31 109.264 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 648' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -131.96 110.47 10.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 73.52 110.282 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 649' ' ' ALA . . . . . . . . . . . . . . . -106.33 165.57 11.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 71.11 109.304 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 650' ' ' LYS . . . . . 0.498 ' O ' ' CG1' ' A' ' 635' ' ' VAL . 0.0 OUTLIER -104.59 -38.32 6.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 64.13 109.299 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 651' ' ' LYS . . . . . 0.41 ' N ' ' HD3' ' A' ' 651' ' ' LYS . 0.0 OUTLIER -111.49 145.41 39.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 74.12 109.301 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 652' ' ' TRP . . . . . 0.497 ' CG ' ' CD2' ' A' ' 577' ' ' HIS . 67.2 m95 -69.03 -10.26 56.67 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.989 -1.115 . . . . 74.03 107.989 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 2.5 t -71.46 -18.19 62.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 64.33 110.005 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 654' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 655' ' ' VAL . 3.1 mmm180 -100.61 -21.38 15.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 62.13 110.29 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 655' ' ' VAL . . . . . 0.803 HG13 ' CD1' ' A' ' 657' ' ' PHE . 2.2 t -39.86 126.88 1.57 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 64.13 109.326 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 656' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -50.3 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.468 1.773 . . . . 75.55 111.005 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 657' ' ' PHE . . . . . 0.816 ' CE2' HG22 ' A' ' 659' ' ' VAL . 44.9 p90 -65.47 159.46 24.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 72.25 111.004 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 7.1 m -90.31 150.06 22.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 70.01 109.997 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 659' ' ' VAL . . . . . 0.891 HG13 HD13 ' A' ' 569' ' ' LEU . 2.1 t -134.23 95.3 16.77 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 72.3 109.316 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 660' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 148.43 35.09 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.484 1.781 . . . . 64.05 111.01 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 661' ' ' ASP . . . . . 0.422 ' HA ' ' O ' ' A' ' 571' ' ' LYS . 17.3 p-10 -63.8 160.01 18.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 71.12 109.286 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 662' ' ' PHE . . . . . . . . . . . . . 41.6 t80 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 75.44 110.992 -179.943 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 546' ' ' GLN . . . . . 0.548 ' C ' ' CD1' ' A' ' 547' ' ' PHE . 11.8 mt-30 . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.294 -0.262 . . . . 70.21 110.294 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 547' ' ' PHE . . . . . 0.624 ' CD1' ' N ' ' A' ' 547' ' ' PHE . 0.2 OUTLIER -148.27 100.55 3.6 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.127 . . . . 63.34 111.046 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 548' ' ' PRO . . . . . 0.425 ' HB2' ' CG ' ' A' ' 550' ' ' GLU . 18.3 Cg_endo -74.97 139.31 24.21 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.513 1.796 . . . . 63.1 111.041 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 549' ' ' VAL . . . . . 0.584 HG12 ' HB2' ' A' ' 657' ' ' PHE . 27.9 m -49.24 -41.41 14.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 50.42 109.26 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 550' ' ' GLU . . . . . 0.425 ' CG ' ' HB2' ' A' ' 548' ' ' PRO . 4.3 pt-20 -56.45 -33.85 66.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 72.22 110.29 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -85.35 -17.08 37.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 74.14 109.59 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 552' ' ' VAL . . . . . 0.677 HG11 ' CD2' ' A' ' 657' ' ' PHE . 42.4 t -95.18 122.16 46.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 60.22 109.284 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 553' ' ' GLN . . . . . 0.434 ' O ' HD12 ' A' ' 555' ' ' LEU . 12.5 tt0 -109.1 150.69 27.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 73.44 110.307 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 554' ' ' LEU . . . . . 1.042 HD11 HD23 ' A' ' 569' ' ' LEU . 1.0 OUTLIER -91.4 113.31 25.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 74.15 109.334 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 555' ' ' LEU . . . . . 0.64 HD11 ' HB2' ' A' ' 641' ' ' GLU . 0.4 OUTLIER -134.46 -178.51 5.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 71.44 109.302 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 556' ' ' CYS . . . . . 0.597 ' O ' ' N ' ' A' ' 560' ' ' MET . 4.3 t -108.06 108.07 19.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.995 -1.002 . . . . 74.1 110.915 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 557' ' ' ILE . . . . . 0.877 HD13 ' O ' ' A' ' 636' ' ' ARG . 1.1 pt -36.51 -32.36 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 74.35 109.283 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 558' ' ' ASN . . . . . 0.492 ' N ' ' O ' ' A' ' 556' ' ' CYS . 8.1 m-20 -83.85 -65.38 1.02 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.565 1.165 . . . . 53.32 109.284 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 559' ' ' CYS . . . . . 1.213 ' CB ' ' SG ' ' A' ' 615' ' ' CYS . 3.3 m -65.38 -64.48 0.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 51.35 108.344 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 560' ' ' MET . . . . . 0.597 ' N ' ' O ' ' A' ' 556' ' ' CYS . 10.1 mtm 67.44 42.97 2.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.106 . . . . 75.52 111.016 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 561' ' ' VAL . . . . . 0.684 ' O ' ' HB3' ' A' ' 562' ' ' ALA . 1.0 OUTLIER -111.22 -2.0 10.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 73.33 109.276 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 562' ' ' ALA . . . . . 0.684 ' HB3' ' O ' ' A' ' 561' ' ' VAL . . . 82.66 108.09 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 74.01 109.287 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 563' ' ' VAL . . . . . 0.674 HG12 ' CD1' ' A' ' 587' ' ' TYR . 1.1 m -106.16 -7.38 10.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 73.35 109.269 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -179.04 -159.66 23.61 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.52 1.137 . . . . 24.24 111.043 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 565' ' ' HIS . . . . . . . . . . . . . 28.1 m80 -126.14 147.72 49.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 0.771 . . . . 74.24 109.592 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 566' ' ' GLY . . . . . 0.512 ' O ' HD11 ' A' ' 569' ' ' LEU . . . -74.95 -17.03 80.25 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.501 1.126 . . . . 71.32 111.008 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 567' ' ' SER . . . . . 0.416 ' OG ' HG23 ' A' ' 549' ' ' VAL . 8.8 t -101.85 9.61 40.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 0.746 . . . . 73.31 110.0 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -111.69 -17.74 12.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 71.05 109.289 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 569' ' ' LEU . . . . . 1.042 HD23 HD11 ' A' ' 554' ' ' LEU . 0.2 OUTLIER -85.55 162.72 18.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 54.31 109.257 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 570' ' ' ARG . . . . . 0.447 ' CB ' ' O ' ' A' ' 660' ' ' PRO . 0.0 OUTLIER -155.93 149.13 24.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 74.5 110.314 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 571' ' ' LYS . . . . . 0.483 ' HE2' ' CE1' ' A' ' 577' ' ' HIS . 17.8 ttmt -74.0 158.66 33.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 64.24 109.272 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 572' ' ' VAL . . . . . 0.516 HG12 ' HG2' ' A' ' 573' ' ' GLU . 2.2 t -119.3 107.98 22.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 74.33 109.299 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 573' ' ' GLU . . . . . 0.516 ' HG2' HG12 ' A' ' 572' ' ' VAL . 11.4 pt-20 43.89 36.02 1.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 75.35 110.296 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 47.07 48.57 19.43 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.554 1.159 . . . . 52.23 111.032 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 2.0 m -116.21 -44.76 2.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 0.772 . . . . 65.04 110.376 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 576' ' ' HIS . . . . . 0.466 ' O ' HG13 ' A' ' 578' ' ' VAL . 6.0 m80 -164.14 140.7 6.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 70.23 109.591 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 577' ' ' HIS . . . . . 0.694 ' CG ' ' CE3' ' A' ' 652' ' ' TRP . 40.6 m-70 -66.4 129.69 40.68 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.491 1.119 . . . . 64.43 109.629 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 578' ' ' VAL . . . . . 0.502 ' CG2' HG23 ' A' ' 572' ' ' VAL . 4.4 m -134.76 125.14 45.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 71.35 109.351 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 579' ' ' ASN . . . . . 0.5 ' HB3' HD23 ' A' ' 633' ' ' LEU . 9.8 t30 -94.21 118.61 31.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 62.21 109.304 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 580' ' ' VAL . . . . . 0.841 HG22 HD22 ' A' ' 630' ' ' LEU . 3.7 t -91.3 138.23 20.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 71.01 109.311 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 581' ' ' ASN . . . . . 0.452 ' OD1' ' N ' ' A' ' 584' ' ' PHE . 23.5 t-20 173.14 130.89 0.1 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 63.4 109.303 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 582' ' ' PRO . . . . . 0.424 ' HD2' ' ND2' ' A' ' 581' ' ' ASN . 18.2 Cg_endo -75.0 -25.93 11.4 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.532 1.806 . . . . 72.13 110.992 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 583' ' ' ASN . . . . . 0.529 ' N ' ' ND2' ' A' ' 583' ' ' ASN . 0.2 OUTLIER -80.14 -0.6 36.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 65.3 109.291 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 584' ' ' PHE . . . . . 0.491 ' O ' ' CD2' ' A' ' 588' ' ' TYR . 2.2 t80 -78.1 -28.74 48.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 62.32 111.004 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 11.3 p -60.08 -27.41 66.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.09 . . . . 64.1 109.946 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -87.22 -11.64 49.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 60.45 109.28 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 587' ' ' TYR . . . . . 0.674 ' CD1' HG12 ' A' ' 563' ' ' VAL . 2.8 m-85 -97.99 5.14 49.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 74.44 111.015 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 588' ' ' TYR . . . . . 0.866 ' CD1' HG23 ' A' ' 610' ' ' ILE . 1.0 OUTLIER -168.14 158.9 10.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 73.51 111.029 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 589' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -135.57 121.85 20.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.459 1.099 . . . . 74.33 109.31 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 590' ' ' VAL . . . . . 0.71 HG23 ' HE1' ' A' ' 588' ' ' TYR . 67.1 t -72.45 149.65 8.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 74.24 109.328 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 4.2 t . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 75.25 109.993 -179.963 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 604' ' ' TRP . . . . . 0.513 ' CE2' ' SD ' ' A' ' 623' ' ' MET . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 107.991 -1.115 . . . . 74.02 107.991 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 605' ' ' LYS . . . . . 0.403 ' O ' ' SD ' ' A' ' 623' ' ' MET . 6.5 ptpt -92.13 163.41 27.3 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 73.53 109.309 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 606' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 161.09 39.19 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.513 1.797 . . . . 53.22 111.015 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 607' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 622' ' ' GLN . . . -123.55 -59.62 0.19 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.539 1.149 . . . . 71.25 110.989 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 608' ' ' GLY . . . . . 0.42 ' O ' ' HA ' ' A' ' 621' ' ' LEU . . . 148.23 148.23 4.7 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.021 -0.832 . . . . 63.45 111.021 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 609' ' ' VAL . . . . . 0.498 HG12 HG13 ' A' ' 618' ' ' VAL . 11.8 t -56.27 131.23 19.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.535 0.785 . . . . 71.34 109.339 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 610' ' ' ILE . . . . . 0.866 HG23 ' CD1' ' A' ' 588' ' ' TYR . 0.8 OUTLIER -103.68 143.92 14.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 54.53 109.309 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 611' ' ' SER . . . . . 0.401 ' O ' ' HA ' ' A' ' 588' ' ' TYR . 0.7 OUTLIER -137.07 118.35 14.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 63.32 109.979 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 612' ' ' CYS . . . . . 0.483 ' HB2' ' CE2' ' A' ' 619' ' ' TRP . 42.2 t -49.01 118.45 2.63 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.502 1.126 . . . . 72.42 108.301 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -67.61 -28.83 68.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.577 1.173 . . . . 64.23 110.305 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 614' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -65.8 -39.36 90.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 71.14 109.286 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 615' ' ' CYS . . . . . 1.213 ' SG ' ' CB ' ' A' ' 559' ' ' CYS . 0.0 OUTLIER -123.47 -76.15 0.59 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 62.23 108.323 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 616' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 148.77 -18.28 1.25 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.493 1.121 . . . . 72.21 110.961 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -42.7 102.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 0.74 . . . . 53.51 110.258 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 618' ' ' VAL . . . . . 0.498 HG13 HG12 ' A' ' 609' ' ' VAL . 86.2 t -55.66 109.31 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.171 . . . . 73.32 109.335 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 619' ' ' TRP . . . . . 0.527 ' NE1' ' CE ' ' A' ' 638' ' ' MET . 30.3 m0 -66.9 -54.75 19.08 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.973 -1.121 . . . . 74.22 107.973 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 620' ' ' GLY . . . . . 0.407 ' O ' ' HA ' ' A' ' 609' ' ' VAL . . . -178.82 -96.83 0.1 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.515 1.134 . . . . 54.02 111.008 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 621' ' ' LEU . . . . . 0.819 ' C ' HD23 ' A' ' 621' ' ' LEU . 0.0 OUTLIER -162.74 170.72 17.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 0.761 . . . . 42.42 109.321 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 622' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 607' ' ' GLY . 0.6 OUTLIER -101.9 157.62 16.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 75.15 110.295 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 623' ' ' MET . . . . . 0.678 ' C ' HD12 ' A' ' 624' ' ' ILE . 9.8 mmt -140.83 149.87 42.56 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.51 1.132 . . . . 64.12 110.993 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 624' ' ' ILE . . . . . 0.776 HD12 ' N ' ' A' ' 624' ' ' ILE . 2.7 mp -121.46 124.97 72.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 73.44 109.271 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 625' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -131.82 111.65 11.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 74.21 111.017 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 626' ' ' LYS . . . . . 0.507 ' O ' ' CB ' ' A' ' 627' ' ' SER . 0.0 OUTLIER 63.74 21.35 12.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 73.44 109.305 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 627' ' ' SER . . . . . 0.507 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.2 p 85.66 37.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 42.34 109.955 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 628' ' ' VAL . . . . . 0.756 ' CG1' HD21 ' A' ' 630' ' ' LEU . 54.6 t -124.9 114.38 40.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 71.31 109.27 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 629' ' ' LYS . . . . . 0.467 ' O ' HD23 ' A' ' 630' ' ' LEU . 3.4 mmmm -75.31 100.35 4.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 74.14 109.286 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 630' ' ' LEU . . . . . 0.841 HD22 HG22 ' A' ' 580' ' ' VAL . 32.6 mt -119.0 111.63 37.0 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 74.32 109.274 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 631' ' ' PRO . . . . . 0.648 ' HB2' HD11 ' A' ' 633' ' ' LEU . 18.2 Cg_endo -75.03 138.51 23.05 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.494 1.786 . . . . 70.03 110.987 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 632' ' ' VAL . . . . . 0.529 ' C ' HD13 ' A' ' 633' ' ' LEU . 31.0 t -100.09 89.08 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 73.33 109.267 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 633' ' ' LEU . . . . . 0.707 ' N ' HD13 ' A' ' 633' ' ' LEU . 0.1 OUTLIER -91.3 171.35 9.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 74.22 109.285 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 634' ' ' LYS . . . . . 0.581 ' CE ' ' CG ' ' A' ' 636' ' ' ARG . 1.5 ptmt -111.63 -171.39 1.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 74.41 109.324 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 635' ' ' VAL . . . . . 0.465 HG12 ' CD1' ' A' ' 652' ' ' TRP . 1.3 p -106.74 -44.31 7.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 74.22 109.259 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 636' ' ' ARG . . . . . 0.877 ' O ' HD13 ' A' ' 557' ' ' ILE . 2.9 ptp180 -60.15 -14.49 17.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 61.55 110.266 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 1.6 t -108.47 -16.11 14.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 50.34 109.988 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 638' ' ' MET . . . . . 0.527 ' CE ' ' NE1' ' A' ' 619' ' ' TRP . 34.9 mmt -106.41 122.35 46.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 71.35 110.981 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 639' ' ' LEU . . . . . 0.76 HD13 ' H ' ' A' ' 640' ' ' LEU . 0.3 OUTLIER -86.29 146.71 26.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 72.35 109.355 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 640' ' ' LEU . . . . . 0.76 ' H ' HD13 ' A' ' 639' ' ' LEU . 12.5 mt -114.33 95.47 5.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 60.11 109.331 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 641' ' ' GLU . . . . . 0.64 ' HB2' HD11 ' A' ' 555' ' ' LEU . 10.3 mt-10 -73.93 126.19 29.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 73.42 110.277 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 642' ' ' THR . . . . . 0.431 HG21 HD12 ' A' ' 647' ' ' ILE . 0.1 OUTLIER -138.83 159.98 64.93 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 74.55 110.38 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 1.22 8.01 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.509 1.794 . . . . 74.02 111.015 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -105.41 -10.67 16.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 71.34 110.285 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 124.46 134.69 4.28 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.514 1.134 . . . . 71.31 111.003 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 646' ' ' ARG . . . . . 0.436 ' HB3' HD11 ' A' ' 639' ' ' LEU . 7.2 mtm105 -44.31 148.84 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 0.729 . . . . 72.3 110.316 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 647' ' ' ILE . . . . . 0.431 HD12 HG21 ' A' ' 642' ' ' THR . 20.9 mt -138.72 138.82 41.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 70.55 109.296 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 648' ' ' GLN . . . . . 0.401 ' OE1' ' O ' ' A' ' 649' ' ' ALA . 0.1 OUTLIER -135.13 110.78 9.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 63.13 110.292 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 649' ' ' ALA . . . . . 0.501 ' HB1' ' HB2' ' A' ' 654' ' ' ARG . . . -106.54 165.72 11.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 53.2 109.319 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 11.9 mmtt -96.82 -32.77 11.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 55.3 109.302 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 18.7 mmmt -124.29 144.52 49.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 70.22 109.289 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 652' ' ' TRP . . . . . 0.694 ' CE3' ' CG ' ' A' ' 577' ' ' HIS . 42.5 m95 -61.53 -17.04 53.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 63.21 108.002 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 12.6 t -63.21 -12.97 32.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 62.4 110.016 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 654' ' ' ARG . . . . . 0.501 ' HB2' ' HB1' ' A' ' 649' ' ' ALA . 10.4 mmt180 -104.91 -26.62 12.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 75.13 110.3 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 655' ' ' VAL . . . . . 0.758 HG22 HD11 ' A' ' 640' ' ' LEU . 2.2 t -42.01 129.38 2.61 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.102 . . . . 53.4 109.289 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 656' ' ' PRO . . . . . 0.537 ' HD2' HD13 ' A' ' 640' ' ' LEU . 18.2 Cg_endo -75.01 -52.76 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.49 1.784 . . . . 74.12 110.982 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 657' ' ' PHE . . . . . 0.927 ' CE1' HG22 ' A' ' 659' ' ' VAL . 18.0 p90 -61.7 149.12 40.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.439 1.087 . . . . 72.13 110.944 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -84.71 146.37 27.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 72.35 109.992 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 659' ' ' VAL . . . . . 0.927 HG22 ' CE1' ' A' ' 657' ' ' PHE . 1.7 t -122.75 96.52 45.28 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 62.31 109.271 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 660' ' ' PRO . . . . . 0.447 ' O ' ' CB ' ' A' ' 570' ' ' ARG . 18.3 Cg_endo -75.0 147.38 33.85 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.474 1.776 . . . . 71.43 111.035 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 661' ' ' ASP . . . . . 0.404 ' HA ' ' O ' ' A' ' 571' ' ' LYS . 10.0 p30 -59.08 162.56 4.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 74.14 109.34 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 662' ' ' PHE . . . . . 0.743 ' CZ ' HG11 ' A' ' 628' ' ' VAL . 29.8 t80 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 74.21 110.985 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 546' ' ' GLN . . . . . 0.539 ' O ' ' CG ' ' A' ' 547' ' ' PHE . 5.6 mt-30 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.277 -0.268 . . . . 63.32 110.277 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 547' ' ' PHE . . . . . 0.675 ' CE1' HD11 ' A' ' 647' ' ' ILE . 93.8 m-85 -163.13 96.06 1.09 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 62.11 111.0 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 548' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 145.04 31.03 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.471 1.774 . . . . 51.43 111.044 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 549' ' ' VAL . . . . . 0.52 HG12 ' HB2' ' A' ' 657' ' ' PHE . 28.0 m -54.92 -43.97 70.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.108 . . . . 75.11 109.285 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -57.1 -18.68 15.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 74.44 110.267 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -101.48 -22.89 14.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 61.21 109.601 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 552' ' ' VAL . . . . . 0.782 HG21 ' HB3' ' A' ' 657' ' ' PHE . 55.3 t -88.78 129.67 39.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 51.21 109.338 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -117.86 148.76 41.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 72.4 110.32 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 554' ' ' LEU . . . . . 0.914 HD11 HD23 ' A' ' 569' ' ' LEU . 1.2 mt -92.06 114.08 26.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 63.24 109.303 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 555' ' ' LEU . . . . . 0.812 HD11 ' HB2' ' A' ' 641' ' ' GLU . 0.2 OUTLIER -135.06 177.26 7.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 71.41 109.314 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 556' ' ' CYS . . . . . 0.545 ' O ' ' N ' ' A' ' 560' ' ' MET . 5.3 t -102.51 102.55 12.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.013 -0.994 . . . . 73.32 110.881 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 557' ' ' ILE . . . . . 0.861 HD13 ' O ' ' A' ' 636' ' ' ARG . 1.3 pt -34.65 -34.21 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 73.14 109.299 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 558' ' ' ASN . . . . . 0.515 ' N ' ' O ' ' A' ' 556' ' ' CYS . 5.1 m-20 -73.95 -62.02 1.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 52.42 109.311 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 559' ' ' CYS . . . . . 1.158 ' CB ' ' SG ' ' A' ' 615' ' ' CYS . 1.7 m -80.59 -67.98 0.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 61.02 108.279 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 560' ' ' MET . . . . . 0.545 ' N ' ' O ' ' A' ' 556' ' ' CYS . 25.0 mtm 78.26 45.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 72.3 111.04 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 561' ' ' VAL . . . . . 0.696 ' O ' ' HB3' ' A' ' 562' ' ' ALA . 1.0 OUTLIER -104.95 -4.79 9.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 64.33 109.323 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 562' ' ' ALA . . . . . 0.696 ' HB3' ' O ' ' A' ' 561' ' ' VAL . . . 85.78 101.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 75.25 109.337 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 563' ' ' VAL . . . . . 0.693 HG12 ' CD1' ' A' ' 587' ' ' TYR . 1.7 m -99.71 -6.2 9.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 70.35 109.311 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -179.92 -160.22 25.05 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.505 1.128 . . . . 53.2 110.999 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 565' ' ' HIS . . . . . . . . . . . . . 9.1 m80 -127.22 148.72 50.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 0.768 . . . . 63.02 109.557 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 566' ' ' GLY . . . . . 0.573 ' O ' HD11 ' A' ' 569' ' ' LEU . . . -74.64 -9.67 82.55 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.517 1.135 . . . . 73.21 111.009 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 15.9 t -106.5 7.58 30.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 0.758 . . . . 45.43 109.974 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -113.48 -11.9 13.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 74.14 109.35 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 569' ' ' LEU . . . . . 0.914 HD23 HD11 ' A' ' 554' ' ' LEU . 0.2 OUTLIER -86.04 151.4 23.74 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 71.11 109.33 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 570' ' ' ARG . . . . . 0.746 ' HA ' HG23 ' A' ' 659' ' ' VAL . 92.0 mtt-85 -143.66 132.08 22.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 65.23 110.314 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 4.1 ptpt -73.99 158.25 34.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 71.33 109.274 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 572' ' ' VAL . . . . . 0.498 HG23 ' CG2' ' A' ' 578' ' ' VAL . 2.7 t -109.34 102.34 13.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 64.31 109.34 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 573' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 572' ' ' VAL . 8.0 pt-20 38.67 30.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 74.2 110.29 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 574' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 572' ' ' VAL . . . 58.54 49.66 74.64 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.54 1.15 . . . . 33.24 110.989 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 575' ' ' THR . . . . . 0.531 ' O ' ' CG ' ' A' ' 576' ' ' HIS . 2.0 m -117.23 -35.89 3.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 0.749 . . . . 35.02 110.437 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 576' ' ' HIS . . . . . 0.848 ' O ' HG13 ' A' ' 578' ' ' VAL . 6.0 m80 -173.64 109.51 0.16 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 72.51 109.598 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 577' ' ' HIS . . . . . 0.542 ' HE1' HG13 ' A' ' 659' ' ' VAL . 4.5 m-70 -47.12 127.52 10.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 75.24 109.618 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 578' ' ' VAL . . . . . 0.848 HG13 ' O ' ' A' ' 576' ' ' HIS . 23.1 m -133.23 108.41 12.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 75.14 109.309 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 579' ' ' ASN . . . . . 0.721 ' ND2' ' CE1' ' A' ' 584' ' ' PHE . 2.4 t30 -76.55 115.27 16.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.533 1.146 . . . . 65.13 109.301 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 580' ' ' VAL . . . . . 0.947 HG22 HD22 ' A' ' 630' ' ' LEU . 3.6 t -85.65 138.72 18.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 74.03 109.327 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 581' ' ' ASN . . . . . 0.469 ' CB ' ' HB2' ' A' ' 584' ' ' PHE . 2.9 m120 178.06 129.27 0.21 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 71.32 109.278 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 582' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -34.44 3.86 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.488 1.783 . . . . 71.25 111.028 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 583' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -78.23 -3.05 40.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 74.44 109.316 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 584' ' ' PHE . . . . . 0.721 ' CE1' ' ND2' ' A' ' 579' ' ' ASN . 2.3 t80 -71.18 -32.43 68.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 73.34 110.978 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 585' ' ' SER . . . . . 0.531 ' HA ' ' CE2' ' A' ' 588' ' ' TYR . 72.8 m -59.38 -23.48 62.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 73.3 110.021 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -87.38 -15.7 37.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 74.24 109.29 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 587' ' ' TYR . . . . . 0.693 ' CD1' HG12 ' A' ' 563' ' ' VAL . 5.1 m-85 -94.24 2.07 55.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 71.11 111.013 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 588' ' ' TYR . . . . . 0.702 ' CD1' HG23 ' A' ' 610' ' ' ILE . 2.1 p90 -161.17 163.55 31.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 60.53 110.996 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 589' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -131.09 126.46 35.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 73.32 109.301 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 590' ' ' VAL . . . . . 0.645 HG23 ' HE1' ' A' ' 588' ' ' TYR . 13.2 t -72.79 141.42 16.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 51.35 109.283 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 3.9 t . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 75.24 110.014 -179.994 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 604' ' ' TRP . . . . . 0.488 ' CE3' ' HB3' ' A' ' 623' ' ' MET . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 107.999 -1.112 . . . . 73.3 107.999 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 605' ' ' LYS . . . . . . . . . . . . . 9.4 pttt -86.61 165.33 33.38 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 74.02 109.234 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 606' ' ' PRO . . . . . 0.44 ' HA ' ' SD ' ' A' ' 623' ' ' MET . 18.4 Cg_endo -75.04 -169.47 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.497 1.788 . . . . 75.05 111.008 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 607' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 622' ' ' GLN . . . -150.44 -74.27 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.503 1.127 . . . . 40.33 111.01 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 608' ' ' GLY . . . . . 0.489 ' HA3' HG13 ' A' ' 590' ' ' VAL . . . 176.53 161.36 25.32 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.009 -0.836 . . . . 74.54 111.009 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 10.9 t -63.8 131.87 29.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.504 0.767 . . . . 72.5 109.318 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 610' ' ' ILE . . . . . 0.702 HG23 ' CD1' ' A' ' 588' ' ' TYR . 0.6 OUTLIER -99.81 142.5 15.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 72.41 109.295 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -134.66 129.11 34.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 73.43 110.026 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 612' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 616' ' ' GLY . 38.1 t -59.12 108.06 0.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 75.33 108.291 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 7.7 ttt180 -64.95 -32.96 74.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 73.54 110.255 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 614' ' ' ASN . . . . . 0.414 ' ND2' HG21 ' A' ' 561' ' ' VAL . 3.5 m120 -57.77 -48.38 79.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 72.34 109.251 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 615' ' ' CYS . . . . . 1.158 ' SG ' ' CB ' ' A' ' 559' ' ' CYS . 3.1 m -117.83 -73.66 0.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 61.33 108.289 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 616' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 157.17 -23.77 0.46 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.461 1.101 . . . . 62.22 111.005 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -42.76 109.12 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 0.742 . . . . 74.03 110.313 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 11.6 t -58.12 131.12 22.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 71.11 109.321 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 619' ' ' TRP . . . . . 0.534 ' NE1' ' CE ' ' A' ' 638' ' ' MET . 45.1 m0 -88.04 -46.33 9.42 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.952 -1.129 . . . . 74.45 107.952 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 620' ' ' GLY . . . . . . . . . . . . . . . 166.09 -108.44 0.32 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.496 1.122 . . . . 63.55 110.988 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 621' ' ' LEU . . . . . 0.658 ' C ' HD12 ' A' ' 621' ' ' LEU . 0.4 OUTLIER -149.32 169.95 19.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 0.763 . . . . 74.1 109.354 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 622' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 607' ' ' GLY . 1.1 tt0 -105.21 138.69 41.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 55.24 110.278 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 623' ' ' MET . . . . . 0.617 ' HG3' HG21 ' A' ' 632' ' ' VAL . 16.6 mmm -131.37 133.06 44.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 72.44 111.036 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 624' ' ' ILE . . . . . 0.446 HD12 ' N ' ' A' ' 624' ' ' ILE . 5.2 mp -99.98 137.71 26.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 75.23 109.306 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 625' ' ' TYR . . . . . 0.473 ' O ' ' CD2' ' A' ' 625' ' ' TYR . 15.0 t80 -136.77 105.02 5.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 73.51 110.975 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 626' ' ' LYS . . . . . 0.511 ' O ' ' CB ' ' A' ' 627' ' ' SER . 6.7 mmpt? 70.73 21.7 5.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 74.35 109.336 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 627' ' ' SER . . . . . 0.511 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.2 p 85.58 39.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 74.24 110.006 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 628' ' ' VAL . . . . . 0.728 HG12 ' HG ' ' A' ' 630' ' ' LEU . 43.5 t -129.39 110.48 20.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 74.12 109.294 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm -68.42 99.46 0.96 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 72.51 109.311 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 630' ' ' LEU . . . . . 0.947 HD22 HG22 ' A' ' 580' ' ' VAL . 46.0 mt -115.3 111.86 44.24 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 71.45 109.3 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 631' ' ' PRO . . . . . 0.686 ' HB2' HD11 ' A' ' 633' ' ' LEU . 18.2 Cg_endo -75.01 140.79 25.83 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.473 1.775 . . . . 73.11 110.998 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 632' ' ' VAL . . . . . 0.85 ' C ' HD13 ' A' ' 633' ' ' LEU . 5.5 t -106.27 99.98 9.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 61.22 109.302 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 633' ' ' LEU . . . . . 0.85 HD13 ' C ' ' A' ' 632' ' ' VAL . 0.0 OUTLIER -104.54 171.31 7.4 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.123 . . . . 72.53 109.271 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 634' ' ' LYS . . . . . 0.478 ' CD ' ' O ' ' A' ' 619' ' ' TRP . 0.5 OUTLIER -97.93 -172.3 2.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 74.55 109.283 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 635' ' ' VAL . . . . . 0.526 HG11 ' CA ' ' A' ' 651' ' ' LYS . 4.2 p -109.1 -22.69 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 71.2 109.298 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 636' ' ' ARG . . . . . 0.861 ' O ' HD13 ' A' ' 557' ' ' ILE . 0.0 OUTLIER -83.99 -12.49 55.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 73.42 110.286 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 637' ' ' SER . . . . . 0.473 ' O ' ' HE2' ' A' ' 638' ' ' MET . 11.0 m -102.25 -15.39 16.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.12 . . . . 74.35 110.04 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 638' ' ' MET . . . . . 0.534 ' CE ' ' NE1' ' A' ' 619' ' ' TRP . 34.6 mmt -109.81 128.8 55.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 74.42 110.982 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 639' ' ' LEU . . . . . 0.693 HD12 ' HA ' ' A' ' 557' ' ' ILE . 0.7 OUTLIER -95.81 150.85 19.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 64.35 109.307 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 640' ' ' LEU . . . . . 0.492 HD13 ' O ' ' A' ' 639' ' ' LEU . 0.9 OUTLIER -113.41 94.75 5.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 64.13 109.311 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 641' ' ' GLU . . . . . 0.812 ' HB2' HD11 ' A' ' 555' ' ' LEU . 7.0 mt-10 -73.82 121.6 21.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 50.24 110.27 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 642' ' ' THR . . . . . 0.627 HG21 HD12 ' A' ' 647' ' ' ILE . 0.1 OUTLIER -131.33 160.12 68.6 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 52.32 110.411 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 1.79 7.31 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.523 1.801 . . . . 71.3 110.974 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -108.96 -4.55 16.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 71.23 110.294 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 124.27 146.02 6.83 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.53 1.144 . . . . 54.21 111.039 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 646' ' ' ARG . . . . . 0.458 ' HB3' HD21 ' A' ' 639' ' ' LEU . 55.2 mtm-85 -55.81 146.37 21.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 0.746 . . . . 75.13 110.332 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 647' ' ' ILE . . . . . 0.675 HD11 ' CE1' ' A' ' 547' ' ' PHE . 49.2 mt -136.24 121.51 27.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 35.14 109.27 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 648' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.83 109.77 15.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 74.55 110.32 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 649' ' ' ALA . . . . . . . . . . . . . . . -107.32 176.07 5.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.437 1.086 . . . . 71.41 109.298 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 28.4 mttm -124.25 1.62 8.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 73.34 109.277 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 651' ' ' LYS . . . . . 0.526 ' CA ' HG11 ' A' ' 635' ' ' VAL . 0.7 OUTLIER -145.24 137.35 25.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 54.42 109.292 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 652' ' ' TRP . . . . . 0.588 ' HA ' HG23 ' A' ' 655' ' ' VAL . 65.0 m95 -66.98 -12.33 59.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 74.41 108.0 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 47.1 t -72.04 -19.98 61.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 63.51 109.991 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 654' ' ' ARG . . . . . . . . . . . . . 10.3 mmt180 -103.06 -16.33 15.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 72.14 110.312 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 655' ' ' VAL . . . . . 0.665 HG13 ' CD1' ' A' ' 657' ' ' PHE . 2.2 t -40.23 132.97 1.57 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 71.12 109.287 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 656' ' ' PRO . . . . . 0.461 ' HB2' ' CB ' ' A' ' 547' ' ' PHE . 18.4 Cg_endo -75.0 -53.94 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.514 1.797 . . . . 73.35 111.005 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 657' ' ' PHE . . . . . 0.782 ' HB3' HG21 ' A' ' 552' ' ' VAL . 49.6 p90 -66.5 172.15 4.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 73.03 111.009 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 658' ' ' SER . . . . . 0.459 ' O ' HG11 ' A' ' 549' ' ' VAL . 0.8 OUTLIER -120.46 150.05 41.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 71.32 109.969 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 659' ' ' VAL . . . . . 0.746 HG23 ' HA ' ' A' ' 570' ' ' ARG . 0.1 OUTLIER -149.29 115.3 3.63 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 65.42 109.317 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 660' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 173.68 14.09 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.531 1.806 . . . . 72.11 110.975 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.32 150.77 44.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 64.12 109.298 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 662' ' ' PHE . . . . . 0.466 ' CZ ' HG11 ' A' ' 628' ' ' VAL . 64.1 t80 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 75.13 110.981 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 546' ' ' GLN . . . . . 0.593 ' C ' ' CD1' ' A' ' 547' ' ' PHE . 10.1 mt-30 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 110.272 -0.27 . . . . 72.24 110.272 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 547' ' ' PHE . . . . . 0.593 ' CD1' ' C ' ' A' ' 546' ' ' GLN . 0.1 OUTLIER -159.28 101.77 1.54 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 75.4 110.999 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 548' ' ' PRO . . . . . 0.464 ' O ' HG23 ' A' ' 552' ' ' VAL . 18.2 Cg_endo -75.03 140.67 25.64 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.504 1.792 . . . . 75.2 111.022 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 549' ' ' VAL . . . . . 0.596 HG12 ' HB2' ' A' ' 657' ' ' PHE . 33.7 m -52.47 -46.43 47.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 63.33 109.307 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 550' ' ' GLU . . . . . 0.411 ' N ' HG23 ' A' ' 549' ' ' VAL . 3.1 pt-20 -54.03 -24.19 16.19 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 72.45 110.298 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 551' ' ' HIS . . . . . 0.449 ' CG ' ' HG2' ' A' ' 548' ' ' PRO . 23.2 m170 -98.24 -24.15 15.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 63.01 109.597 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 552' ' ' VAL . . . . . 0.588 ' CG1' HD12 ' A' ' 640' ' ' LEU . 98.9 t -88.56 121.73 39.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 73.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 553' ' ' GLN . . . . . 0.74 ' HB3' HD11 ' A' ' 555' ' ' LEU . 9.5 tt0 -107.48 169.74 8.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 54.44 110.308 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 554' ' ' LEU . . . . . 0.796 HD11 HD23 ' A' ' 569' ' ' LEU . 1.9 mt -107.7 106.54 16.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 75.04 109.313 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 555' ' ' LEU . . . . . 0.84 HD12 ' N ' ' A' ' 555' ' ' LEU . 0.1 OUTLIER -122.83 170.63 9.9 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.469 1.106 . . . . 75.22 109.283 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 556' ' ' CYS . . . . . 0.556 ' O ' ' N ' ' A' ' 560' ' ' MET . 3.6 t -102.54 110.11 21.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 114.976 -1.011 . . . . 62.34 110.923 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 557' ' ' ILE . . . . . 0.894 HD13 ' O ' ' A' ' 636' ' ' ARG . 0.7 OUTLIER -36.46 -31.89 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 74.41 109.262 -179.911 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 558' ' ' ASN . . . . . 0.502 ' N ' ' O ' ' A' ' 556' ' ' CYS . 5.7 m-20 -86.53 -67.02 0.84 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 71.04 109.307 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 559' ' ' CYS . . . . . 1.033 ' CB ' ' SG ' ' A' ' 615' ' ' CYS . 3.9 m -62.53 -64.97 0.76 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 71.23 108.282 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 560' ' ' MET . . . . . 0.556 ' N ' ' O ' ' A' ' 556' ' ' CYS . 10.8 mtm 68.04 40.81 2.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 64.43 111.004 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 561' ' ' VAL . . . . . 0.429 ' O ' HG23 ' A' ' 561' ' ' VAL . 1.0 OUTLIER -115.67 11.41 7.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 61.32 109.321 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 562' ' ' ALA . . . . . 0.422 ' HA ' ' HG ' ' A' ' 555' ' ' LEU . . . 65.8 113.43 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 74.33 109.318 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 563' ' ' VAL . . . . . 0.968 HG12 ' CD1' ' A' ' 587' ' ' TYR . 0.8 OUTLIER -108.69 -16.91 8.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 51.4 109.296 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -159.14 -141.03 3.04 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.444 1.09 . . . . 55.52 110.993 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 565' ' ' HIS . . . . . . . . . . . . . 52.7 m80 -150.09 153.16 35.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 0.768 . . . . 75.22 109.598 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 566' ' ' GLY . . . . . 0.653 ' O ' HD11 ' A' ' 569' ' ' LEU . . . -85.38 -0.9 88.26 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.496 1.123 . . . . 43.04 110.959 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 54.8 p -112.48 2.02 16.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 0.741 . . . . 73.22 109.965 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 568' ' ' ASP . . . . . 0.441 ' O ' ' NH1' ' A' ' 570' ' ' ARG . 1.6 m-20 -110.82 -18.8 13.03 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 71.22 109.307 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 569' ' ' LEU . . . . . 0.796 HD23 HD11 ' A' ' 554' ' ' LEU . 0.2 OUTLIER -77.71 157.13 30.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 70.52 109.272 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 570' ' ' ARG . . . . . 0.664 ' HA ' HG23 ' A' ' 659' ' ' VAL . 8.0 mpt_? -132.14 -177.2 4.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 72.32 110.287 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 571' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 662' ' ' PHE . 15.1 ttmt -120.0 158.32 27.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 72.4 109.311 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 2.5 t -131.75 104.58 8.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 74.22 109.287 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 573' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 38.97 39.68 0.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 42.11 110.254 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 40.84 50.65 4.12 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.534 1.146 . . . . 55.5 110.974 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 575' ' ' THR . . . . . 0.537 ' O ' ' CG ' ' A' ' 576' ' ' HIS . 2.8 m -109.8 -50.63 2.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 0.754 . . . . 61.55 110.427 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 576' ' ' HIS . . . . . 0.721 ' O ' HG13 ' A' ' 578' ' ' VAL . 29.6 m80 -163.53 106.68 0.99 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 75.14 109.579 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 577' ' ' HIS . . . . . 0.608 ' CE1' ' CB ' ' A' ' 652' ' ' TRP . 19.5 m80 -41.08 133.48 2.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 73.31 109.572 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 578' ' ' VAL . . . . . 0.721 HG13 ' O ' ' A' ' 576' ' ' HIS . 30.3 m -129.33 109.66 18.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 73.32 109.322 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 579' ' ' ASN . . . . . 0.481 ' HB3' HD23 ' A' ' 633' ' ' LEU . 1.6 t-20 -79.69 108.32 13.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 64.3 109.32 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 580' ' ' VAL . . . . . 0.801 HG13 HD23 ' A' ' 630' ' ' LEU . 2.5 t -82.31 140.21 16.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 55.13 109.271 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 581' ' ' ASN . . . . . 0.459 ' CB ' ' HB2' ' A' ' 584' ' ' PHE . 3.2 m120 179.42 128.39 0.23 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 74.44 109.325 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 582' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -33.54 4.54 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.504 1.792 . . . . 70.32 110.993 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 583' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -80.04 0.23 32.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 64.34 109.34 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 584' ' ' PHE . . . . . 0.525 ' O ' ' CD2' ' A' ' 588' ' ' TYR . 3.0 t80 -73.16 -30.19 63.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 63.05 110.962 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 585' ' ' SER . . . . . 0.466 ' HA ' ' CE2' ' A' ' 588' ' ' TYR . 30.0 p -57.94 -23.8 55.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 75.23 110.009 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -87.73 -17.85 30.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 74.31 109.317 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 587' ' ' TYR . . . . . 0.968 ' CD1' HG12 ' A' ' 563' ' ' VAL . 7.7 m-85 -93.74 4.55 53.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 64.43 110.994 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 588' ' ' TYR . . . . . 0.832 ' CD1' HG23 ' A' ' 610' ' ' ILE . 1.3 p90 -164.06 159.91 21.07 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.142 . . . . 75.41 111.004 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 589' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -135.88 129.43 32.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 70.53 109.33 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 590' ' ' VAL . . . . . 0.579 HG13 ' HA3' ' A' ' 608' ' ' GLY . 21.3 t -72.55 139.98 18.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 73.01 109.338 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 13.3 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 75.51 110.04 179.979 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 604' ' ' TRP . . . . . 0.549 ' CD2' ' SD ' ' A' ' 623' ' ' MET . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 107.98 -1.119 . . . . 74.43 107.98 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 605' ' ' LYS . . . . . . . . . . . . . 15.3 pttt -118.52 157.36 49.79 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 74.44 109.321 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 606' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 146.06 32.47 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.483 1.781 . . . . 72.22 111.015 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 607' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 622' ' ' GLN . . . -111.73 -93.21 2.13 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.485 1.116 . . . . 73.3 111.019 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 608' ' ' GLY . . . . . 0.579 ' HA3' HG13 ' A' ' 590' ' ' VAL . . . -160.74 144.6 10.08 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.005 -0.838 . . . . 65.41 111.005 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 609' ' ' VAL . . . . . 0.433 ' CG1' HG13 ' A' ' 618' ' ' VAL . 58.1 t -53.34 124.16 5.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.515 0.773 . . . . 52.32 109.267 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 610' ' ' ILE . . . . . 0.832 HG23 ' CD1' ' A' ' 588' ' ' TYR . 1.0 OUTLIER -93.76 145.09 8.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 64.42 109.306 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -142.82 117.38 9.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 62.34 109.951 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 612' ' ' CYS . . . . . 0.445 ' O ' ' N ' ' A' ' 616' ' ' GLY . 26.6 t -44.74 119.79 2.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 75.44 108.314 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 10.1 ttt180 -69.36 -28.65 66.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 71.22 110.245 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 614' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -64.28 -39.62 94.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 72.0 109.325 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 615' ' ' CYS . . . . . 1.033 ' SG ' ' CB ' ' A' ' 559' ' ' CYS . 0.0 OUTLIER -121.69 -75.95 0.59 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 64.32 108.284 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 616' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 149.44 -18.64 1.16 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.496 1.123 . . . . 51.21 111.039 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -42.81 105.72 0.05 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 0.759 . . . . 53.11 110.294 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 618' ' ' VAL . . . . . 0.433 HG13 ' CG1' ' A' ' 609' ' ' VAL . 88.7 t -55.34 112.06 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 63.42 109.319 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 619' ' ' TRP . . . . . 0.801 ' CE2' ' HE3' ' A' ' 638' ' ' MET . 36.7 m0 -70.14 -54.45 12.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 72.22 108.011 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 620' ' ' GLY . . . . . 0.409 ' O ' ' HA ' ' A' ' 609' ' ' VAL . . . -179.37 -101.16 0.15 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.486 1.116 . . . . 55.11 110.993 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 621' ' ' LEU . . . . . 0.827 ' C ' HD23 ' A' ' 621' ' ' LEU . 0.0 OUTLIER -160.82 157.18 26.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 0.772 . . . . 73.34 109.289 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 622' ' ' GLN . . . . . 0.554 ' HA ' HD11 ' A' ' 610' ' ' ILE . 0.8 OUTLIER -86.27 137.17 32.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 71.34 110.309 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 623' ' ' MET . . . . . 0.679 ' C ' HD12 ' A' ' 624' ' ' ILE . 5.2 mmt -117.67 153.55 33.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 73.42 110.961 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 624' ' ' ILE . . . . . 0.795 HD12 ' N ' ' A' ' 624' ' ' ILE . 2.3 mp -118.95 133.81 64.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.572 1.17 . . . . 73.23 109.304 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 625' ' ' TYR . . . . . 0.438 ' HB3' HD12 ' A' ' 630' ' ' LEU . 24.8 t80 -139.08 107.38 5.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.122 . . . . 60.02 111.026 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 626' ' ' LYS . . . . . 0.505 ' O ' ' CB ' ' A' ' 627' ' ' SER . 0.1 OUTLIER 67.96 18.51 9.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 73.2 109.311 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 627' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.1 p 85.43 43.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.122 . . . . 71.54 110.023 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 628' ' ' VAL . . . . . 0.666 HG12 ' HG ' ' A' ' 630' ' ' LEU . 43.9 t -129.13 131.27 68.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 54.34 109.316 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 10.3 mmmt -77.9 100.03 6.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 73.23 109.302 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 630' ' ' LEU . . . . . 0.801 HD23 HG13 ' A' ' 580' ' ' VAL . 26.0 mt -120.46 112.54 34.16 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 75.42 109.262 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 631' ' ' PRO . . . . . 0.679 ' HB2' HD11 ' A' ' 633' ' ' LEU . 18.3 Cg_endo -74.99 138.23 22.79 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.544 1.813 . . . . 72.02 111.006 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 632' ' ' VAL . . . . . 0.731 ' C ' HD13 ' A' ' 633' ' ' LEU . 59.5 t -105.72 93.67 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 65.33 109.285 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 633' ' ' LEU . . . . . 0.815 ' N ' HD13 ' A' ' 633' ' ' LEU . 0.0 OUTLIER -98.5 171.94 7.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 74.41 109.282 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 2.4 pttt -110.92 -173.65 2.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.097 . . . . 45.32 109.281 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 635' ' ' VAL . . . . . 0.925 HG11 ' C ' ' A' ' 651' ' ' LYS . 8.9 p -103.01 -23.01 4.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 71.5 109.323 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 636' ' ' ARG . . . . . 0.894 ' O ' HD13 ' A' ' 557' ' ' ILE . 5.4 mtm180 -67.45 -39.01 85.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 73.4 110.313 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 88.8 p -89.55 -6.32 56.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 50.44 109.998 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 638' ' ' MET . . . . . 0.801 ' HE3' ' CE2' ' A' ' 619' ' ' TRP . 32.4 mmt -112.88 122.95 49.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.113 . . . . 72.12 111.014 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 639' ' ' LEU . . . . . 0.765 HD21 ' HD2' ' A' ' 646' ' ' ARG . 14.4 tp -98.2 138.07 36.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 75.51 109.365 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 640' ' ' LEU . . . . . 0.643 ' H ' HD12 ' A' ' 639' ' ' LEU . 1.9 mm? -99.76 116.92 32.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.138 . . . . 74.35 109.263 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 641' ' ' GLU . . . . . 0.461 ' CD ' HD21 ' A' ' 555' ' ' LEU . 7.4 mt-10 -89.37 129.7 35.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 74.54 110.302 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 642' ' ' THR . . . . . 0.666 HG21 HD12 ' A' ' 647' ' ' ILE . 0.2 OUTLIER -141.03 160.28 58.68 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 61.35 110.402 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 2.36 6.72 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.518 1.799 . . . . 75.42 111.033 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -109.48 -4.95 15.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 75.23 110.29 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 120.91 134.18 4.58 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.483 1.114 . . . . 50.41 110.972 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 646' ' ' ARG . . . . . 0.765 ' HD2' HD21 ' A' ' 639' ' ' LEU . 23.9 mtm-85 -46.36 148.26 0.97 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 0.778 . . . . 64.44 110.336 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 647' ' ' ILE . . . . . 0.666 HD12 HG21 ' A' ' 642' ' ' THR . 18.2 mt -133.6 121.54 41.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 75.32 109.299 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 648' ' ' GLN . . . . . 0.431 ' OE1' ' N ' ' A' ' 649' ' ' ALA . 0.3 OUTLIER -122.0 108.9 13.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 75.23 110.319 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 649' ' ' ALA . . . . . 0.431 ' N ' ' OE1' ' A' ' 648' ' ' GLN . . . -106.35 -174.49 2.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 32.42 109.314 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 51.5 mttt -115.14 -9.79 12.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 75.21 109.283 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 651' ' ' LYS . . . . . 0.925 ' C ' HG11 ' A' ' 635' ' ' VAL . 2.6 mmmp? -142.43 160.57 40.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 64.24 109.334 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 652' ' ' TRP . . . . . 0.738 ' HA ' HG23 ' A' ' 655' ' ' VAL . 22.2 m95 -80.23 -5.38 56.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 74.54 107.955 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 2.2 t -68.05 -13.75 62.44 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.472 1.107 . . . . 75.34 110.011 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 654' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 655' ' ' VAL . 9.0 mmt180 -109.55 -16.49 13.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 74.34 110.32 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 655' ' ' VAL . . . . . 0.803 HG13 ' CD1' ' A' ' 657' ' ' PHE . 2.5 t -40.19 126.93 1.7 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 70.22 109.308 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 656' ' ' PRO . . . . . 0.523 ' HB2' ' CG ' ' A' ' 547' ' ' PHE . 18.2 Cg_endo -75.01 -49.6 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.445 1.761 . . . . 74.52 110.926 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 657' ' ' PHE . . . . . 0.803 ' CD1' HG13 ' A' ' 655' ' ' VAL . 40.4 p90 -67.84 173.16 4.62 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.468 1.105 . . . . 74.11 111.005 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 658' ' ' SER . . . . . 0.543 ' O ' HG11 ' A' ' 549' ' ' VAL . 0.7 OUTLIER -121.26 149.98 42.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 74.25 110.008 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 659' ' ' VAL . . . . . 0.664 HG23 ' HA ' ' A' ' 570' ' ' ARG . 0.2 OUTLIER -150.36 106.52 3.14 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 51.42 109.319 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 660' ' ' PRO . . . . . 0.411 ' O ' ' N ' ' A' ' 571' ' ' LYS . 18.3 Cg_endo -75.04 177.69 8.27 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.519 1.8 . . . . 71.25 111.029 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -58.58 161.01 4.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 64.13 109.264 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 662' ' ' PHE . . . . . 0.458 ' N ' ' O ' ' A' ' 571' ' ' LYS . 34.8 t80 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 73.35 110.987 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 546' ' ' GLN . . . . . 0.593 ' C ' ' CD1' ' A' ' 547' ' ' PHE . 41.8 mt-30 . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 110.339 -0.245 . . . . 75.13 110.339 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 547' ' ' PHE . . . . . 0.593 ' CD1' ' C ' ' A' ' 546' ' ' GLN . 0.2 OUTLIER -156.45 96.31 2.24 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 55.35 111.028 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 548' ' ' PRO . . . . . 0.494 ' HG2' ' CG ' ' A' ' 551' ' ' HIS . 18.5 Cg_endo -74.93 141.47 26.91 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.554 1.818 . . . . 63.21 111.06 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 549' ' ' VAL . . . . . 0.586 HG12 ' HB2' ' A' ' 657' ' ' PHE . 20.3 m -52.6 -45.8 48.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 73.15 109.281 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -55.0 -24.63 25.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 71.04 110.286 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 551' ' ' HIS . . . . . 0.494 ' CG ' ' HG2' ' A' ' 548' ' ' PRO . 23.5 m170 -96.68 -22.79 16.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 73.03 109.62 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 552' ' ' VAL . . . . . 0.801 HG11 ' CD2' ' A' ' 657' ' ' PHE . 83.4 t -89.09 109.38 20.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 53.24 109.32 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 553' ' ' GLN . . . . . 0.778 ' HB3' HD11 ' A' ' 555' ' ' LEU . 9.2 tt0 -97.04 169.88 9.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 72.22 110.281 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 554' ' ' LEU . . . . . 1.079 HD11 HD23 ' A' ' 569' ' ' LEU . 3.5 mt -110.73 106.8 16.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 65.12 109.3 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 555' ' ' LEU . . . . . 0.852 HD12 ' N ' ' A' ' 555' ' ' LEU . 0.0 OUTLIER -123.64 170.9 9.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 75.41 109.33 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 556' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' ' 559' ' ' CYS . 18.1 t -97.78 106.13 18.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.01 -0.995 . . . . 72.41 110.87 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 557' ' ' ILE . . . . . 0.975 HD13 ' O ' ' A' ' 636' ' ' ARG . 1.3 pt -37.03 -33.24 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 72.32 109.331 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 558' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 556' ' ' CYS . 7.5 m-20 -83.69 -49.05 9.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 72.24 109.314 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 559' ' ' CYS . . . . . 1.37 ' SG ' ' CB ' ' A' ' 615' ' ' CYS . 3.8 m -123.15 70.52 1.03 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 72.42 108.285 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 560' ' ' MET . . . . . 0.617 ' HG2' HD23 ' A' ' 639' ' ' LEU . 6.4 mtm -61.66 72.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 64.33 110.97 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 561' ' ' VAL . . . . . 0.719 HG13 ' O ' ' A' ' 559' ' ' CYS . 1.0 OUTLIER -110.88 -8.67 11.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 64.22 109.294 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 562' ' ' ALA . . . . . 0.65 ' HB3' ' O ' ' A' ' 561' ' ' VAL . . . 81.85 107.46 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 45.31 109.302 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 563' ' ' VAL . . . . . 0.518 ' HA ' ' CD2' ' A' ' 587' ' ' TYR . 0.5 OUTLIER -106.13 -8.77 10.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 74.54 109.258 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -172.11 -149.79 6.87 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.462 1.101 . . . . 62.14 110.981 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 565' ' ' HIS . . . . . . . . . . . . . 20.6 m80 -143.94 146.23 32.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 0.751 . . . . 63.01 109.606 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 566' ' ' GLY . . . . . 0.498 ' O ' ' CD1' ' A' ' 569' ' ' LEU . . . -66.46 -24.39 72.32 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.462 1.101 . . . . 41.2 110.998 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 2.6 p -98.06 7.93 45.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 0.769 . . . . 64.11 109.993 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -111.79 -17.46 12.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 75.3 109.289 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 569' ' ' LEU . . . . . 1.079 HD23 HD11 ' A' ' 554' ' ' LEU . 0.1 OUTLIER -87.9 170.05 11.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 74.41 109.297 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 570' ' ' ARG . . . . . 0.473 ' CD ' ' HA ' ' A' ' 662' ' ' PHE . 41.9 mtt180 -154.78 173.37 16.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 74.43 110.267 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 571' ' ' LYS . . . . . 0.483 ' HD3' ' CE1' ' A' ' 577' ' ' HIS . 31.9 mtmt -110.75 122.3 47.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 73.43 109.277 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 572' ' ' VAL . . . . . 1.041 HG23 HG21 ' A' ' 578' ' ' VAL . 2.8 t -77.85 117.08 22.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 74.32 109.295 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 573' ' ' GLU . . . . . 0.626 ' HG2' HG12 ' A' ' 572' ' ' VAL . 9.6 pt-20 43.91 35.4 1.11 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 52.31 110.287 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 47.39 47.16 22.48 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.497 1.123 . . . . 44.54 111.001 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 1.3 m -113.51 -58.69 2.12 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.486 0.756 . . . . 72.54 110.385 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 13.8 m170 -138.54 149.14 45.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 63.2 109.617 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 577' ' ' HIS . . . . . 0.648 ' CG ' ' CE3' ' A' ' 652' ' ' TRP . 17.5 m-70 -73.98 106.87 5.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 72.12 109.617 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 578' ' ' VAL . . . . . 1.041 HG21 HG23 ' A' ' 572' ' ' VAL . 19.0 m -110.31 120.71 61.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 75.12 109.295 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 579' ' ' ASN . . . . . 0.476 ' HA ' ' CB ' ' A' ' 569' ' ' LEU . 8.9 t30 -92.04 120.34 32.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 45.54 109.316 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 580' ' ' VAL . . . . . 0.675 HG22 HD22 ' A' ' 630' ' ' LEU . 2.7 t -90.77 138.86 18.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 73.13 109.276 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 581' ' ' ASN . . . . . 0.447 ' OD1' ' N ' ' A' ' 584' ' ' PHE . 23.1 t-20 173.58 130.43 0.11 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 72.02 109.273 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 582' ' ' PRO . . . . . 0.424 ' HD2' ' ND2' ' A' ' 581' ' ' ASN . 18.3 Cg_endo -74.98 -27.54 9.97 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.52 1.8 . . . . 73.11 111.023 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 583' ' ' ASN . . . . . 0.593 ' O ' ' CD1' ' A' ' 587' ' ' TYR . 0.3 OUTLIER -78.55 -0.16 28.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 61.43 109.256 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 584' ' ' PHE . . . . . 0.535 ' O ' ' CD2' ' A' ' 588' ' ' TYR . 2.2 t80 -78.47 -29.23 46.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 71.32 110.962 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 86.4 p -61.97 -32.92 73.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 61.05 109.99 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -87.45 -8.84 56.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 73.54 109.279 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 587' ' ' TYR . . . . . 0.593 ' CD1' ' O ' ' A' ' 583' ' ' ASN . 8.8 m-30 -93.57 -11.53 31.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 63.53 111.037 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 588' ' ' TYR . . . . . 0.934 ' CD1' HG23 ' A' ' 610' ' ' ILE . 1.2 p90 -150.59 160.15 44.0 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 72.31 110.965 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 589' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -129.83 130.97 45.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.132 . . . . 74.22 109.293 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 590' ' ' VAL . . . . . 0.569 HG23 ' HE1' ' A' ' 588' ' ' TYR . 24.8 t -72.2 132.1 33.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 75.04 109.315 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 3.8 m . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 73.12 109.979 -179.99 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 604' ' ' TRP . . . . . 1.032 ' CE3' HG11 ' A' ' 572' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 108.026 -1.101 . . . . 74.51 108.026 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 605' ' ' LYS . . . . . . . . . . . . . 9.0 ptpt -86.1 153.79 57.24 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.095 . . . . 64.43 109.257 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 606' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -162.41 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.466 1.772 . . . . 71.44 111.023 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 607' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 622' ' ' GLN . . . -154.05 -99.28 0.17 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.502 1.126 . . . . 53.12 110.956 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 608' ' ' GLY . . . . . 0.475 ' HA3' HG13 ' A' ' 590' ' ' VAL . . . -149.78 143.41 10.74 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.968 -0.853 . . . . 65.22 110.968 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 41.1 t -51.84 125.34 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 0.78 . . . . 61.12 109.286 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 610' ' ' ILE . . . . . 0.934 HG23 ' CD1' ' A' ' 588' ' ' TYR . 0.6 OUTLIER -92.78 148.05 4.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 73.11 109.289 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.52 130.67 30.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 65.12 109.995 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 612' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 616' ' ' GLY . 46.3 t -59.15 109.19 0.8 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.556 1.16 . . . . 74.4 108.342 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 14.4 ttt-85 -69.76 -29.58 66.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 75.43 110.331 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 614' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -62.8 -35.55 80.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 73.12 109.286 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 615' ' ' CYS . . . . . 1.37 ' CB ' ' SG ' ' A' ' 559' ' ' CYS . 39.2 m -132.6 -74.77 0.5 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 74.4 108.304 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 616' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 160.71 -24.99 0.27 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.525 1.141 . . . . 73.13 111.026 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -42.23 105.55 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 0.758 . . . . 60.24 110.264 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 618' ' ' VAL . . . . . 0.424 HG13 ' O ' ' A' ' 610' ' ' ILE . 49.3 t -57.43 132.64 21.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 63.35 109.291 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 619' ' ' TRP . . . . . 0.438 ' O ' ' CD ' ' A' ' 634' ' ' LYS . 38.5 m0 -91.84 -41.5 10.6 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.036 -1.098 . . . . 73.31 108.036 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 620' ' ' GLY . . . . . . . . . . . . . . . 163.16 -114.64 0.61 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.487 1.117 . . . . 71.44 111.008 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 621' ' ' LEU . . . . . 0.737 HD22 ' C ' ' A' ' 621' ' ' LEU . 0.0 OUTLIER -149.39 154.66 39.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 0.782 . . . . 63.41 109.358 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 622' ' ' GLN . . . . . 0.553 ' N ' HD22 ' A' ' 621' ' ' LEU . 0.0 OUTLIER -82.26 135.89 35.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 71.32 110.312 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 623' ' ' MET . . . . . 0.61 ' SD ' ' CZ2' ' A' ' 604' ' ' TRP . 10.0 mtp -123.89 136.91 54.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 73.2 111.003 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 624' ' ' ILE . . . . . 0.515 HG13 ' HZ3' ' A' ' 629' ' ' LYS . 4.9 mp -103.42 154.75 5.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 75.44 109.29 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 625' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -159.63 122.19 3.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 72.0 110.985 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 626' ' ' LYS . . . . . 0.491 ' O ' ' CB ' ' A' ' 627' ' ' SER . 0.0 OUTLIER 57.14 18.12 3.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.127 . . . . 65.03 109.301 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 627' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.2 p 85.12 37.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 73.21 109.97 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 628' ' ' VAL . . . . . 0.805 HG12 ' HG ' ' A' ' 630' ' ' LEU . 54.6 t -124.68 135.03 65.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 74.11 109.266 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 629' ' ' LYS . . . . . 0.515 ' HZ3' HG13 ' A' ' 624' ' ' ILE . 0.0 OUTLIER -83.98 100.76 11.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 71.11 109.284 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 630' ' ' LEU . . . . . 0.805 ' HG ' HG12 ' A' ' 628' ' ' VAL . 10.5 mt -125.44 111.41 25.89 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.429 1.081 . . . . 74.23 109.322 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 631' ' ' PRO . . . . . 0.673 ' O ' HG12 ' A' ' 578' ' ' VAL . 18.4 Cg_endo -74.99 163.19 35.85 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.493 1.786 . . . . 75.21 111.012 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 632' ' ' VAL . . . . . 0.65 ' C ' HD13 ' A' ' 633' ' ' LEU . 25.3 t -125.08 91.61 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 74.11 109.311 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 633' ' ' LEU . . . . . 0.805 ' N ' HD13 ' A' ' 633' ' ' LEU . 0.0 OUTLIER -94.37 171.26 8.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 60.14 109.295 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 634' ' ' LYS . . . . . 0.438 ' CD ' ' O ' ' A' ' 619' ' ' TRP . 2.8 mtpt -100.7 -175.3 2.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 73.12 109.299 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 635' ' ' VAL . . . . . 0.646 HG11 ' C ' ' A' ' 651' ' ' LYS . 2.2 p -102.63 -24.57 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 50.4 109.345 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 636' ' ' ARG . . . . . 0.975 ' O ' HD13 ' A' ' 557' ' ' ILE . 0.1 OUTLIER -83.13 -14.31 53.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 73.4 110.305 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 2.0 m -98.3 -12.21 21.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 62.44 110.036 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 638' ' ' MET . . . . . 0.43 ' HA ' ' O ' ' A' ' 555' ' ' LEU . 32.6 mmt -115.3 126.71 54.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 71.14 111.003 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 639' ' ' LEU . . . . . 0.823 HD21 ' HD2' ' A' ' 646' ' ' ARG . 14.7 tp -96.9 133.32 41.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 71.02 109.278 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 640' ' ' LEU . . . . . 0.521 ' N ' HD12 ' A' ' 639' ' ' LEU . 0.5 OUTLIER -95.86 107.05 19.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 75.32 109.276 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -75.19 131.94 40.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 63.01 110.31 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 642' ' ' THR . . . . . 0.913 HG21 HD12 ' A' ' 647' ' ' ILE . 7.7 p -139.9 158.81 66.77 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 54.34 110.406 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -18.4 18.88 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.524 1.802 . . . . 74.41 110.986 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -91.21 -5.56 54.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 33.53 110.325 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 124.27 129.21 3.39 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.445 1.091 . . . . 31.14 111.007 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 646' ' ' ARG . . . . . 0.823 ' HD2' HD21 ' A' ' 639' ' ' LEU . 19.1 mtm180 -39.06 156.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 0.783 . . . . 74.21 110.341 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 647' ' ' ILE . . . . . 0.913 HD12 HG21 ' A' ' 642' ' ' THR . 24.5 mt -138.54 123.54 22.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.143 . . . . 53.14 109.282 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 648' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.04 109.19 13.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 72.14 110.282 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 649' ' ' ALA . . . . . . . . . . . . . . . -110.88 177.9 4.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 61.24 109.356 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 650' ' ' LYS . . . . . 0.501 ' C ' ' CG1' ' A' ' 635' ' ' VAL . 8.5 mmtp -111.88 -16.95 13.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 62.45 109.321 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 651' ' ' LYS . . . . . 0.646 ' C ' HG11 ' A' ' 635' ' ' VAL . 20.6 mmmt -126.24 143.57 51.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 64.43 109.28 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 652' ' ' TRP . . . . . 0.648 ' CE3' ' CG ' ' A' ' 577' ' ' HIS . 65.1 m95 -67.2 -11.98 58.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 65.54 108.024 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 3.6 m -66.71 -10.09 43.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 71.13 109.995 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 654' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 655' ' ' VAL . 14.3 mmt180 -101.07 -27.98 12.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 60.43 110.327 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 655' ' ' VAL . . . . . 0.797 HG13 ' CD2' ' A' ' 657' ' ' PHE . 2.3 t -40.21 117.76 1.36 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 61.01 109.279 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 656' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -40.52 0.87 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.502 1.79 . . . . 73.44 110.974 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 657' ' ' PHE . . . . . 1.035 ' CE1' HG22 ' A' ' 659' ' ' VAL . 26.4 p90 -70.48 150.95 45.64 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.103 . . . . 71.32 110.984 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -80.02 140.43 36.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 54.31 109.961 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 659' ' ' VAL . . . . . 1.035 HG22 ' CE1' ' A' ' 657' ' ' PHE . 2.0 t -121.66 95.67 47.84 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 75.02 109.262 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 660' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 148.65 35.52 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.463 1.77 . . . . 72.53 110.95 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 661' ' ' ASP . . . . . 0.418 ' HA ' ' O ' ' A' ' 571' ' ' LYS . 0.7 OUTLIER -65.11 143.85 57.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 53.02 109.299 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 662' ' ' PHE . . . . . 0.642 ' CE1' HD21 ' A' ' 630' ' ' LEU . 73.0 t80 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 74.22 110.989 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 546' ' ' GLN . . . . . 0.583 ' C ' ' CD1' ' A' ' 547' ' ' PHE . 8.7 mt-30 . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 110.332 -0.247 . . . . 64.51 110.332 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 547' ' ' PHE . . . . . 0.583 ' CD1' ' C ' ' A' ' 546' ' ' GLN . 69.2 m-85 -160.15 94.83 1.58 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 65.21 110.982 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 548' ' ' PRO . . . . . 0.452 ' HB2' ' CG ' ' A' ' 550' ' ' GLU . 18.1 Cg_endo -75.04 134.89 18.3 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.452 1.764 . . . . 63.24 110.98 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 549' ' ' VAL . . . . . 0.503 HG12 ' HB2' ' A' ' 657' ' ' PHE . 18.3 m -48.01 -42.04 10.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 43.45 109.284 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 550' ' ' GLU . . . . . 0.452 ' CG ' ' HB2' ' A' ' 548' ' ' PRO . 3.3 pt-20 -54.71 -35.57 63.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.087 . . . . 75.01 110.308 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 17.6 m170 -81.82 -17.6 46.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 72.2 109.578 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 552' ' ' VAL . . . . . 0.764 HG21 ' HB3' ' A' ' 657' ' ' PHE . 85.9 t -96.19 130.47 44.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 44.21 109.298 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -118.67 139.59 51.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 61.3 110.328 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 554' ' ' LEU . . . . . 1.08 HD11 HD23 ' A' ' 569' ' ' LEU . 2.3 mt -81.83 114.73 20.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 64.43 109.252 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 555' ' ' LEU . . . . . 0.567 HD23 ' HB2' ' A' ' 562' ' ' ALA . 0.2 OUTLIER -133.93 179.77 6.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 73.14 109.29 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 556' ' ' CYS . . . . . 0.543 ' O ' ' N ' ' A' ' 560' ' ' MET . 4.4 t -106.42 101.98 11.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 114.982 -1.008 . . . . 71.24 110.928 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 557' ' ' ILE . . . . . 0.59 HD13 ' O ' ' A' ' 636' ' ' ARG . 1.2 pt -34.15 -35.15 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 70.42 109.296 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 558' ' ' ASN . . . . . 0.511 ' N ' ' O ' ' A' ' 556' ' ' CYS . 3.0 m-20 -74.42 -63.42 1.24 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 71.14 109.311 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 559' ' ' CYS . . . . . 1.073 ' CB ' ' SG ' ' A' ' 615' ' ' CYS . 2.1 m -76.26 -68.06 0.62 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 64.5 108.276 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 560' ' ' MET . . . . . 0.543 ' N ' ' O ' ' A' ' 556' ' ' CYS . 24.7 mtm 77.11 44.48 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 72.25 110.973 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 561' ' ' VAL . . . . . 0.694 ' O ' ' HB3' ' A' ' 562' ' ' ALA . 1.0 OUTLIER -109.56 -0.14 9.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 71.34 109.322 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 562' ' ' ALA . . . . . 0.694 ' HB3' ' O ' ' A' ' 561' ' ' VAL . . . 83.62 106.72 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 70.1 109.335 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 563' ' ' VAL . . . . . 0.607 HG12 ' CD1' ' A' ' 587' ' ' TYR . 0.9 OUTLIER -104.48 -8.55 9.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 73.14 109.289 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -178.05 -163.04 28.99 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.474 1.109 . . . . 21.13 111.006 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 565' ' ' HIS . . . . . . . . . . . . . 45.0 m80 -121.76 140.84 51.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 0.749 . . . . 61.11 109.558 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . -70.81 -4.65 54.94 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.515 1.134 . . . . 74.13 111.03 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 567' ' ' SER . . . . . 0.419 ' CB ' HG23 ' A' ' 549' ' ' VAL . 42.9 p -115.92 10.79 15.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 0.771 . . . . 71.03 109.959 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -114.22 -11.95 12.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 64.13 109.324 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 569' ' ' LEU . . . . . 1.08 HD23 HD11 ' A' ' 554' ' ' LEU . 0.2 OUTLIER -87.6 158.14 18.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 61.45 109.262 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 570' ' ' ARG . . . . . 0.462 ' O ' ' CG2' ' A' ' 578' ' ' VAL . 6.3 mtp180 -156.8 137.12 12.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 74.32 110.333 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 571' ' ' LYS . . . . . 0.478 ' CD ' ' HA2' ' A' ' 574' ' ' GLY . 11.3 ptpt -78.11 158.78 28.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 63.02 109.312 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 572' ' ' VAL . . . . . 0.804 HG12 ' HG2' ' A' ' 573' ' ' GLU . 3.0 t -97.48 132.55 41.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 71.04 109.305 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 573' ' ' GLU . . . . . 0.804 ' HG2' HG12 ' A' ' 572' ' ' VAL . 16.2 pt-20 37.63 43.83 0.48 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 75.31 110.301 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 574' ' ' GLY . . . . . 0.478 ' HA2' ' CD ' ' A' ' 571' ' ' LYS . . . 42.3 54.03 4.76 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.492 1.12 . . . . 62.54 111.007 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 575' ' ' THR . . . . . 0.529 HG22 ' N ' ' A' ' 576' ' ' HIS . 1.1 m -133.75 -78.68 0.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 0.749 . . . . 74.25 110.421 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 576' ' ' HIS . . . . . 0.529 ' N ' HG22 ' A' ' 575' ' ' THR . 0.2 OUTLIER -101.02 151.69 21.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 54.24 109.581 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 577' ' ' HIS . . . . . 0.716 ' CE1' ' CB ' ' A' ' 652' ' ' TRP . 28.7 m80 -89.39 130.23 35.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 73.02 109.606 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 578' ' ' VAL . . . . . 0.751 HG21 HG23 ' A' ' 572' ' ' VAL . 19.5 m -137.91 112.16 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 75.14 109.291 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 579' ' ' ASN . . . . . 0.645 ' ND2' ' CE1' ' A' ' 584' ' ' PHE . 8.8 t30 -80.7 110.2 15.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 74.55 109.272 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 580' ' ' VAL . . . . . 0.927 HG22 HD22 ' A' ' 630' ' ' LEU . 2.4 t -85.7 138.25 19.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 54.45 109.299 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 581' ' ' ASN . . . . . 0.472 ' CB ' ' HB2' ' A' ' 584' ' ' PHE . 1.2 m120 178.82 130.34 0.22 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 75.11 109.336 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 582' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -35.0 3.36 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.45 1.763 . . . . 74.04 110.988 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 583' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -78.54 -1.68 35.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 72.34 109.351 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 584' ' ' PHE . . . . . 0.645 ' CE1' ' ND2' ' A' ' 579' ' ' ASN . 2.1 t80 -71.47 -31.87 67.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 72.31 111.045 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 585' ' ' SER . . . . . 0.513 ' HA ' ' CE2' ' A' ' 588' ' ' TYR . 13.2 t -59.12 -23.8 62.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 75.11 109.99 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -87.35 -15.76 37.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.153 . . . . 73.21 109.296 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 587' ' ' TYR . . . . . 0.607 ' CD1' HG12 ' A' ' 563' ' ' VAL . 5.0 m-85 -94.32 4.14 54.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 71.32 111.0 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 588' ' ' TYR . . . . . 0.662 ' HE1' HG23 ' A' ' 590' ' ' VAL . 2.5 p90 -163.75 164.91 23.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 74.41 111.003 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 589' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -133.13 119.04 19.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 74.43 109.264 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 590' ' ' VAL . . . . . 0.662 HG23 ' HE1' ' A' ' 588' ' ' TYR . 8.9 t -72.67 153.86 7.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 74.34 109.294 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 99.1 p . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 75.52 110.022 179.973 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 604' ' ' TRP . . . . . 0.608 ' CZ2' ' SD ' ' A' ' 623' ' ' MET . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 107.956 -1.127 . . . . 72.55 107.956 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 605' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.06 154.67 58.22 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 72.42 109.314 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 606' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 137.91 22.47 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.515 1.797 . . . . 74.44 110.969 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 607' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 622' ' ' GLN . . . -102.57 -123.07 5.19 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.517 1.136 . . . . 45.41 111.005 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 608' ' ' GLY . . . . . 0.402 ' O ' ' N ' ' A' ' 622' ' ' GLN . . . -143.48 155.74 26.23 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.992 -0.843 . . . . 52.32 110.992 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 609' ' ' VAL . . . . . 0.407 ' HA ' ' O ' ' A' ' 620' ' ' GLY . 19.2 t -53.77 135.6 15.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 0.747 . . . . 75.21 109.315 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 610' ' ' ILE . . . . . 0.514 HG23 ' CD1' ' A' ' 588' ' ' TYR . 0.8 OUTLIER -111.64 147.99 15.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 73.01 109.332 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 42.1 t -144.58 132.45 21.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 71.31 110.005 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 612' ' ' CYS . . . . . 0.407 ' O ' ' N ' ' A' ' 616' ' ' GLY . 14.6 t -58.51 115.24 2.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 72.0 108.326 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 9.0 ttt-85 -65.49 -31.88 73.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 62.24 110.29 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 614' ' ' ASN . . . . . 0.424 ' ND2' HG21 ' A' ' 561' ' ' VAL . 3.4 m120 -58.93 -46.73 87.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 71.3 109.348 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 615' ' ' CYS . . . . . 1.073 ' SG ' ' CB ' ' A' ' 559' ' ' CYS . 0.0 OUTLIER -118.62 -76.46 0.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 51.1 108.276 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 616' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 142.27 44.7 0.05 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.513 1.133 . . . . 35.31 110.971 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -97.02 102.53 14.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 0.771 . . . . 64.14 110.295 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 54.4 t -49.31 97.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 72.11 109.291 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 619' ' ' TRP . . . . . 0.76 ' CE2' ' HE3' ' A' ' 638' ' ' MET . 43.3 m0 -63.72 -47.1 82.44 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.958 -1.127 . . . . 73.44 107.958 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 620' ' ' GLY . . . . . 0.407 ' O ' ' HA ' ' A' ' 609' ' ' VAL . . . 169.22 -100.22 0.16 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.532 1.145 . . . . 65.23 111.002 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 621' ' ' LEU . . . . . 0.759 ' C ' HD23 ' A' ' 621' ' ' LEU . 0.0 OUTLIER -158.83 169.06 25.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 0.755 . . . . 52.2 109.284 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 622' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 607' ' ' GLY . 0.2 OUTLIER -96.11 161.55 13.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 75.45 110.278 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 623' ' ' MET . . . . . 0.608 ' SD ' ' CZ2' ' A' ' 604' ' ' TRP . 11.6 mtp -148.5 122.23 9.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 75.14 111.031 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 624' ' ' ILE . . . . . . . . . . . . . 4.8 mp -97.97 144.39 11.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 75.31 109.302 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 625' ' ' TYR . . . . . 0.441 ' CD1' ' HG2' ' A' ' 626' ' ' LYS . 15.4 t80 -150.83 108.95 3.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 75.12 110.951 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 626' ' ' LYS . . . . . 0.495 ' O ' ' CB ' ' A' ' 627' ' ' SER . 0.0 OUTLIER 67.74 20.34 9.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 71.1 109.314 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 627' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.3 p 85.6 39.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 65.23 110.036 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 628' ' ' VAL . . . . . 0.781 HG12 ' HG ' ' A' ' 630' ' ' LEU . 51.4 t -129.43 109.91 19.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 64.4 109.295 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 2.7 mmmm -68.84 99.62 1.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 70.15 109.346 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 630' ' ' LEU . . . . . 0.927 HD22 HG22 ' A' ' 580' ' ' VAL . 55.8 mt -117.68 111.62 39.4 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 75.02 109.266 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 631' ' ' PRO . . . . . 0.599 ' O ' HG12 ' A' ' 578' ' ' VAL . 18.4 Cg_endo -75.0 164.78 32.67 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.5 1.79 . . . . 74.42 111.001 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 632' ' ' VAL . . . . . 0.75 HG22 HG12 ' A' ' 578' ' ' VAL . 24.5 t -129.81 92.11 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 62.32 109.254 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 633' ' ' LEU . . . . . 0.837 ' N ' HD13 ' A' ' 633' ' ' LEU . 0.0 OUTLIER -95.49 171.47 8.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 72.54 109.31 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 7.9 mtmm -99.77 -169.86 1.81 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 73.44 109.329 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 635' ' ' VAL . . . . . 0.562 HG22 ' O ' ' A' ' 649' ' ' ALA . 1.3 p -107.99 -20.66 6.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 64.13 109.314 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 636' ' ' ARG . . . . . 0.59 ' O ' HD13 ' A' ' 557' ' ' ILE . 9.1 ptp180 -92.72 2.06 56.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 71.43 110.322 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 3.2 p -111.56 -20.04 12.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 73.5 109.974 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 638' ' ' MET . . . . . 0.76 ' HE3' ' CE2' ' A' ' 619' ' ' TRP . 35.1 mmt -105.67 146.89 29.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 53.12 111.006 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 639' ' ' LEU . . . . . 0.799 HD21 ' HD2' ' A' ' 646' ' ' ARG . 18.9 tp -107.24 153.26 22.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 72.04 109.276 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 640' ' ' LEU . . . . . 0.624 ' HB3' HG13 ' A' ' 552' ' ' VAL . 6.1 mt -121.22 99.68 6.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 74.05 109.283 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -73.74 120.63 19.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 72.15 110.272 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 642' ' ' THR . . . . . 0.865 HG21 HD12 ' A' ' 647' ' ' ILE . 0.1 OUTLIER -130.56 160.09 67.81 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 74.02 110.412 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 1.06 8.14 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.467 1.772 . . . . 63.13 111.037 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -112.11 -1.56 15.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 75.11 110.295 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 118.91 141.83 6.68 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.487 1.117 . . . . 75.5 111.016 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 646' ' ' ARG . . . . . 0.799 ' HD2' HD21 ' A' ' 639' ' ' LEU . 22.8 mtm-85 -49.71 150.97 1.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 0.748 . . . . 74.51 110.308 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 647' ' ' ILE . . . . . 0.865 HD12 HG21 ' A' ' 642' ' ' THR . 36.0 mt -137.36 129.78 42.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 71.34 109.298 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 648' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -125.81 110.7 14.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 72.32 110.297 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 649' ' ' ALA . . . . . 0.562 ' O ' HG22 ' A' ' 635' ' ' VAL . . . -110.65 166.77 10.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 64.14 109.33 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 650' ' ' LYS . . . . . 0.43 ' C ' HG13 ' A' ' 635' ' ' VAL . 24.9 mttp -115.01 -0.37 13.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 75.12 109.296 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 651' ' ' LYS . . . . . 0.403 ' CA ' HG11 ' A' ' 635' ' ' VAL . 16.7 mtpt -137.99 128.73 26.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 72.51 109.337 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 652' ' ' TRP . . . . . 0.716 ' CB ' ' CE1' ' A' ' 577' ' ' HIS . 64.3 m95 -64.41 -24.27 67.57 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.975 -1.121 . . . . 75.5 107.975 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 74.6 m -64.61 -15.32 60.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 73.22 110.003 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 654' ' ' ARG . . . . . . . . . . . . . 5.8 mmt180 -103.75 -25.83 12.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 63.03 110.322 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 655' ' ' VAL . . . . . 0.68 HG13 ' CD2' ' A' ' 657' ' ' PHE . 2.1 t -42.02 134.81 2.36 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 61.04 109.301 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 656' ' ' PRO . . . . . 0.542 ' HD2' HD13 ' A' ' 640' ' ' LEU . 18.3 Cg_endo -74.99 -56.3 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.487 1.783 . . . . 74.3 110.984 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 657' ' ' PHE . . . . . 0.904 ' CE1' HG22 ' A' ' 659' ' ' VAL . 19.2 p90 -59.86 149.1 32.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.144 . . . . 71.14 110.928 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 658' ' ' SER . . . . . 0.403 ' O ' HG11 ' A' ' 549' ' ' VAL . 36.5 m -84.37 146.78 27.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 70.41 109.989 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 659' ' ' VAL . . . . . 0.904 HG22 ' CE1' ' A' ' 657' ' ' PHE . 1.5 t -123.58 103.56 34.69 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 63.42 109.339 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 660' ' ' PRO . . . . . 0.407 ' O ' ' HA ' ' A' ' 570' ' ' ARG . 18.4 Cg_endo -75.02 150.98 38.87 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.49 1.784 . . . . 73.42 111.026 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 661' ' ' ASP . . . . . 0.402 ' HA ' ' O ' ' A' ' 571' ' ' LYS . 5.2 p30 -77.5 164.53 25.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 51.21 109.28 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 662' ' ' PHE . . . . . 0.464 ' N ' ' O ' ' A' ' 571' ' ' LYS . 39.9 t80 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 74.23 111.031 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.976 -0.849 . . . . 64.01 110.976 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -166.02 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.511 1.795 . . . . 71.24 110.992 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 544' ' ' HIS . . . . . 0.44 ' O ' ' N ' ' A' ' 546' ' ' GLN . 9.5 m80 64.09 55.72 1.49 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 75.44 109.563 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 545' ' ' MET . . . . . 0.403 ' C ' ' O ' ' A' ' 544' ' ' HIS . 0.0 OUTLIER -37.8 95.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 54.31 111.004 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 546' ' ' GLN . . . . . 0.604 ' C ' ' CD1' ' A' ' 547' ' ' PHE . 5.4 pt20 -114.85 130.18 56.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 62.12 110.285 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 547' ' ' PHE . . . . . 0.604 ' CD1' ' C ' ' A' ' 546' ' ' GLN . 22.1 m-85 -152.77 104.8 2.68 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.15 . . . . 65.3 110.966 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 548' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 145.27 31.22 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.455 1.766 . . . . 75.32 110.955 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 549' ' ' VAL . . . . . 0.479 HG12 ' HB2' ' A' ' 657' ' ' PHE . 35.1 m -54.18 -44.02 62.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 61.35 109.316 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -56.36 -21.89 27.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 74.35 110.314 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 8.6 m170 -97.38 -23.43 16.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 75.11 109.603 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 552' ' ' VAL . . . . . 0.646 HG11 ' CD1' ' A' ' 657' ' ' PHE . 38.3 t -92.68 121.71 43.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 70.14 109.269 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -109.52 144.83 37.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 75.43 110.263 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 554' ' ' LEU . . . . . 1.017 HD11 HD23 ' A' ' 569' ' ' LEU . 0.9 OUTLIER -84.66 113.17 21.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 72.22 109.332 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 555' ' ' LEU . . . . . 0.861 HD11 ' HB2' ' A' ' 641' ' ' GLU . 0.2 OUTLIER -133.41 -179.98 5.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 75.13 109.324 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 556' ' ' CYS . . . . . 0.542 ' O ' ' N ' ' A' ' 560' ' ' MET . 5.6 t -107.59 103.27 12.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 114.996 -1.002 . . . . 74.01 110.875 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 557' ' ' ILE . . . . . 1.01 HD13 ' O ' ' A' ' 636' ' ' ARG . 1.6 pt -35.58 -33.86 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 72.52 109.333 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 558' ' ' ASN . . . . . 0.489 ' N ' ' O ' ' A' ' 556' ' ' CYS . 7.5 m-20 -77.75 -61.47 1.98 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 75.43 109.328 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 559' ' ' CYS . . . . . 0.456 ' O ' ' HB2' ' A' ' 560' ' ' MET . 3.8 m -74.85 -69.36 0.47 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 72.2 108.29 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 560' ' ' MET . . . . . 0.542 ' N ' ' O ' ' A' ' 556' ' ' CYS . 26.9 mtm 76.92 49.26 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 53.11 111.004 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 561' ' ' VAL . . . . . 0.691 ' O ' ' HB3' ' A' ' 562' ' ' ALA . 1.0 OUTLIER -116.22 -1.97 9.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 72.1 109.257 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 562' ' ' ALA . . . . . 0.793 ' CA ' HD23 ' A' ' 555' ' ' LEU . . . 83.26 104.32 0.06 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.538 1.149 . . . . 60.34 109.297 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 563' ' ' VAL . . . . . 0.664 HG12 ' CD1' ' A' ' 587' ' ' TYR . 2.2 m -101.34 -6.66 9.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 74.24 109.332 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -179.08 -156.28 16.93 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.547 1.155 . . . . 71.1 110.997 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 565' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 -129.09 143.58 50.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 52.32 109.607 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . -72.62 -2.77 56.88 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.478 1.111 . . . . 72.14 111.017 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 567' ' ' SER . . . . . 0.415 ' CB ' HG23 ' A' ' 549' ' ' VAL . 20.7 p -114.32 9.5 16.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 0.797 . . . . 70.51 110.044 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 568' ' ' ASP . . . . . 0.451 ' O ' ' NH1' ' A' ' 570' ' ' ARG . 3.1 m-20 -114.08 -10.79 12.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 73.04 109.298 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 569' ' ' LEU . . . . . 1.017 HD23 HD11 ' A' ' 554' ' ' LEU . 0.2 OUTLIER -91.75 163.42 14.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 60.0 109.315 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 570' ' ' ARG . . . . . 0.492 ' NH2' ' NE2' ' A' ' 667' ' ' HIS . 0.6 OUTLIER -147.28 179.17 7.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 74.44 110.263 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 571' ' ' LYS . . . . . 0.424 ' CG ' ' HA ' ' A' ' 661' ' ' ASP . 7.9 ptpt -115.91 158.58 22.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 64.14 109.285 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 572' ' ' VAL . . . . . 0.597 HG12 ' HG2' ' A' ' 573' ' ' GLU . 2.8 t -123.14 112.37 33.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 63.32 109.311 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 573' ' ' GLU . . . . . 0.597 ' HG2' HG12 ' A' ' 572' ' ' VAL . 9.3 pt-20 41.43 35.81 0.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 64.0 110.33 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 41.86 49.42 5.15 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.534 1.146 . . . . 73.5 110.97 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 3.2 m -119.9 -40.88 2.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 0.734 . . . . 55.12 110.375 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 9.2 m80 -158.56 128.25 5.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 71.34 109.599 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 577' ' ' HIS . . . . . 0.815 ' ND1' HG11 ' A' ' 659' ' ' VAL . 6.8 m170 -72.25 140.36 48.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 73.04 109.593 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 578' ' ' VAL . . . . . 0.784 HG12 HG22 ' A' ' 632' ' ' VAL . 5.1 m -142.26 123.05 11.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 75.3 109.266 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 579' ' ' ASN . . . . . 0.619 ' ND2' ' CE1' ' A' ' 584' ' ' PHE . 9.6 t30 -89.34 108.45 19.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 72.35 109.287 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 580' ' ' VAL . . . . . 1.018 HG22 HD22 ' A' ' 630' ' ' LEU . 3.6 t -77.77 135.72 25.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 53.22 109.279 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 581' ' ' ASN . . . . . 0.473 ' CB ' ' HB2' ' A' ' 584' ' ' PHE . 3.2 m120 179.51 129.84 0.23 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 74.2 109.304 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 582' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -35.25 3.25 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.494 1.786 . . . . 64.22 111.028 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 583' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -78.68 -1.01 32.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 62.43 109.311 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 584' ' ' PHE . . . . . 0.619 ' CE1' ' ND2' ' A' ' 579' ' ' ASN . 3.6 t80 -70.97 -31.76 68.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 75.12 111.013 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 585' ' ' SER . . . . . 0.508 ' HA ' ' CE2' ' A' ' 588' ' ' TYR . 1.5 t -57.93 -23.87 55.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 54.44 110.034 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -87.53 -17.86 31.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.153 . . . . 73.3 109.341 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 587' ' ' TYR . . . . . 0.664 ' CD1' HG12 ' A' ' 563' ' ' VAL . 5.8 m-85 -93.05 3.79 55.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 74.43 111.059 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 588' ' ' TYR . . . . . 0.716 ' HE1' HG23 ' A' ' 590' ' ' VAL . 1.3 p90 -162.87 159.3 23.63 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 74.32 110.973 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 589' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -129.67 127.69 41.05 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.538 1.149 . . . . 74.42 109.301 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 590' ' ' VAL . . . . . 0.716 HG23 ' HE1' ' A' ' 588' ' ' TYR . 14.5 t -74.44 133.85 30.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 53.21 109.288 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 30.9 t -56.06 174.57 0.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 65.32 110.017 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 28.4 mtm-85 -75.4 -58.97 2.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 73.42 110.293 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -44.93 152.95 0.52 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 74.31 109.297 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -89.64 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.508 1.794 . . . . 44.12 111.002 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 76.5 t -106.1 128.48 60.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 72.43 109.287 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 596' ' ' VAL . . . . . . . . . . . . . 2.2 t -134.74 78.6 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.432 1.083 . . . . 53.05 109.265 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 597' ' ' ILE . . . . . 0.49 ' CG2' ' N ' ' A' ' 598' ' ' ASN . 2.4 mt -143.68 163.52 15.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 62.32 109.275 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 598' ' ' ASN . . . . . 0.49 ' N ' ' CG2' ' A' ' 597' ' ' ILE . 74.1 m-80 -54.11 -61.58 2.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 44.15 109.32 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 599' ' ' LYS . . . . . 0.443 ' O ' HG22 ' A' ' 597' ' ' ILE . 1.4 pptp? -133.86 177.32 7.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 70.21 109.291 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 600' ' ' VAL . . . . . . . . . . . . . 12.4 t -106.42 152.39 8.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 70.52 109.305 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 601' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -107.39 165.52 11.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.148 . . . . 73.12 110.993 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 10.2 mptt -102.8 -56.8 2.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 75.41 109.269 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -42.11 -31.64 0.39 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 64.31 109.274 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 604' ' ' TRP . . . . . 0.407 ' CE3' ' HB3' ' A' ' 623' ' ' MET . 0.4 OUTLIER -156.74 164.44 38.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 71.23 108.04 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 605' ' ' LYS . . . . . . . . . . . . . 11.2 pttt -114.23 156.15 44.67 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.125 . . . . 63.01 109.342 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 606' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 173.11 15.08 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.524 1.802 . . . . 62.21 111.003 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 607' ' ' GLY . . . . . 0.569 ' H ' HD23 ' A' ' 621' ' ' LEU . . . -132.37 -108.41 1.13 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.499 1.124 . . . . 70.05 110.975 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 608' ' ' GLY . . . . . 0.694 ' HA3' HG13 ' A' ' 590' ' ' VAL . . . -140.61 147.58 19.24 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.034 -0.827 . . . . 72.44 111.034 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 609' ' ' VAL . . . . . 0.404 ' HA ' ' O ' ' A' ' 620' ' ' GLY . 57.9 t -53.8 125.92 9.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.515 0.774 . . . . 72.4 109.336 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 610' ' ' ILE . . . . . 0.671 HD11 ' HA ' ' A' ' 622' ' ' GLN . 0.7 OUTLIER -95.27 146.49 6.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 75.13 109.268 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 611' ' ' SER . . . . . 0.407 ' O ' ' HA ' ' A' ' 588' ' ' TYR . 0.2 OUTLIER -148.77 121.38 8.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 63.34 110.012 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 612' ' ' CYS . . . . . 0.455 ' O ' ' N ' ' A' ' 616' ' ' GLY . 32.4 t -48.35 118.58 2.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.117 . . . . 60.11 108.289 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 9.0 ttt180 -70.18 -26.25 63.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 74.45 110.288 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 614' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -66.01 -38.09 87.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 74.2 109.302 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 615' ' ' CYS . . . . . 0.423 ' SG ' ' N ' ' A' ' 559' ' ' CYS . 1.1 m -124.29 -74.03 0.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 60.24 108.324 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 616' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 148.79 -18.02 1.25 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.523 1.139 . . . . 74.12 110.994 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -42.73 102.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 0.763 . . . . 64.5 110.313 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 618' ' ' VAL . . . . . 0.444 ' O ' ' NZ ' ' A' ' 634' ' ' LYS . 24.0 t -50.46 124.8 3.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.13 . . . . 75.33 109.322 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 619' ' ' TRP . . . . . 0.647 ' CE2' ' HE3' ' A' ' 638' ' ' MET . 42.8 m0 -85.19 -39.29 18.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 72.45 108.006 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 620' ' ' GLY . . . . . 0.404 ' O ' ' HA ' ' A' ' 609' ' ' VAL . . . 159.23 -102.95 0.22 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.436 1.085 . . . . 24.54 110.978 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 621' ' ' LEU . . . . . 0.747 HD22 ' C ' ' A' ' 621' ' ' LEU . 0.0 OUTLIER -157.54 154.92 29.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 0.74 . . . . 74.22 109.303 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 622' ' ' GLN . . . . . 0.671 ' HA ' HD11 ' A' ' 610' ' ' ILE . 1.4 tt0 -85.37 135.1 34.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 73.52 110.266 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 623' ' ' MET . . . . . 0.407 ' HB3' ' CE3' ' A' ' 604' ' ' TRP . 9.6 mmt -116.31 142.04 47.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 72.32 111.036 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 624' ' ' ILE . . . . . 0.466 HD12 ' N ' ' A' ' 624' ' ' ILE . 4.8 mp -114.39 143.67 23.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 64.3 109.33 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 625' ' ' TYR . . . . . 0.421 ' O ' ' CD2' ' A' ' 625' ' ' TYR . 14.6 t80 -151.51 107.67 3.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 74.04 110.991 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 626' ' ' LYS . . . . . 0.528 ' HG2' ' CZ ' ' A' ' 664' ' ' PHE . 0.0 OUTLIER 70.19 18.92 6.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 74.52 109.296 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 627' ' ' SER . . . . . 0.486 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.2 p 85.11 40.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 62.32 110.023 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 628' ' ' VAL . . . . . 0.735 HG12 ' HG ' ' A' ' 630' ' ' LEU . 52.9 t -126.46 114.6 38.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 51.35 109.321 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 629' ' ' LYS . . . . . 0.47 ' CE ' ' OE1' ' A' ' 622' ' ' GLN . 6.1 mmmm -72.72 100.06 2.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 72.43 109.308 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 630' ' ' LEU . . . . . 1.018 HD22 HG22 ' A' ' 580' ' ' VAL . 54.8 mt -117.6 111.72 39.47 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 64.55 109.305 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 631' ' ' PRO . . . . . 0.771 ' HB2' HD11 ' A' ' 633' ' ' LEU . 18.2 Cg_endo -75.0 133.64 16.84 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.499 1.789 . . . . 72.3 110.98 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 632' ' ' VAL . . . . . 0.872 ' C ' HD13 ' A' ' 633' ' ' LEU . 38.2 t -102.22 103.72 15.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 43.55 109.303 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 633' ' ' LEU . . . . . 0.872 HD13 ' C ' ' A' ' 632' ' ' VAL . 0.0 OUTLIER -106.93 171.52 7.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 75.03 109.313 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 634' ' ' LYS . . . . . 0.444 ' NZ ' ' O ' ' A' ' 618' ' ' VAL . 11.4 mtmm -97.78 -173.75 2.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 72.12 109.302 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 635' ' ' VAL . . . . . 0.687 HG13 ' O ' ' A' ' 649' ' ' ALA . 5.6 p -106.43 -15.12 8.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 63.01 109.335 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 636' ' ' ARG . . . . . 1.01 ' O ' HD13 ' A' ' 557' ' ' ILE . 0.0 OUTLIER -91.4 -22.14 20.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 72.33 110.329 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.57 -13.68 36.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 65.42 109.995 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 638' ' ' MET . . . . . 0.647 ' HE3' ' CE2' ' A' ' 619' ' ' TRP . 33.6 mmt -108.16 147.17 31.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 72.33 110.994 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 639' ' ' LEU . . . . . 0.928 HD21 ' HD2' ' A' ' 646' ' ' ARG . 10.5 tp -112.75 140.47 47.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 73.44 109.28 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 640' ' ' LEU . . . . . 0.496 HD13 ' C ' ' A' ' 639' ' ' LEU . 0.6 OUTLIER -108.5 92.5 4.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 53.32 109.301 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 641' ' ' GLU . . . . . 0.861 ' HB2' HD11 ' A' ' 555' ' ' LEU . 4.3 mt-10 -73.57 117.15 14.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 74.2 110.281 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 642' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -128.41 159.84 65.48 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 64.13 110.403 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 2.48 6.57 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.512 1.796 . . . . 74.13 111.06 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 644' ' ' GLN . . . . . 0.444 ' NE2' ' O ' ' A' ' 546' ' ' GLN . 3.2 mt-30 -113.45 -6.26 13.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 74.32 110.332 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 127.4 145.57 6.21 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.523 1.139 . . . . 72.12 111.009 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 646' ' ' ARG . . . . . 0.928 ' HD2' HD21 ' A' ' 639' ' ' LEU . 57.2 mtm180 -63.41 153.3 35.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 0.777 . . . . 71.24 110.3 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 647' ' ' ILE . . . . . 0.436 HD11 ' CE2' ' A' ' 547' ' ' PHE . 15.8 mt -138.43 136.12 44.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 75.42 109.313 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 648' ' ' GLN . . . . . 0.402 ' C ' ' OE1' ' A' ' 648' ' ' GLN . 1.0 OUTLIER -133.13 109.13 9.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 75.23 110.284 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 649' ' ' ALA . . . . . 0.687 ' O ' HG13 ' A' ' 635' ' ' VAL . . . -107.93 164.82 11.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 44.14 109.272 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 650' ' ' LYS . . . . . 0.49 ' C ' ' CG1' ' A' ' 635' ' ' VAL . 56.4 mttt -109.39 -3.14 17.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 72.31 109.289 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 651' ' ' LYS . . . . . 0.686 ' N ' HG11 ' A' ' 635' ' ' VAL . 7.2 mmmt -142.75 131.94 23.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 62.01 109.276 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 652' ' ' TRP . . . . . 0.753 ' HA ' HG23 ' A' ' 655' ' ' VAL . 67.7 m95 -62.66 -15.55 52.68 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.995 -1.113 . . . . 72.05 107.995 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 36.7 t -67.17 -9.38 39.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 65.33 109.957 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 654' ' ' ARG . . . . . 0.408 ' O ' ' C ' ' A' ' 655' ' ' VAL . 7.0 mmt180 -114.2 -14.14 12.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.547 1.154 . . . . 73.44 110.357 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 655' ' ' VAL . . . . . 0.753 HG23 ' HA ' ' A' ' 652' ' ' TRP . 2.3 t -39.94 128.83 1.58 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 75.13 109.296 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 656' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 655' ' ' VAL . 18.2 Cg_endo -74.97 -51.85 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.482 1.78 . . . . 64.44 110.992 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 657' ' ' PHE . . . . . 0.769 ' CE2' HG22 ' A' ' 659' ' ' VAL . 54.9 p90 -67.26 164.61 17.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 75.01 110.967 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 1.1 m -88.55 147.36 24.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 75.35 110.038 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 659' ' ' VAL . . . . . 0.815 HG11 ' ND1' ' A' ' 577' ' ' HIS . 2.8 t -132.87 96.87 17.55 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 74.3 109.288 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 660' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 151.01 39.14 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.454 1.765 . . . . 74.42 111.003 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 661' ' ' ASP . . . . . 0.424 ' HA ' ' CG ' ' A' ' 571' ' ' LYS . 1.1 p30 -68.27 155.45 39.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 71.4 109.274 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 662' ' ' PHE . . . . . 0.67 ' CZ ' ' CG ' ' A' ' 667' ' ' HIS . 76.9 t80 -63.43 108.23 1.29 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 75.44 110.982 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 663' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -69.99 93.52 0.79 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 62.33 109.324 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 664' ' ' PHE . . . . . 0.528 ' CZ ' ' HG2' ' A' ' 626' ' ' LYS . 28.2 t80 -66.51 -29.24 69.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 73.35 110.969 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 59.4 mt -58.88 -42.55 89.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 65.51 109.279 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 666' ' ' GLN . . . . . 0.429 ' O ' ' N ' ' A' ' 670' ' ' GLU . 7.8 tp60 -74.45 -57.3 4.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.155 . . . . 61.33 110.292 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 667' ' ' HIS . . . . . 0.67 ' CG ' ' CZ ' ' A' ' 662' ' ' PHE . 43.4 m-70 -50.12 -32.49 16.05 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 74.11 109.634 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 668' ' ' CYS . . . . . . . . . . . . . 14.9 t -77.15 -35.27 56.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 62.41 108.248 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 669' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 666' ' ' GLN . . . -79.6 -11.45 59.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 72.3 109.268 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 670' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 666' ' ' GLN . 1.6 mm-40 -105.55 -14.09 15.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 75.35 110.308 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 671' ' ' ASN . . . . . 0.413 ' C ' HD23 ' A' ' 672' ' ' LEU . 3.1 m120 -104.98 -27.91 11.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 64.34 109.286 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 672' ' ' LEU . . . . . 0.413 HD23 ' C ' ' A' ' 671' ' ' ASN . 3.2 mt -96.78 -57.73 2.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 65.11 109.27 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 1.3 m 65.48 21.78 11.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 70.54 109.954 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -72.61 -15.12 61.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 71.41 109.294 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 675' ' ' LEU . . . . . 0.686 ' H ' HD22 ' A' ' 675' ' ' LEU . 0.3 OUTLIER -71.85 -64.73 0.87 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 71.34 109.31 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 676' ' ' SER . . . . . 0.708 ' C ' HD13 ' A' ' 677' ' ' LEU . 4.1 p -174.35 171.54 3.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 63.11 110.033 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 677' ' ' LEU . . . . . 0.708 HD13 ' C ' ' A' ' 676' ' ' SER . 0.1 OUTLIER -115.71 -48.39 2.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 54.11 109.29 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 23.7 t70 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 74.42 109.293 -179.984 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 679' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 110.996 -0.841 . . . . 62.33 110.996 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -165.16 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.479 1.778 . . . . 73.52 111.014 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 544' ' ' HIS . . . . . 0.406 ' O ' ' CE ' ' A' ' 545' ' ' MET . 7.9 m170 -90.97 166.28 13.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 64.31 109.626 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 545' ' ' MET . . . . . 0.406 ' CE ' ' O ' ' A' ' 544' ' ' HIS . 0.3 OUTLIER -110.97 74.84 0.89 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 75.11 110.967 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 546' ' ' GLN . . . . . 0.599 ' C ' ' CD1' ' A' ' 547' ' ' PHE . 24.1 mt-30 -137.94 137.26 37.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 74.33 110.315 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 547' ' ' PHE . . . . . 0.599 ' CD1' ' C ' ' A' ' 546' ' ' GLN . 0.1 OUTLIER -155.58 102.9 2.17 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 73.32 110.972 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 548' ' ' PRO . . . . . 0.448 ' HB2' ' CG ' ' A' ' 550' ' ' GLU . 18.3 Cg_endo -74.97 137.27 21.57 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.498 1.788 . . . . 52.03 110.969 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 549' ' ' VAL . . . . . 0.559 HG12 ' HB2' ' A' ' 657' ' ' PHE . 21.3 m -48.86 -40.49 12.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 72.44 109.303 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 550' ' ' GLU . . . . . 0.448 ' CG ' ' HB2' ' A' ' 548' ' ' PRO . 3.0 pt-20 -57.02 -34.82 68.56 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.481 1.113 . . . . 63.54 110.306 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 11.2 m170 -84.26 -14.8 48.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 73.33 109.584 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 552' ' ' VAL . . . . . 0.835 HG21 ' HB3' ' A' ' 657' ' ' PHE . 58.4 t -95.43 126.24 47.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 54.53 109.284 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -114.98 143.95 44.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.085 . . . . 74.5 110.277 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 554' ' ' LEU . . . . . 0.958 HD11 HD23 ' A' ' 569' ' ' LEU . 1.0 OUTLIER -85.17 115.77 23.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 52.43 109.318 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 555' ' ' LEU . . . . . 0.537 HD23 ' CA ' ' A' ' 562' ' ' ALA . 0.2 OUTLIER -134.65 -179.54 5.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.135 . . . . 52.43 109.308 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 556' ' ' CYS . . . . . 0.523 ' O ' ' N ' ' A' ' 558' ' ' ASN . 3.8 t -110.18 100.78 9.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.01 -0.995 . . . . 73.52 110.886 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 557' ' ' ILE . . . . . 0.692 HD13 ' O ' ' A' ' 636' ' ' ARG . 1.1 pt -32.21 -37.54 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 51.42 109.253 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 558' ' ' ASN . . . . . 0.523 ' N ' ' O ' ' A' ' 556' ' ' CYS . 3.3 m120 -73.74 -64.4 1.01 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 60.42 109.303 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 559' ' ' CYS . . . . . 0.476 ' O ' ' HB2' ' A' ' 560' ' ' MET . 9.9 m -73.8 -70.35 0.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 70.3 108.286 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 560' ' ' MET . . . . . 0.52 ' N ' ' O ' ' A' ' 556' ' ' CYS . 26.9 mtm 78.17 43.92 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 73.23 111.038 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 561' ' ' VAL . . . . . 0.502 ' O ' HG23 ' A' ' 561' ' ' VAL . 0.9 OUTLIER -113.06 15.62 8.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.168 . . . . 74.15 109.3 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 562' ' ' ALA . . . . . 0.537 ' CA ' HD23 ' A' ' 555' ' ' LEU . . . 65.91 108.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 64.45 109.316 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 563' ' ' VAL . . . . . 0.683 HG12 ' CD1' ' A' ' 587' ' ' TYR . 1.4 m -107.83 -6.14 10.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.471 1.107 . . . . 73.5 109.315 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -178.4 -159.31 22.72 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.528 1.142 . . . . 70.14 111.017 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 565' ' ' HIS . . . . . . . . . . . . . 68.9 m80 -127.47 144.05 51.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 0.763 . . . . 61.23 109.604 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . -70.94 -20.26 77.61 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.504 1.128 . . . . 52.45 110.972 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 19.8 t -101.54 10.78 39.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 0.771 . . . . 72.12 109.962 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -108.6 -20.93 12.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 42.11 109.277 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 569' ' ' LEU . . . . . 0.958 HD23 HD11 ' A' ' 554' ' ' LEU . 0.2 OUTLIER -83.4 166.23 18.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 71.33 109.335 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 570' ' ' ARG . . . . . 0.413 ' HA ' ' O ' ' A' ' 660' ' ' PRO . 49.9 mtt-85 -158.59 144.62 16.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 73.41 110.302 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 571' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 662' ' ' PHE . 5.0 ttpt -73.54 158.62 34.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 72.11 109.29 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 572' ' ' VAL . . . . . 0.56 HG12 ' HG2' ' A' ' 573' ' ' GLU . 2.7 t -119.11 113.7 42.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 74.41 109.267 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 573' ' ' GLU . . . . . 0.56 ' HG2' HG12 ' A' ' 572' ' ' VAL . 11.7 pt-20 46.2 30.87 1.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 71.33 110.312 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 51.78 59.4 8.67 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.528 1.142 . . . . 72.55 110.982 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 1.9 m -131.35 -71.59 0.56 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 0.798 . . . . 73.12 110.368 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -124.38 151.14 44.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 72.14 109.581 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 577' ' ' HIS . . . . . 0.663 ' CD2' ' CD2' ' A' ' 652' ' ' TRP . 48.6 m-70 -83.91 119.14 24.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.107 . . . . 75.12 109.614 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 578' ' ' VAL . . . . . 0.814 ' CG1' HG22 ' A' ' 632' ' ' VAL . 15.9 m -122.69 124.17 69.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 74.53 109.305 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 579' ' ' ASN . . . . . 0.479 ' ND2' ' CE1' ' A' ' 584' ' ' PHE . 9.4 t30 -95.6 109.04 21.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 61.42 109.312 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 580' ' ' VAL . . . . . 0.977 HG22 HD22 ' A' ' 630' ' ' LEU . 3.3 t -78.53 137.47 21.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 44.4 109.318 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 581' ' ' ASN . . . . . 0.427 ' CB ' ' HB2' ' A' ' 584' ' ' PHE . 3.2 m120 178.81 128.72 0.22 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 71.05 109.333 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 582' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -29.09 8.7 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.479 1.778 . . . . 70.33 111.008 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 583' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -83.06 -5.1 58.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 73.31 109.329 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 584' ' ' PHE . . . . . 0.52 ' O ' ' CD2' ' A' ' 588' ' ' TYR . 2.9 t80 -66.37 -34.06 77.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 75.34 110.983 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 585' ' ' SER . . . . . 0.517 ' HA ' ' CE2' ' A' ' 588' ' ' TYR . 43.4 m -58.26 -24.97 61.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 73.24 109.977 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 19.1 m-20 -87.35 -16.31 35.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 72.03 109.266 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 587' ' ' TYR . . . . . 0.683 ' CD1' HG12 ' A' ' 563' ' ' VAL . 4.8 m-85 -93.28 -1.9 55.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 73.31 111.01 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 588' ' ' TYR . . . . . 0.703 ' HE1' HG23 ' A' ' 590' ' ' VAL . 1.7 p90 -156.33 157.21 35.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 74.31 111.01 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 589' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -126.89 121.94 33.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 60.54 109.292 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 590' ' ' VAL . . . . . 0.703 HG23 ' HE1' ' A' ' 588' ' ' TYR . 7.2 t -72.58 134.79 29.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 73.2 109.287 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 10.7 t -51.36 169.43 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 73.24 110.001 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 24.7 mtt-85 -69.79 -45.95 66.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 74.44 110.296 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -59.89 159.62 19.1 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 75.2 109.276 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -89.56 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.536 1.809 . . . . 71.54 110.983 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 595' ' ' VAL . . . . . 0.453 HG11 ' HG2' ' A' ' 606' ' ' PRO . 21.4 t -110.75 132.3 59.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 75.22 109.3 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 596' ' ' VAL . . . . . . . . . . . . . 2.1 t -135.52 81.36 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 75.2 109.303 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 597' ' ' ILE . . . . . 0.75 HD11 ' HG ' ' A' ' 621' ' ' LEU . 2.9 mm -134.36 163.39 37.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 72.42 109.286 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 598' ' ' ASN . . . . . 0.451 ' N ' HG22 ' A' ' 597' ' ' ILE . 30.1 m-20 -69.48 -54.8 12.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 74.43 109.305 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 599' ' ' LYS . . . . . 0.411 ' HD3' ' N ' ' A' ' 600' ' ' VAL . 0.0 OUTLIER -125.02 174.51 7.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 73.3 109.304 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 600' ' ' VAL . . . . . 0.411 ' N ' ' HD3' ' A' ' 599' ' ' LYS . 15.3 t -115.38 151.27 17.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 61.04 109.283 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 601' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -107.17 168.15 9.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 64.24 111.022 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 602' ' ' LYS . . . . . 0.441 ' C ' ' N ' ' A' ' 604' ' ' TRP . 2.2 mmmp? -108.77 -57.97 2.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 62.1 109.279 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -40.55 -29.99 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 64.22 109.286 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 604' ' ' TRP . . . . . 0.528 ' CE3' ' HB3' ' A' ' 623' ' ' MET . 0.4 OUTLIER -156.98 162.8 39.59 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.99 -1.115 . . . . 72.11 107.99 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 605' ' ' LYS . . . . . . . . . . . . . 13.0 pttt -108.86 156.28 39.28 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.465 1.103 . . . . 73.41 109.29 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 606' ' ' PRO . . . . . 0.453 ' HG2' HG11 ' A' ' 595' ' ' VAL . 18.4 Cg_endo -74.94 176.98 9.18 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.458 1.767 . . . . 64.24 111.05 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 607' ' ' GLY . . . . . 0.553 ' H ' HD23 ' A' ' 621' ' ' LEU . . . -137.34 -104.75 0.7 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.539 1.149 . . . . 44.24 111.035 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 608' ' ' GLY . . . . . . . . . . . . . . . -144.07 145.12 14.45 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.029 -0.828 . . . . 65.12 111.029 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 609' ' ' VAL . . . . . 0.407 ' HA ' ' O ' ' A' ' 620' ' ' GLY . 88.5 t -51.09 132.19 12.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 0.774 . . . . 60.31 109.265 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 610' ' ' ILE . . . . . 0.639 HD11 ' HA ' ' A' ' 622' ' ' GLN . 0.7 OUTLIER -103.04 154.9 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 72.23 109.302 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 611' ' ' SER . . . . . 0.41 ' O ' ' HA ' ' A' ' 588' ' ' TYR . 5.8 p -157.23 143.83 18.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 74.45 110.051 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 612' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 616' ' ' GLY . 16.1 t -66.34 118.59 10.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 74.34 108.309 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -72.34 -24.07 61.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 72.32 110.317 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 614' ' ' ASN . . . . . 0.485 ' OD1' HG22 ' A' ' 561' ' ' VAL . 11.6 m120 -70.19 -32.1 69.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 73.12 109.261 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 615' ' ' CYS . . . . . 0.443 ' N ' ' SG ' ' A' ' 559' ' ' CYS . 0.7 OUTLIER -129.8 -74.33 0.55 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 65.52 108.277 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 616' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 150.99 -19.25 0.96 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.496 1.122 . . . . 33.12 111.017 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -42.5 103.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 0.766 . . . . 73.02 110.272 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 18.1 t -49.28 138.0 4.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.49 1.119 . . . . 74.51 109.314 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 619' ' ' TRP . . . . . 0.81 ' CE2' ' HE3' ' A' ' 638' ' ' MET . 47.3 m0 -101.17 -36.77 8.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 65.52 108.028 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 620' ' ' GLY . . . . . 0.407 ' O ' ' HA ' ' A' ' 609' ' ' VAL . . . 156.0 -116.12 0.7 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.532 1.145 . . . . 74.42 111.008 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 621' ' ' LEU . . . . . 0.755 HD22 ' C ' ' A' ' 621' ' ' LEU . 0.0 OUTLIER -147.33 154.67 41.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.471 0.747 . . . . 72.11 109.341 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 622' ' ' GLN . . . . . 0.639 ' HA ' HD11 ' A' ' 610' ' ' ILE . 0.9 OUTLIER -84.63 134.6 34.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 60.34 110.335 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 623' ' ' MET . . . . . 0.528 ' HB3' ' CE3' ' A' ' 604' ' ' TRP . 6.3 mmt -116.84 141.69 47.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 53.51 110.978 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 624' ' ' ILE . . . . . 0.48 HD12 ' N ' ' A' ' 624' ' ' ILE . 4.7 mp -111.54 143.62 21.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 71.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 625' ' ' TYR . . . . . 0.457 ' C ' ' CD1' ' A' ' 625' ' ' TYR . 0.4 OUTLIER -145.45 105.56 4.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 70.41 110.99 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 626' ' ' LYS . . . . . 0.528 ' HA ' ' CE ' ' A' ' 626' ' ' LYS . 0.1 OUTLIER 63.39 28.01 15.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 61.5 109.331 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 627' ' ' SER . . . . . 0.451 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.3 p 81.33 40.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 22.42 110.003 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 628' ' ' VAL . . . . . 0.804 HG12 ' HG ' ' A' ' 630' ' ' LEU . 55.3 t -125.36 115.66 44.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 53.34 109.305 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 629' ' ' LYS . . . . . 0.48 ' O ' HD23 ' A' ' 630' ' ' LEU . 11.3 mmmt -72.64 99.84 2.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 64.21 109.271 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 630' ' ' LEU . . . . . 0.977 HD22 HG22 ' A' ' 580' ' ' VAL . 53.1 mt -121.7 111.72 32.75 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 74.41 109.293 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 631' ' ' PRO . . . . . 0.666 ' O ' HG12 ' A' ' 578' ' ' VAL . 18.3 Cg_endo -74.99 157.05 43.02 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.5 1.789 . . . . 70.5 110.99 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 632' ' ' VAL . . . . . 0.814 HG22 ' CG1' ' A' ' 578' ' ' VAL . 43.0 t -123.18 98.7 5.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 54.41 109.281 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 633' ' ' LEU . . . . . 0.844 ' N ' HD13 ' A' ' 633' ' ' LEU . 0.0 OUTLIER -100.81 171.5 7.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 73.13 109.31 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 634' ' ' LYS . . . . . 0.427 ' HE3' ' CG ' ' A' ' 636' ' ' ARG . 0.9 OUTLIER -101.41 -174.83 2.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 72.33 109.291 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 635' ' ' VAL . . . . . 0.868 HG11 ' C ' ' A' ' 651' ' ' LYS . 11.4 p -106.97 -24.12 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 71.22 109.312 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 636' ' ' ARG . . . . . 0.692 ' O ' HD13 ' A' ' 557' ' ' ILE . 13.1 ptt180 -84.17 -5.56 59.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 71.51 110.348 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 30.9 t -112.47 -16.97 12.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 74.52 110.043 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 638' ' ' MET . . . . . 0.81 ' HE3' ' CE2' ' A' ' 619' ' ' TRP . 34.0 mmt -104.92 125.41 50.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 73.34 111.017 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 639' ' ' LEU . . . . . 0.827 HD12 ' H ' ' A' ' 640' ' ' LEU . 21.8 tp -88.63 149.73 23.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 70.22 109.345 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 640' ' ' LEU . . . . . 0.827 ' H ' HD12 ' A' ' 639' ' ' LEU . 11.4 mt -120.51 103.26 9.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 62.25 109.292 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -74.19 134.48 42.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 74.42 110.26 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 642' ' ' THR . . . . . 0.9 HG21 HD12 ' A' ' 647' ' ' ILE . 7.4 p -142.07 158.87 60.8 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 63.14 110.411 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -18.01 19.01 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.488 1.783 . . . . 61.43 110.97 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -91.68 -6.16 52.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 55.11 110.307 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 123.87 131.86 3.82 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.495 1.122 . . . . 34.25 110.986 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 646' ' ' ARG . . . . . 0.697 ' HD2' HD21 ' A' ' 639' ' ' LEU . 20.6 mtm-85 -39.55 155.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 0.758 . . . . 74.2 110.292 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 647' ' ' ILE . . . . . 0.9 HD12 HG21 ' A' ' 642' ' ' THR . 21.4 mt -139.08 131.06 36.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 63.01 109.337 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 648' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -134.59 112.26 10.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 73.23 110.272 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 649' ' ' ALA . . . . . 0.464 ' CB ' ' HB2' ' A' ' 654' ' ' ARG . . . -107.65 -177.77 3.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 53.53 109.338 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 22.5 mttt -110.45 -21.09 12.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 63.5 109.259 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 651' ' ' LYS . . . . . 0.868 ' C ' HG11 ' A' ' 635' ' ' VAL . 2.1 mmmm -134.12 150.04 51.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.122 . . . . 73.05 109.323 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 652' ' ' TRP . . . . . 0.726 ' N ' HG11 ' A' ' 635' ' ' VAL . 47.2 m95 -66.13 -16.38 63.91 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.963 -1.125 . . . . 75.11 107.963 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 15.5 m -64.13 -11.88 34.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 52.14 109.989 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 654' ' ' ARG . . . . . 0.464 ' HB2' ' CB ' ' A' ' 649' ' ' ALA . 8.4 mmt180 -105.79 -26.55 11.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 62.22 110.273 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 655' ' ' VAL . . . . . 0.743 HG13 ' CD2' ' A' ' 657' ' ' PHE . 2.3 t -40.25 126.4 1.72 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 63.42 109.342 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 656' ' ' PRO . . . . . 0.568 ' HD2' HD13 ' A' ' 640' ' ' LEU . 18.2 Cg_endo -75.01 -50.87 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.494 1.787 . . . . 70.22 110.99 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 657' ' ' PHE . . . . . 0.969 ' CE1' HG22 ' A' ' 659' ' ' VAL . 17.4 p90 -62.61 149.92 42.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 74.24 110.984 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -85.27 145.25 27.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 52.13 110.005 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 659' ' ' VAL . . . . . 0.969 HG22 ' CE1' ' A' ' 657' ' ' PHE . 2.0 t -119.68 98.63 49.79 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 73.42 109.279 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 660' ' ' PRO . . . . . 0.413 ' O ' ' HA ' ' A' ' 570' ' ' ARG . 18.3 Cg_endo -75.01 147.44 33.88 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.54 1.811 . . . . 75.03 111.012 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 661' ' ' ASP . . . . . 0.405 ' HA ' ' O ' ' A' ' 571' ' ' LYS . 12.0 m-20 -63.05 162.73 11.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 75.33 109.323 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 662' ' ' PHE . . . . . 0.483 ' CZ ' HG11 ' A' ' 628' ' ' VAL . 5.0 t80 -89.86 124.43 34.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 74.42 111.034 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 663' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.21 105.59 15.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 72.04 109.279 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 664' ' ' PHE . . . . . 0.498 ' O ' ' CB ' ' A' ' 668' ' ' CYS . 62.2 t80 -64.66 -25.8 68.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 75.32 111.021 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 665' ' ' LEU . . . . . 0.62 ' N ' HD23 ' A' ' 665' ' ' LEU . 2.9 mt -59.21 -52.65 64.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.456 1.097 . . . . 64.24 109.26 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 29.9 tp60 -78.25 -54.2 6.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 71.14 110.272 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 667' ' ' HIS . . . . . 0.959 ' CE1' HG11 ' A' ' 580' ' ' VAL . 2.7 t-80 -46.24 -39.35 9.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 73.45 109.597 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 668' ' ' CYS . . . . . 0.498 ' CB ' ' O ' ' A' ' 664' ' ' PHE . 45.0 t -74.23 -39.92 62.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 74.32 108.293 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 669' ' ' ALA . . . . . 0.594 ' O ' HD21 ' A' ' 675' ' ' LEU . . . -69.32 -11.57 60.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 62.42 109.272 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 670' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -115.8 -2.59 12.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 71.21 110.291 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -108.86 -15.49 14.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 62.04 109.311 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 14.8 mt -84.45 -174.96 5.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 74.11 109.298 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 1.3 p -98.31 6.78 47.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 43.51 110.008 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -60.5 -16.61 38.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.112 . . . . 71.04 109.277 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 675' ' ' LEU . . . . . 0.654 ' H ' HD22 ' A' ' 675' ' ' LEU . 0.3 OUTLIER -89.61 -64.66 1.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.135 . . . . 71.24 109.301 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 676' ' ' SER . . . . . . . . . . . . . 5.2 t -163.08 157.46 20.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 71.52 110.025 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 677' ' ' LEU . . . . . 0.61 ' N ' HD12 ' A' ' 677' ' ' LEU . 2.0 mp -85.79 -41.91 14.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 55.14 109.248 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 68.4 t0 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 73.24 109.275 -179.954 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 679' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 110.979 -0.849 . . . . 71.2 110.979 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 123.51 7.96 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.486 1.782 . . . . 72.41 111.038 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 5.2 m80 -115.38 -53.03 2.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.117 . . . . 74.42 109.625 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 545' ' ' MET . . . . . . . . . . . . . 60.9 mtp 47.77 49.94 16.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.085 . . . . 35.5 111.002 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 546' ' ' GLN . . . . . 0.538 ' C ' ' CD1' ' A' ' 547' ' ' PHE . 15.9 mt-30 -132.96 134.77 44.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 73.34 110.342 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 547' ' ' PHE . . . . . 0.637 ' CD1' ' N ' ' A' ' 547' ' ' PHE . 0.1 OUTLIER -149.33 103.33 3.31 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 53.34 111.027 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 548' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 145.64 31.73 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.442 1.759 . . . . 71.03 110.984 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 549' ' ' VAL . . . . . 0.51 HG23 ' CB ' ' A' ' 567' ' ' SER . 30.2 m -52.34 -44.05 41.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 72.52 109.281 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -53.95 -27.2 29.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 64.21 110.34 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 9.8 m170 -92.0 -22.56 19.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 63.52 109.574 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 552' ' ' VAL . . . . . 0.738 HG21 ' HB3' ' A' ' 657' ' ' PHE . 33.4 t -93.83 124.27 46.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 63.53 109.333 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -111.08 145.67 38.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 75.41 110.322 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 554' ' ' LEU . . . . . 0.963 HD11 HD23 ' A' ' 569' ' ' LEU . 1.3 mt -86.2 112.57 21.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 71.14 109.298 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 555' ' ' LEU . . . . . 0.867 HD11 ' HB2' ' A' ' 641' ' ' GLU . 0.2 OUTLIER -133.36 -179.85 5.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 72.34 109.295 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 556' ' ' CYS . . . . . 0.529 ' O ' ' N ' ' A' ' 560' ' ' MET . 5.9 t -107.8 104.11 13.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 114.989 -1.005 . . . . 64.33 110.9 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 557' ' ' ILE . . . . . 0.734 HD13 ' O ' ' A' ' 636' ' ' ARG . 1.4 pt -35.67 -33.92 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.132 . . . . 72.44 109.31 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 558' ' ' ASN . . . . . 0.488 ' N ' ' O ' ' A' ' 556' ' ' CYS . 7.9 m-20 -78.73 -61.05 2.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 71.32 109.298 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 559' ' ' CYS . . . . . 0.467 ' O ' ' HB2' ' A' ' 560' ' ' MET . 1.8 m -74.03 -70.31 0.39 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 74.4 108.324 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 560' ' ' MET . . . . . 0.529 ' N ' ' O ' ' A' ' 556' ' ' CYS . 28.4 mtm 77.31 48.35 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 70.12 111.041 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 561' ' ' VAL . . . . . 0.661 ' O ' ' HB3' ' A' ' 562' ' ' ALA . 1.0 OUTLIER -115.01 -2.71 10.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 74.32 109.279 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 562' ' ' ALA . . . . . 0.779 ' CA ' HD23 ' A' ' 555' ' ' LEU . . . 82.46 102.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 72.11 109.245 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 563' ' ' VAL . . . . . 0.628 HG12 ' CD1' ' A' ' 587' ' ' TYR . 2.3 m -99.27 -4.15 9.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 54.13 109.327 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . 177.14 -160.12 26.9 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.445 1.091 . . . . 61.11 110.991 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 565' ' ' HIS . . . . . . . . . . . . . 64.5 m80 -124.55 144.4 50.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 0.782 . . . . 73.1 109.581 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . -73.24 -2.25 58.62 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.549 1.156 . . . . 73.54 111.026 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 567' ' ' SER . . . . . 0.51 ' CB ' HG23 ' A' ' 549' ' ' VAL . 15.2 p -115.43 10.87 15.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 0.759 . . . . 44.43 110.033 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -113.85 -12.62 12.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 62.32 109.31 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 569' ' ' LEU . . . . . 0.963 HD23 HD11 ' A' ' 554' ' ' LEU . 0.1 OUTLIER -90.8 168.07 12.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 71.41 109.319 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 570' ' ' ARG . . . . . 0.418 ' CG ' ' O ' ' A' ' 569' ' ' LEU . 66.0 mtt-85 -158.82 136.81 10.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 75.25 110.28 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 571' ' ' LYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 661' ' ' ASP . 10.8 ptpt -73.31 157.66 36.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 62.41 109.299 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 572' ' ' VAL . . . . . 0.658 HG23 ' CG2' ' A' ' 578' ' ' VAL . 2.7 t -110.72 98.84 7.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 65.12 109.295 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 573' ' ' GLU . . . . . 0.473 ' CG ' ' O ' ' A' ' 572' ' ' VAL . 9.0 pt-20 46.86 24.11 0.32 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 73.2 110.277 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 574' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' A' ' 575' ' ' THR . . . 87.82 -23.36 13.84 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.485 1.116 . . . . 74.32 111.007 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 575' ' ' THR . . . . . 0.603 HG21 ' CZ2' ' A' ' 604' ' ' TRP . 52.7 m -36.23 -76.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 0.741 . . . . 72.41 110.426 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 50.2 m80 -147.99 150.56 34.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 74.2 109.58 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 577' ' ' HIS . . . . . 1.038 ' CD2' HG11 ' A' ' 659' ' ' VAL . 6.4 m80 -71.79 116.38 12.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 74.53 109.611 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 578' ' ' VAL . . . . . 0.688 HG12 ' O ' ' A' ' 631' ' ' PRO . 26.9 m -115.92 118.49 58.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 72.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 579' ' ' ASN . . . . . 0.48 ' HA ' ' CB ' ' A' ' 569' ' ' LEU . 8.9 t30 -90.52 119.9 31.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.581 1.176 . . . . 73.04 109.279 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 580' ' ' VAL . . . . . 0.918 HG22 HD22 ' A' ' 630' ' ' LEU . 2.7 t -95.9 130.79 44.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 54.51 109.292 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 581' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 176.49 141.28 0.23 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 70.01 109.312 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 582' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -46.19 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.545 1.813 . . . . 64.33 110.991 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 583' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -54.78 -19.62 6.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 71.41 109.292 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 584' ' ' PHE . . . . . 0.494 ' O ' ' CD2' ' A' ' 588' ' ' TYR . 1.8 t80 -58.99 -44.25 91.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 75.24 111.0 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 585' ' ' SER . . . . . 0.528 ' HA ' ' CE2' ' A' ' 588' ' ' TYR . 10.9 p -53.24 -25.32 13.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.454 1.097 . . . . 72.12 109.996 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -88.26 -23.32 23.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 55.14 109.307 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 587' ' ' TYR . . . . . 0.628 ' CD1' HG12 ' A' ' 563' ' ' VAL . 13.8 m-85 -88.55 6.8 36.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 75.24 110.979 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 588' ' ' TYR . . . . . 0.781 ' CD1' HG23 ' A' ' 610' ' ' ILE . 0.9 OUTLIER -165.45 158.72 16.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 73.25 110.982 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 589' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -133.11 121.01 22.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 55.43 109.276 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 590' ' ' VAL . . . . . 0.778 HG23 ' HE1' ' A' ' 588' ' ' TYR . 7.4 t -72.45 149.3 8.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 73.44 109.311 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 591' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 592' ' ' ARG . 48.0 t -64.51 141.91 58.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 72.35 109.99 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 592' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 591' ' ' SER . 0.1 OUTLIER -35.62 -57.48 0.64 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.545 1.153 . . . . 74.52 110.326 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.07 148.13 62.29 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.152 . . . . 74.45 109.328 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 -89.71 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.459 1.768 . . . . 65.51 110.977 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 69.6 t -104.92 128.89 58.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 62.2 109.311 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 596' ' ' VAL . . . . . . . . . . . . . 2.1 t -136.18 79.55 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 63.53 109.318 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 597' ' ' ILE . . . . . 0.492 ' CG2' ' N ' ' A' ' 598' ' ' ASN . 2.3 mt -142.49 163.29 18.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 74.31 109.308 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 598' ' ' ASN . . . . . 0.492 ' N ' ' CG2' ' A' ' 597' ' ' ILE . 67.5 m-20 -91.29 -64.64 1.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 61.22 109.276 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 599' ' ' LYS . . . . . 0.598 ' NZ ' ' CE2' ' A' ' 601' ' ' PHE . 1.4 tmtt? -86.92 138.39 31.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 62.35 109.298 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 600' ' ' VAL . . . . . . . . . . . . . 56.8 t -102.85 154.05 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.151 . . . . 62.03 109.291 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 601' ' ' PHE . . . . . 0.598 ' CE2' ' NZ ' ' A' ' 599' ' ' LYS . 53.4 m-85 -105.03 167.41 9.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 74.5 110.962 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 602' ' ' LYS . . . . . 0.438 ' C ' ' N ' ' A' ' 604' ' ' TRP . 12.2 tptp -108.99 -62.0 1.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 54.4 109.252 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -42.0 -28.69 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 74.53 109.253 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 604' ' ' TRP . . . . . 0.603 ' CZ2' HG21 ' A' ' 575' ' ' THR . 0.3 OUTLIER -157.22 179.41 9.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 74.45 108.021 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 605' ' ' LYS . . . . . 0.641 ' HE2' HD13 ' A' ' 624' ' ' ILE . 5.0 ptmt -121.08 151.91 55.99 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 74.4 109.299 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 606' ' ' PRO . . . . . 0.446 ' HB3' HD12 ' A' ' 597' ' ' ILE . 18.2 Cg_endo -75.0 142.5 27.92 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.468 1.773 . . . . 73.32 110.994 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 607' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 622' ' ' GLN . . . -105.74 -120.92 4.76 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.555 1.159 . . . . 70.23 111.026 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 608' ' ' GLY . . . . . 0.406 ' O ' ' HA ' ' A' ' 621' ' ' LEU . . . -139.61 151.91 22.24 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 110.972 -0.851 . . . . 64.41 110.972 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 609' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' ' 620' ' ' GLY . 50.2 t -56.33 129.72 18.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.442 0.731 . . . . 72.41 109.264 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 610' ' ' ILE . . . . . 0.781 HG23 ' CD1' ' A' ' 588' ' ' TYR . 0.8 OUTLIER -102.19 143.37 14.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 71.53 109.31 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 611' ' ' SER . . . . . 0.404 ' O ' ' HA ' ' A' ' 588' ' ' TYR . 0.7 OUTLIER -136.84 117.88 14.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 63.41 109.993 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 612' ' ' CYS . . . . . 0.455 ' O ' ' N ' ' A' ' 616' ' ' GLY . 39.7 t -49.21 118.17 2.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 61.54 108.274 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 9.2 ttt180 -67.88 -28.02 67.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 65.32 110.328 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 614' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -65.13 -39.12 92.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 63.4 109.292 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 615' ' ' CYS . . . . . 0.401 ' SG ' ' N ' ' A' ' 559' ' ' CYS . 0.2 OUTLIER -125.35 -75.02 0.59 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 73.2 108.234 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 616' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 148.53 -18.07 1.29 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.486 1.116 . . . . 63.42 111.01 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 617' ' ' GLU . . . . . 0.436 ' OE1' ' ND2' ' A' ' 558' ' ' ASN . 9.0 tp10 -42.78 102.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 0.74 . . . . 70.14 110.276 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 57.3 t -54.25 112.28 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.54 1.15 . . . . 73.24 109.316 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 619' ' ' TRP . . . . . 0.787 ' CE2' ' HE3' ' A' ' 638' ' ' MET . 42.2 m0 -71.0 -51.03 27.86 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.964 -1.124 . . . . 75.31 107.964 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 620' ' ' GLY . . . . . 0.4 ' O ' ' HA ' ' A' ' 609' ' ' VAL . . . 176.8 -99.2 0.13 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 75.33 110.983 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 621' ' ' LEU . . . . . 0.763 ' C ' HD23 ' A' ' 621' ' ' LEU . 0.0 OUTLIER -162.07 170.33 19.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 0.775 . . . . 73.45 109.289 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 622' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 607' ' ' GLY . 0.2 OUTLIER -95.71 162.99 13.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 73.51 110.311 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 623' ' ' MET . . . . . 0.636 ' C ' HD12 ' A' ' 624' ' ' ILE . 6.9 mtp -146.95 151.49 37.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 73.14 111.007 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 624' ' ' ILE . . . . . 0.769 HD12 ' N ' ' A' ' 624' ' ' ILE . 2.7 mp -120.91 132.47 70.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 75.04 109.334 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 625' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -138.56 101.04 4.25 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.545 1.153 . . . . 75.41 111.003 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 626' ' ' LYS . . . . . 0.51 ' O ' ' CB ' ' A' ' 627' ' ' SER . 0.0 OUTLIER 68.32 22.17 8.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 71.1 109.284 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 627' ' ' SER . . . . . 0.51 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.1 p 86.02 39.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 71.21 109.998 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 628' ' ' VAL . . . . . 0.681 HG12 ' CD2' ' A' ' 630' ' ' LEU . 63.0 t -126.78 116.67 45.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 65.2 109.306 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 629' ' ' LYS . . . . . 0.428 ' O ' HD23 ' A' ' 630' ' ' LEU . 7.4 mmmm -71.72 99.68 2.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 64.12 109.329 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 630' ' ' LEU . . . . . 0.918 HD22 HG22 ' A' ' 580' ' ' VAL . 44.2 mt -120.93 111.24 34.3 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 55.24 109.308 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 631' ' ' PRO . . . . . 0.688 ' O ' HG12 ' A' ' 578' ' ' VAL . 18.2 Cg_endo -75.0 166.25 29.6 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.502 1.791 . . . . 75.44 111.008 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 632' ' ' VAL . . . . . 0.759 ' C ' HD13 ' A' ' 633' ' ' LEU . 69.7 t -128.97 93.01 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 51.22 109.278 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 633' ' ' LEU . . . . . 0.828 ' N ' HD13 ' A' ' 633' ' ' LEU . 0.0 OUTLIER -99.75 171.64 7.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 74.12 109.331 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 634' ' ' LYS . . . . . 0.418 ' C ' ' CZ2' ' A' ' 652' ' ' TRP . 6.9 mtmm -105.82 -177.39 3.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 70.55 109.302 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 635' ' ' VAL . . . . . 0.84 HG11 ' C ' ' A' ' 651' ' ' LYS . 7.9 p -103.08 -14.83 8.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 60.12 109.294 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 636' ' ' ARG . . . . . 0.734 ' O ' HD13 ' A' ' 557' ' ' ILE . 13.5 ptt180 -90.21 -5.57 56.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 72.35 110.291 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 1.4 t -112.49 -13.99 13.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 75.43 110.001 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 638' ' ' MET . . . . . 0.787 ' HE3' ' CE2' ' A' ' 619' ' ' TRP . 33.1 mmt -108.61 131.73 54.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 73.42 110.989 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 639' ' ' LEU . . . . . 0.921 HD21 ' HD2' ' A' ' 646' ' ' ARG . 13.3 tp -96.74 142.65 28.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 43.33 109.312 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 640' ' ' LEU . . . . . 0.492 HD13 ' C ' ' A' ' 639' ' ' LEU . 0.8 OUTLIER -110.27 93.44 4.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 74.52 109.325 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 641' ' ' GLU . . . . . 0.867 ' HB2' HD11 ' A' ' 555' ' ' LEU . 5.6 mt-10 -74.58 119.16 18.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 73.22 110.313 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 642' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -129.36 159.66 68.08 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 71.25 110.416 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 2.35 6.74 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.479 1.778 . . . . 44.11 111.008 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -110.96 -6.77 14.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 74.11 110.311 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 126.26 139.38 5.06 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.523 1.139 . . . . 72.31 110.974 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 646' ' ' ARG . . . . . 0.921 ' HD2' HD21 ' A' ' 639' ' ' LEU . 15.4 mtm105 -56.3 151.65 12.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 0.739 . . . . 74.24 110.288 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 647' ' ' ILE . . . . . . . . . . . . . 18.7 mt -138.11 128.14 35.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 63.12 109.324 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 648' ' ' GLN . . . . . 0.727 ' OE1' HD12 ' A' ' 557' ' ' ILE . 0.1 OUTLIER -121.13 95.44 4.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 54.01 110.271 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 649' ' ' ALA . . . . . . . . . . . . . . . -92.95 160.73 14.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 62.34 109.321 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 650' ' ' LYS . . . . . 0.494 ' C ' ' CG1' ' A' ' 635' ' ' VAL . 10.1 mmtp -99.67 -28.55 13.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 74.05 109.264 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 651' ' ' LYS . . . . . 0.84 ' C ' HG11 ' A' ' 635' ' ' VAL . 19.5 mmmt -125.55 144.98 50.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 74.34 109.312 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 652' ' ' TRP . . . . . 0.793 ' HA ' HG23 ' A' ' 655' ' ' VAL . 35.7 m95 -67.32 -11.89 58.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 73.05 108.0 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 3.0 m -66.42 -10.07 40.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 62.3 110.014 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 654' ' ' ARG . . . . . 0.403 ' NH1' ' HB2' ' A' ' 651' ' ' LYS . 7.8 mmt-85 -114.27 -14.38 12.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.121 . . . . 71.25 110.292 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 655' ' ' VAL . . . . . 0.793 HG23 ' HA ' ' A' ' 652' ' ' TRP . 2.4 t -40.26 125.66 1.73 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.442 1.089 . . . . 64.34 109.289 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 656' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 655' ' ' VAL . 18.5 Cg_endo -75.03 -49.71 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.466 1.771 . . . . 74.5 111.0 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 657' ' ' PHE . . . . . 0.795 ' CE2' HG22 ' A' ' 659' ' ' VAL . 50.8 p90 -68.06 160.78 28.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 73.42 110.992 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 658' ' ' SER . . . . . 0.419 ' O ' ' CG1' ' A' ' 549' ' ' VAL . 9.8 m -88.44 149.54 23.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 33.3 110.04 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 659' ' ' VAL . . . . . 1.038 HG11 ' CD2' ' A' ' 577' ' ' HIS . 2.1 t -135.98 96.85 12.71 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 65.44 109.274 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 660' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 147.48 34.11 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.45 1.763 . . . . 72.12 111.013 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 661' ' ' ASP . . . . . 0.401 ' HA ' ' O ' ' A' ' 571' ' ' LYS . 19.6 p-10 -56.95 151.29 15.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 71.11 109.249 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 662' ' ' PHE . . . . . 0.667 ' CZ ' HG11 ' A' ' 628' ' ' VAL . 51.4 t80 -52.22 118.35 3.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 75.51 111.006 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 663' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -74.07 80.85 1.73 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 73.41 109.321 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 664' ' ' PHE . . . . . 0.432 ' O ' ' CB ' ' A' ' 668' ' ' CYS . 5.3 t80 -63.19 -31.5 72.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.443 1.09 . . . . 62.51 110.996 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 665' ' ' LEU . . . . . 0.444 ' O ' ' HB2' ' A' ' 669' ' ' ALA . 10.1 mt -64.74 -37.26 86.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 73.55 109.285 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 666' ' ' GLN . . . . . 0.405 ' O ' ' N ' ' A' ' 669' ' ' ALA . 14.9 tt0 -79.75 -61.07 2.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 73.5 110.321 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 667' ' ' HIS . . . . . 0.522 ' ND1' ' CE1' ' A' ' 662' ' ' PHE . 54.9 m80 -47.5 -45.53 26.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 75.25 109.588 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 668' ' ' CYS . . . . . 0.432 ' CB ' ' O ' ' A' ' 664' ' ' PHE . 34.8 t -66.91 -35.05 79.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 62.22 108.3 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 669' ' ' ALA . . . . . 0.444 ' HB2' ' O ' ' A' ' 665' ' ' LEU . . . -73.61 -11.62 60.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 54.51 109.3 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 670' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -115.78 -2.25 12.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 74.41 110.261 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 671' ' ' ASN . . . . . 0.434 ' ND2' ' O ' ' A' ' 667' ' ' HIS . 1.5 m-80 -106.98 -18.99 13.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 72.33 109.279 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 11.7 mt -95.53 -175.17 3.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 72.05 109.284 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 673' ' ' SER . . . . . 0.46 ' HB3' ' CD1' ' A' ' 677' ' ' LEU . 4.3 m -122.89 8.83 9.36 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 74.02 109.989 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -62.7 -15.64 53.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 51.24 109.316 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 675' ' ' LEU . . . . . 0.641 HD22 ' N ' ' A' ' 675' ' ' LEU . 1.6 mm? -87.03 -62.02 1.6 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 75.1 109.268 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 676' ' ' SER . . . . . 0.729 ' C ' HD13 ' A' ' 677' ' ' LEU . 4.9 p -169.94 175.77 5.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 75.14 110.005 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 677' ' ' LEU . . . . . 0.729 HD13 ' C ' ' A' ' 676' ' ' SER . 0.1 OUTLIER -114.82 -39.29 3.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 74.21 109.291 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 41.8 t0 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 61.14 109.343 -179.995 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 679' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 N-CA-C 111.034 -0.826 . . . . 61.32 111.034 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 123.38 7.86 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.477 1.777 . . . . 73.5 111.034 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -91.78 164.66 13.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 71.24 109.594 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 545' ' ' MET . . . . . . . . . . . . . 8.6 mtp -101.49 68.06 1.17 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 74.43 110.992 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 546' ' ' GLN . . . . . 0.522 ' C ' ' CD1' ' A' ' 547' ' ' PHE . 19.4 mt-30 -125.06 140.95 52.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 62.24 110.349 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 547' ' ' PHE . . . . . 0.624 ' CD1' ' N ' ' A' ' 547' ' ' PHE . 0.1 OUTLIER -149.32 102.47 3.31 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 73.44 111.007 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 548' ' ' PRO . . . . . 0.439 ' HB2' ' CG ' ' A' ' 550' ' ' GLU . 18.3 Cg_endo -74.98 137.63 22.0 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.505 1.792 . . . . 53.0 110.996 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 549' ' ' VAL . . . . . 0.485 HG23 ' CB ' ' A' ' 567' ' ' SER . 35.6 m -48.46 -40.31 10.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 60.33 109.267 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 550' ' ' GLU . . . . . 0.439 ' CG ' ' HB2' ' A' ' 548' ' ' PRO . 2.1 pt-20 -57.53 -35.04 69.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 73.54 110.304 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 10.4 m170 -82.69 -16.71 47.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 74.43 109.609 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 552' ' ' VAL . . . . . 0.838 HG21 ' HB3' ' A' ' 657' ' ' PHE . 77.5 t -94.49 128.11 45.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 73.1 109.321 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 553' ' ' GLN . . . . . 0.483 ' O ' HD12 ' A' ' 555' ' ' LEU . 10.3 tt0 -117.65 142.43 47.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 73.4 110.315 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 554' ' ' LEU . . . . . 1.017 HD11 HD23 ' A' ' 569' ' ' LEU . 1.2 mt -83.89 114.05 21.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 62.32 109.288 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 555' ' ' LEU . . . . . 0.554 HD23 ' HB2' ' A' ' 562' ' ' ALA . 0.2 OUTLIER -135.89 177.06 8.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 74.42 109.286 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 556' ' ' CYS . . . . . 0.52 ' O ' ' N ' ' A' ' 560' ' ' MET . 5.8 t -101.88 105.1 15.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.002 -0.999 . . . . 44.1 110.912 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 557' ' ' ILE . . . . . 0.535 HD13 ' O ' ' A' ' 636' ' ' ARG . 0.8 OUTLIER -34.4 -35.62 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 75.4 109.296 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 558' ' ' ASN . . . . . 0.488 ' N ' ' O ' ' A' ' 556' ' ' CYS . 8.0 m-20 -79.45 -61.67 1.93 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 74.4 109.321 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 559' ' ' CYS . . . . . 0.472 ' O ' ' HB2' ' A' ' 560' ' ' MET . 1.9 m -71.01 -71.61 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.093 . . . . 62.0 108.323 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 560' ' ' MET . . . . . 0.52 ' N ' ' O ' ' A' ' 556' ' ' CYS . 30.8 mtm 77.36 42.15 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 70.22 110.997 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 561' ' ' VAL . . . . . 0.674 ' O ' ' HB3' ' A' ' 562' ' ' ALA . 1.0 OUTLIER -107.14 -3.68 10.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.559 1.162 . . . . 62.01 109.329 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 562' ' ' ALA . . . . . 0.674 ' HB3' ' O ' ' A' ' 561' ' ' VAL . . . 84.09 100.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 50.3 109.255 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 563' ' ' VAL . . . . . 0.582 HG12 ' CD1' ' A' ' 587' ' ' TYR . 2.0 m -99.02 -4.86 9.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 71.41 109.305 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . 179.91 -161.0 26.45 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.467 1.104 . . . . 61.33 111.012 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 565' ' ' HIS . . . . . 0.43 ' NE2' ' OE1' ' A' ' 553' ' ' GLN . 49.9 m80 -125.76 145.43 50.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 0.77 . . . . 74.31 109.636 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 566' ' ' GLY . . . . . 0.572 ' O ' HD11 ' A' ' 569' ' ' LEU . . . -73.62 -14.95 79.41 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.484 1.115 . . . . 64.2 111.002 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 567' ' ' SER . . . . . 0.485 ' CB ' HG23 ' A' ' 549' ' ' VAL . 18.5 p -105.01 8.39 34.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 0.74 . . . . 60.22 110.017 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -109.05 -21.01 12.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 75.24 109.316 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 569' ' ' LEU . . . . . 1.017 HD23 HD11 ' A' ' 554' ' ' LEU . 0.2 OUTLIER -81.88 155.45 25.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 71.32 109.278 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 570' ' ' ARG . . . . . 0.487 ' CZ ' ' NE2' ' A' ' 667' ' ' HIS . 30.2 mtm180 -147.73 144.64 28.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 75.01 110.307 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 571' ' ' LYS . . . . . 0.618 ' HE2' ' CD2' ' A' ' 577' ' ' HIS . 19.2 ttmt -73.36 158.25 35.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 73.44 109.295 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 572' ' ' VAL . . . . . 0.559 HG12 ' HG2' ' A' ' 573' ' ' GLU . 2.8 t -122.0 112.74 36.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 74.23 109.294 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 573' ' ' GLU . . . . . 0.559 ' HG2' HG12 ' A' ' 572' ' ' VAL . 7.0 pt-20 43.74 35.0 0.94 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 71.53 110.284 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 45.38 43.97 10.5 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.522 1.139 . . . . 73.02 111.009 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 1.5 m -109.24 -48.98 3.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 0.773 . . . . 55.23 110.387 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -159.2 135.13 8.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 42.33 109.606 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 577' ' ' HIS . . . . . 0.707 ' CE1' ' CB ' ' A' ' 652' ' ' TRP . 5.7 m80 -64.32 126.0 26.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 73.44 109.611 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 578' ' ' VAL . . . . . 0.492 ' CG1' HG22 ' A' ' 632' ' ' VAL . 30.9 m -130.0 126.61 62.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 71.24 109.352 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 579' ' ' ASN . . . . . 0.48 ' ND2' ' CE1' ' A' ' 584' ' ' PHE . 10.2 t30 -92.53 121.24 33.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 74.2 109.306 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 580' ' ' VAL . . . . . 0.777 HG22 HD22 ' A' ' 630' ' ' LEU . 3.8 t -95.11 138.37 21.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 74.51 109.255 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 581' ' ' ASN . . . . . 0.444 ' OD1' ' N ' ' A' ' 584' ' ' PHE . 23.6 t-20 173.35 130.74 0.1 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 74.43 109.307 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 582' ' ' PRO . . . . . 0.418 ' HD2' ' ND2' ' A' ' 581' ' ' ASN . 18.4 Cg_endo -74.96 -24.95 12.41 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.494 1.786 . . . . 45.42 111.066 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 583' ' ' ASN . . . . . 0.415 ' ND2' ' N ' ' A' ' 583' ' ' ASN . 0.3 OUTLIER -80.9 -1.51 43.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 75.23 109.275 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 584' ' ' PHE . . . . . 0.482 ' O ' ' CD2' ' A' ' 588' ' ' TYR . 2.7 t80 -75.99 -31.16 58.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 73.34 110.991 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 6.3 m -58.59 -27.02 64.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 51.02 109.981 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -87.16 -14.07 42.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 74.42 109.295 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 587' ' ' TYR . . . . . 0.582 ' CD1' HG12 ' A' ' 563' ' ' VAL . 3.0 m-85 -95.46 6.87 47.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 72.11 111.017 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 588' ' ' TYR . . . . . 0.839 ' CD1' HG23 ' A' ' 610' ' ' ILE . 0.9 OUTLIER -167.98 158.48 10.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 61.24 110.99 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 589' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -132.95 124.53 27.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 75.53 109.325 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 590' ' ' VAL . . . . . 0.742 HG23 ' HE1' ' A' ' 588' ' ' TYR . 39.9 t -72.87 149.86 8.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.153 . . . . 74.23 109.246 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 4.0 t -60.42 174.63 0.53 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 64.41 110.023 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 26.3 ttp180 -57.01 -64.86 0.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 75.21 110.309 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -54.59 151.28 14.99 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 71.4 109.262 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -76.71 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.446 1.761 . . . . 72.31 110.984 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 595' ' ' VAL . . . . . 0.437 HG22 ' O ' ' A' ' 607' ' ' GLY . 77.8 t -122.97 123.82 68.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 62.34 109.281 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 596' ' ' VAL . . . . . . . . . . . . . 2.2 t -134.26 91.75 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.543 1.152 . . . . 72.53 109.281 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 597' ' ' ILE . . . . . 0.479 HG22 ' N ' ' A' ' 598' ' ' ASN . 3.5 mm -137.15 164.69 29.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.422 1.076 . . . . 60.54 109.306 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 598' ' ' ASN . . . . . 0.479 ' N ' HG22 ' A' ' 597' ' ' ILE . 16.0 t30 -87.91 -51.04 6.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 73.34 109.27 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.79 138.57 50.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 61.22 109.283 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 600' ' ' VAL . . . . . . . . . . . . . 16.7 t -98.74 151.23 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 65.34 109.32 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 601' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -99.98 168.13 10.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 75.34 110.988 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 602' ' ' LYS . . . . . 0.429 ' C ' ' N ' ' A' ' 604' ' ' TRP . 17.3 mmtp -105.94 -62.84 1.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 74.2 109.312 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 603' ' ' ASP . . . . . 0.431 ' CB ' ' OE1' ' A' ' 573' ' ' GLU . 47.2 m-20 -40.75 -29.85 0.11 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.125 . . . . 53.23 109.317 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 604' ' ' TRP . . . . . 0.53 ' CE2' ' SD ' ' A' ' 623' ' ' MET . 0.5 OUTLIER -157.16 174.8 14.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 74.41 108.032 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 605' ' ' LYS . . . . . 0.622 ' NZ ' HD13 ' A' ' 624' ' ' ILE . 6.0 ptmm? -112.04 154.0 44.39 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 71.33 109.284 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 606' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 140.93 26.08 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.509 1.794 . . . . 73.03 111.051 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 607' ' ' GLY . . . . . 0.437 ' O ' HG22 ' A' ' 595' ' ' VAL . . . -99.9 -127.11 5.9 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.494 1.121 . . . . 43.3 110.996 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 608' ' ' GLY . . . . . 0.418 ' O ' ' HA ' ' A' ' 621' ' ' LEU . . . -141.13 156.46 25.6 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.989 -0.844 . . . . 70.11 110.989 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 609' ' ' VAL . . . . . 0.411 ' H ' HG23 ' A' ' 609' ' ' VAL . 12.1 t -53.97 134.34 16.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.508 0.77 . . . . 73.52 109.265 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 610' ' ' ILE . . . . . 0.839 HG23 ' CD1' ' A' ' 588' ' ' TYR . 0.8 OUTLIER -110.26 143.93 19.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 72.12 109.305 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 611' ' ' SER . . . . . 0.401 ' O ' ' HA ' ' A' ' 588' ' ' TYR . 0.8 OUTLIER -137.85 119.1 14.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 62.02 110.028 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 612' ' ' CYS . . . . . 0.451 ' O ' ' N ' ' A' ' 616' ' ' GLY . 47.6 t -47.82 119.28 2.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 72.21 108.312 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 6.9 ttt-85 -67.51 -28.15 67.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 72.14 110.295 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 614' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -66.08 -40.05 90.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 65.43 109.294 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 615' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -123.22 -75.54 0.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 41.03 108.302 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 616' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 147.86 -17.21 1.4 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.516 1.135 . . . . 73.11 111.001 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 617' ' ' GLU . . . . . 0.428 ' OE2' ' ND2' ' A' ' 558' ' ' ASN . 2.9 tp10 -42.61 102.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 0.783 . . . . 65.41 110.325 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 91.1 t -53.58 112.32 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 74.03 109.301 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 619' ' ' TRP . . . . . 0.786 ' CE2' ' HE3' ' A' ' 638' ' ' MET . 34.4 m0 -71.31 -52.62 17.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 60.13 107.969 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 620' ' ' GLY . . . . . 0.401 ' O ' ' HA ' ' A' ' 609' ' ' VAL . . . 177.93 -97.73 0.11 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.504 1.128 . . . . 44.03 111.033 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 621' ' ' LEU . . . . . 0.698 ' C ' HD23 ' A' ' 621' ' ' LEU . 0.0 OUTLIER -161.21 170.63 19.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 0.775 . . . . 55.43 109.294 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 622' ' ' GLN . . . . . 0.449 ' HA ' HD11 ' A' ' 610' ' ' ILE . 0.6 OUTLIER -93.79 161.68 14.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 72.53 110.3 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 623' ' ' MET . . . . . 0.793 ' HG3' HG21 ' A' ' 632' ' ' VAL . 5.7 mmt -145.71 118.96 8.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 73.14 111.008 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 624' ' ' ILE . . . . . 0.731 HD12 ' N ' ' A' ' 624' ' ' ILE . 1.8 mp -95.36 134.1 33.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 35.22 109.304 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 625' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -140.02 105.64 5.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 74.02 111.021 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 626' ' ' LYS . . . . . 0.493 ' O ' ' CB ' ' A' ' 627' ' ' SER . 6.0 mmpt? 71.5 20.69 4.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 70.22 109.297 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 627' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.2 p 85.49 38.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 73.14 109.999 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 628' ' ' VAL . . . . . 0.716 HG12 ' HG ' ' A' ' 630' ' ' LEU . 38.8 t -128.18 113.36 30.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 71.11 109.265 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 3.0 mmmm -67.81 99.35 0.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 62.25 109.347 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 630' ' ' LEU . . . . . 0.777 HD22 HG22 ' A' ' 580' ' ' VAL . 66.2 mt -112.83 111.54 51.16 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 61.34 109.297 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 631' ' ' PRO . . . . . 0.619 ' HB2' HD11 ' A' ' 633' ' ' LEU . 18.3 Cg_endo -75.02 131.66 14.52 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.505 1.792 . . . . 72.43 111.018 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 632' ' ' VAL . . . . . 0.793 HG21 ' HG3' ' A' ' 623' ' ' MET . 91.7 t -99.35 93.4 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 60.43 109.299 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 633' ' ' LEU . . . . . 0.726 ' N ' HD13 ' A' ' 633' ' ' LEU . 0.0 OUTLIER -99.34 170.2 8.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 43.54 109.289 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 634' ' ' LYS . . . . . 0.474 ' HE3' ' CG ' ' A' ' 636' ' ' ARG . 0.6 OUTLIER -109.42 -169.56 1.5 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 73.15 109.238 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 635' ' ' VAL . . . . . 0.832 HG11 ' C ' ' A' ' 651' ' ' LYS . 12.0 p -112.0 -17.93 8.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 71.22 109.307 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 636' ' ' ARG . . . . . 0.535 ' O ' HD13 ' A' ' 557' ' ' ILE . 2.6 ptt85 -77.95 -9.6 59.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 73.11 110.291 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 637' ' ' SER . . . . . 0.463 ' HG ' ' HD1' ' A' ' 619' ' ' TRP . 89.8 p -121.52 -3.33 9.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 63.22 109.996 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 638' ' ' MET . . . . . 0.786 ' HE3' ' CE2' ' A' ' 619' ' ' TRP . 31.0 mmt -112.86 121.41 44.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 55.44 111.055 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 639' ' ' LEU . . . . . 0.827 HD12 ' H ' ' A' ' 640' ' ' LEU . 26.3 tp -89.82 152.24 21.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 71.41 109.333 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 640' ' ' LEU . . . . . 0.827 ' H ' HD12 ' A' ' 639' ' ' LEU . 6.9 mt -120.97 103.37 9.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 64.41 109.301 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 641' ' ' GLU . . . . . 0.425 ' HB2' HD11 ' A' ' 555' ' ' LEU . 5.4 mt-10 -73.92 126.59 30.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 71.05 110.306 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 642' ' ' THR . . . . . 0.754 HG21 HD12 ' A' ' 647' ' ' ILE . 1.9 p -135.52 159.03 73.08 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 74.04 110.387 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -20.07 17.11 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.473 1.775 . . . . 71.24 110.957 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -87.54 -16.0 35.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 73.11 110.299 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 135.45 133.88 3.3 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.493 1.121 . . . . 72.31 111.012 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 646' ' ' ARG . . . . . 0.808 ' HD2' HD21 ' A' ' 639' ' ' LEU . 24.6 mtm-85 -46.77 152.15 0.52 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 0.763 . . . . 62.31 110.307 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 647' ' ' ILE . . . . . 0.754 HD12 HG21 ' A' ' 642' ' ' THR . 11.2 mt -137.28 135.21 47.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 73.21 109.347 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 648' ' ' GLN . . . . . 0.417 ' OE1' ' N ' ' A' ' 649' ' ' ALA . 0.1 OUTLIER -133.86 117.01 16.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.103 . . . . 74.31 110.329 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 649' ' ' ALA . . . . . 0.417 ' N ' ' OE1' ' A' ' 648' ' ' GLN . . . -126.03 151.34 47.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 42.34 109.362 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 650' ' ' LYS . . . . . 0.439 ' HA ' ' CB ' ' A' ' 636' ' ' ARG . 7.2 mttm -94.56 4.73 53.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 71.05 109.32 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 651' ' ' LYS . . . . . 0.832 ' C ' HG11 ' A' ' 635' ' ' VAL . 2.0 mmmp? -142.66 142.54 32.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 74.01 109.294 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 652' ' ' TRP . . . . . 0.707 ' CB ' ' CE1' ' A' ' 577' ' ' HIS . 46.1 m95 -73.34 -17.1 61.33 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.994 -1.113 . . . . 64.1 107.994 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 2.2 m -63.65 -12.33 32.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 65.03 109.952 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 654' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 655' ' ' VAL . 9.2 mmt85 -107.23 -24.84 11.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 62.21 110.272 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 655' ' ' VAL . . . . . 0.767 HG23 HG21 ' A' ' 635' ' ' VAL . 2.4 t -40.41 125.23 1.79 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 63.14 109.277 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 656' ' ' PRO . . . . . 0.691 ' HD2' HD13 ' A' ' 640' ' ' LEU . 18.2 Cg_endo -75.01 -50.09 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.505 1.792 . . . . 64.41 110.97 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 657' ' ' PHE . . . . . 1.019 ' CE1' HG22 ' A' ' 659' ' ' VAL . 19.7 p90 -63.44 150.15 44.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.167 . . . . 62.41 110.971 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 658' ' ' SER . . . . . 0.405 ' O ' HG11 ' A' ' 549' ' ' VAL . 0.1 OUTLIER -83.25 143.21 30.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 75.03 110.002 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 659' ' ' VAL . . . . . 1.019 HG22 ' CE1' ' A' ' 657' ' ' PHE . 1.9 t -121.26 95.44 48.54 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 71.35 109.348 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 660' ' ' PRO . . . . . 0.412 ' O ' ' HA ' ' A' ' 570' ' ' ARG . 18.3 Cg_endo -75.01 147.88 34.48 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.561 1.821 . . . . 62.43 111.013 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 9.4 p30 -59.9 163.8 4.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 72.12 109.272 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 662' ' ' PHE . . . . . 0.587 ' CZ ' ' CG ' ' A' ' 667' ' ' HIS . 62.4 t80 -78.31 121.29 24.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 73.11 111.012 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 663' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -86.06 102.02 13.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 63.23 109.317 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 664' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -68.41 -18.21 64.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 63.24 111.034 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 16.6 mt -75.43 -55.53 5.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 75.32 109.323 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.32 -43.64 97.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 73.35 110.262 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 667' ' ' HIS . . . . . 0.587 ' CG ' ' CZ ' ' A' ' 662' ' ' PHE . 23.9 m-70 -62.51 -53.48 54.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 71.43 109.594 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 668' ' ' CYS . . . . . . . . . . . . . 24.7 t -63.35 -23.17 67.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 64.02 108.281 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 669' ' ' ALA . . . . . 0.491 ' O ' HD23 ' A' ' 675' ' ' LEU . . . -85.4 -11.67 53.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 75.34 109.322 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 670' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -115.84 -2.53 12.34 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.115 . . . . 74.44 110.264 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -101.85 -19.03 15.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 70.3 109.293 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 12.0 mt -98.95 -175.28 2.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 64.24 109.314 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 673' ' ' SER . . . . . 0.495 ' HB3' HD12 ' A' ' 677' ' ' LEU . 69.8 m -121.79 5.03 9.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 51.05 110.04 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -65.78 -15.55 62.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 72.52 109.254 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 675' ' ' LEU . . . . . 0.507 HD22 ' N ' ' A' ' 675' ' ' LEU . 2.1 mm? -96.67 -66.87 0.88 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.095 . . . . 72.52 109.313 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 676' ' ' SER . . . . . 0.736 ' C ' HD13 ' A' ' 677' ' ' LEU . 5.1 p -151.22 175.07 12.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 71.4 109.998 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 677' ' ' LEU . . . . . 0.736 HD13 ' C ' ' A' ' 676' ' ' SER . 0.1 OUTLIER -114.64 -39.8 3.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 74.45 109.298 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 31.0 t0 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 63.41 109.268 179.995 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 679' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.999 -0.841 . . . . 43.52 110.999 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -169.75 0.68 Allowed 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.495 1.787 . . . . 75.41 110.988 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 17.2 m-70 -112.74 158.44 20.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 54.35 109.557 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 545' ' ' MET . . . . . 0.49 ' C ' ' CE1' ' A' ' 547' ' ' PHE . 43.4 mtp -88.51 53.19 2.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 72.32 111.056 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 546' ' ' GLN . . . . . 0.584 ' C ' ' CD1' ' A' ' 547' ' ' PHE . 1.8 pt20 -113.55 145.15 41.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 73.02 110.28 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 547' ' ' PHE . . . . . 0.584 ' CD1' ' C ' ' A' ' 546' ' ' GLN . 0.7 OUTLIER -159.67 99.81 1.51 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 73.53 111.001 179.93 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 548' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 144.24 29.78 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.512 1.796 . . . . 74.03 110.963 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 549' ' ' VAL . . . . . 0.447 HG12 ' HB2' ' A' ' 657' ' ' PHE . 29.1 m -51.35 -44.62 31.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.12 . . . . 51.32 109.275 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -53.91 -28.8 39.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 65.14 110.319 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 8.7 m170 -90.79 -21.83 21.32 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.424 1.078 . . . . 51.53 109.61 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 552' ' ' VAL . . . . . 0.772 HG21 ' HB3' ' A' ' 657' ' ' PHE . 41.8 t -93.07 124.84 45.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 65.23 109.304 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -111.03 148.16 33.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 73.1 110.327 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 554' ' ' LEU . . . . . 0.83 HD11 HD23 ' A' ' 569' ' ' LEU . 0.7 OUTLIER -89.04 112.33 23.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 75.11 109.28 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 555' ' ' LEU . . . . . 0.861 HD11 ' HB2' ' A' ' 641' ' ' GLU . 0.2 OUTLIER -131.96 178.72 6.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 64.3 109.26 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 556' ' ' CYS . . . . . 0.519 ' O ' ' N ' ' A' ' 560' ' ' MET . 2.4 t -107.47 99.12 8.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 114.956 -1.02 . . . . 73.15 110.89 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 557' ' ' ILE . . . . . 0.881 HD13 ' O ' ' A' ' 636' ' ' ARG . 1.2 pt -31.49 -38.83 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 65.21 109.313 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 558' ' ' ASN . . . . . 0.516 ' N ' ' O ' ' A' ' 556' ' ' CYS . 13.7 m-20 -71.99 -64.21 0.98 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 61.14 109.277 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 559' ' ' CYS . . . . . 0.502 ' O ' ' HB2' ' A' ' 560' ' ' MET . 6.9 m -74.96 -70.48 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 71.35 108.314 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 560' ' ' MET . . . . . 0.519 ' N ' ' O ' ' A' ' 556' ' ' CYS . 28.1 mtm 79.14 46.37 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 62.34 110.988 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 561' ' ' VAL . . . . . 0.478 ' O ' HG23 ' A' ' 561' ' ' VAL . 1.0 OUTLIER -114.67 15.65 8.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 74.55 109.281 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 562' ' ' ALA . . . . . 0.543 ' CA ' HD23 ' A' ' 555' ' ' LEU . . . 66.07 108.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 52.13 109.296 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 563' ' ' VAL . . . . . 0.793 HG12 ' CD1' ' A' ' 587' ' ' TYR . 1.1 m -107.4 -6.67 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 61.23 109.306 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -178.25 -158.08 20.26 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.465 1.103 . . . . 72.5 111.064 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 565' ' ' HIS . . . . . . . . . . . . . 39.2 m80 -128.83 146.13 51.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 0.746 . . . . 71.11 109.605 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . -75.36 -4.94 75.81 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.526 1.141 . . . . 70.4 111.022 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 567' ' ' SER . . . . . 0.407 ' CB ' HG23 ' A' ' 549' ' ' VAL . 20.2 p -112.18 9.12 20.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 0.793 . . . . 50.01 110.049 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 568' ' ' ASP . . . . . 0.482 ' O ' ' CZ ' ' A' ' 570' ' ' ARG . 4.2 t0 -110.36 -19.46 12.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 50.53 109.321 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 569' ' ' LEU . . . . . 0.833 HD13 HG13 ' A' ' 659' ' ' VAL . 0.1 OUTLIER -83.15 164.47 20.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 63.02 109.31 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 570' ' ' ARG . . . . . 0.482 ' CZ ' ' O ' ' A' ' 568' ' ' ASP . 0.6 OUTLIER -143.83 -177.64 5.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 61.44 110.293 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 571' ' ' LYS . . . . . 0.515 ' HD3' ' CE1' ' A' ' 577' ' ' HIS . 13.3 ttpt -117.81 158.57 24.55 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 72.1 109.31 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 572' ' ' VAL . . . . . 0.589 HG12 ' HG2' ' A' ' 573' ' ' GLU . 2.4 t -125.7 114.03 37.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 71.35 109.32 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 573' ' ' GLU . . . . . 0.589 ' HG2' HG12 ' A' ' 572' ' ' VAL . 17.9 pt-20 41.2 36.94 0.53 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 73.03 110.31 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 39.5 55.15 2.64 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.462 1.101 . . . . 73.14 110.987 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 2.2 m -131.27 -60.66 0.94 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.445 0.732 . . . . 72.13 110.383 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 576' ' ' HIS . . . . . 0.694 ' CE1' ' CZ2' ' A' ' 604' ' ' TRP . 0.0 OUTLIER -133.0 124.62 28.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 65.41 109.635 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 577' ' ' HIS . . . . . 0.537 ' CD2' ' CG ' ' A' ' 652' ' ' TRP . 30.7 m-70 -69.17 156.46 38.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 74.14 109.564 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 578' ' ' VAL . . . . . 0.926 HG12 HG22 ' A' ' 632' ' ' VAL . 18.1 m -155.93 115.19 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 70.11 109.268 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 579' ' ' ASN . . . . . 0.475 ' HB3' ' CD2' ' A' ' 633' ' ' LEU . 10.7 t30 -86.88 111.6 20.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 70.2 109.323 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 580' ' ' VAL . . . . . 0.922 HG22 HD22 ' A' ' 630' ' ' LEU . 3.0 t -81.88 139.24 18.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 73.21 109.273 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 581' ' ' ASN . . . . . 0.476 ' CB ' ' HB2' ' A' ' 584' ' ' PHE . 1.2 m120 178.86 128.44 0.22 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 74.14 109.279 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 582' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -34.08 4.06 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.48 1.779 . . . . 63.11 110.992 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 583' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -79.29 -2.37 41.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 75.31 109.317 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 584' ' ' PHE . . . . . 0.512 ' O ' ' CD2' ' A' ' 588' ' ' TYR . 3.6 t80 -69.2 -32.87 72.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 74.3 110.995 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 585' ' ' SER . . . . . 0.528 ' HA ' ' CE2' ' A' ' 588' ' ' TYR . 84.0 p -56.95 -24.8 55.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 43.2 109.995 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 23.8 m-80 -87.78 -18.5 29.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 75.35 109.264 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 587' ' ' TYR . . . . . 0.793 ' CD1' HG12 ' A' ' 563' ' ' VAL . 4.9 m-85 -91.92 2.23 56.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 71.41 110.964 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 588' ' ' TYR . . . . . 0.734 ' HE1' HG23 ' A' ' 590' ' ' VAL . 1.2 p90 -160.77 159.0 29.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 64.51 111.009 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 589' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -128.41 128.95 45.43 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.472 1.108 . . . . 75.42 109.263 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 590' ' ' VAL . . . . . 0.734 HG23 ' HE1' ' A' ' 588' ' ' TYR . 13.0 t -76.05 133.99 29.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 73.52 109.336 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 591' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 592' ' ' ARG . 11.8 m -56.59 138.35 52.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 64.24 109.992 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 592' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 591' ' ' SER . 0.2 OUTLIER -36.72 -60.96 0.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 71.11 110.293 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 593' ' ' ASP . . . . . 0.406 ' O ' ' O ' ' A' ' 591' ' ' SER . 1.5 m-20 -47.42 158.41 0.48 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 63.44 109.267 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 594' ' ' PRO . . . . . 0.401 ' O ' ' O ' ' A' ' 607' ' ' GLY . 18.3 Cg_endo -75.01 -89.76 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.536 1.808 . . . . 41.52 110.99 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 595' ' ' VAL . . . . . 0.404 HG11 ' HG2' ' A' ' 606' ' ' PRO . 11.5 t -109.1 131.67 59.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 72.02 109.315 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 596' ' ' VAL . . . . . . . . . . . . . 2.1 t -135.57 83.3 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 72.35 109.274 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 597' ' ' ILE . . . . . 0.816 HD11 ' HG ' ' A' ' 621' ' ' LEU . 3.1 mm -134.26 159.95 41.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 61.22 109.262 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 598' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -82.08 -47.16 12.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 62.11 109.32 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 599' ' ' LYS . . . . . 0.521 ' NZ ' ' CE2' ' A' ' 601' ' ' PHE . 0.0 OUTLIER -125.01 135.25 52.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 74.24 109.286 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 600' ' ' VAL . . . . . 0.469 HG12 ' N ' ' A' ' 601' ' ' PHE . 21.5 t -86.53 166.55 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 73.34 109.295 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 601' ' ' PHE . . . . . 0.521 ' CE2' ' NZ ' ' A' ' 599' ' ' LYS . 24.7 m-85 -125.98 168.06 14.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 72.23 111.035 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 602' ' ' LYS . . . . . 0.421 ' C ' ' N ' ' A' ' 604' ' ' TRP . 51.0 mmtt -110.65 -53.5 2.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 73.02 109.3 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 603' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 602' ' ' LYS . 53.6 m-20 -40.67 -30.65 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 61.3 109.318 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 604' ' ' TRP . . . . . 0.694 ' CZ2' ' CE1' ' A' ' 576' ' ' HIS . 0.5 OUTLIER -156.33 167.09 31.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 74.23 108.001 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 605' ' ' LYS . . . . . . . . . . . . . 9.8 ptmt -108.92 154.29 41.96 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 72.33 109.284 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 606' ' ' PRO . . . . . 0.404 ' HG2' HG11 ' A' ' 595' ' ' VAL . 18.2 Cg_endo -74.96 171.51 18.17 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.434 1.755 . . . . 73.22 111.022 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 607' ' ' GLY . . . . . 0.554 ' H ' HD23 ' A' ' 621' ' ' LEU . . . -133.02 -106.2 0.97 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.492 1.12 . . . . 72.4 110.98 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 608' ' ' GLY . . . . . 0.644 ' HA3' HG13 ' A' ' 590' ' ' VAL . . . -141.97 145.88 16.52 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.006 -0.838 . . . . 75.03 111.006 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 26.3 t -53.85 123.77 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.52 0.776 . . . . 74.23 109.3 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 610' ' ' ILE . . . . . 0.652 HG23 ' CD1' ' A' ' 588' ' ' TYR . 0.6 OUTLIER -92.22 153.23 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 75.21 109.305 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.12 122.81 4.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 75.24 109.957 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 612' ' ' CYS . . . . . 0.45 ' O ' ' N ' ' A' ' 616' ' ' GLY . 25.6 t -48.43 116.99 1.77 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 71.12 108.335 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 9.5 ttt180 -71.81 -25.24 61.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 74.11 110.285 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 614' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -66.04 -35.86 81.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 52.54 109.291 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 615' ' ' CYS . . . . . 0.403 ' N ' ' SG ' ' A' ' 559' ' ' CYS . 1.4 m -127.42 -73.34 0.61 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.123 . . . . 72.21 108.288 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 616' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 150.98 -18.81 0.96 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.535 1.147 . . . . 61.52 111.026 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -42.08 102.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 0.781 . . . . 71.42 110.33 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 7.5 t -49.33 130.4 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 71.4 109.287 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 619' ' ' TRP . . . . . 0.833 ' CE2' ' HE3' ' A' ' 638' ' ' MET . 39.4 m0 -94.2 -36.21 12.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 74.23 107.994 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 620' ' ' GLY . . . . . . . . . . . . . . . 154.18 -113.5 0.57 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.455 1.097 . . . . 73.32 110.969 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 621' ' ' LEU . . . . . 0.816 ' HG ' HD11 ' A' ' 597' ' ' ILE . 0.0 OUTLIER -147.84 155.76 41.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 0.773 . . . . 74.23 109.297 -179.941 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 622' ' ' GLN . . . . . 0.641 ' HA ' HD11 ' A' ' 610' ' ' ILE . 1.1 tt0 -85.02 133.56 34.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 74.04 110.331 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 623' ' ' MET . . . . . 0.539 ' HG3' ' CH2' ' A' ' 604' ' ' TRP . 12.4 mmt -114.61 141.98 47.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 65.44 111.03 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 624' ' ' ILE . . . . . 0.663 HD12 ' N ' ' A' ' 624' ' ' ILE . 3.7 mp -115.37 141.53 31.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 63.2 109.302 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 625' ' ' TYR . . . . . 0.434 ' CE2' ' HG3' ' A' ' 626' ' ' LYS . 21.4 t80 -149.07 110.3 4.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 72.11 110.976 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 626' ' ' LYS . . . . . 0.492 ' O ' ' CB ' ' A' ' 627' ' ' SER . 1.2 mmpt? 68.47 18.54 8.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 74.43 109.306 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 627' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.2 p 85.37 39.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 51.34 109.998 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 628' ' ' VAL . . . . . 0.718 HG12 ' HG ' ' A' ' 630' ' ' LEU . 48.9 t -124.97 113.01 33.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.559 1.162 . . . . 62.51 109.323 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 629' ' ' LYS . . . . . 0.499 ' CE ' ' OE1' ' A' ' 622' ' ' GLN . 5.4 mmmm -71.44 99.38 1.99 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 62.52 109.324 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 630' ' ' LEU . . . . . 0.922 HD22 HG22 ' A' ' 580' ' ' VAL . 56.6 mt -115.55 111.76 43.74 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 73.11 109.313 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 631' ' ' PRO . . . . . 0.632 ' HB2' HD11 ' A' ' 633' ' ' LEU . 18.5 Cg_endo -74.98 129.59 12.5 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.5 1.789 . . . . 72.35 111.019 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 632' ' ' VAL . . . . . 0.951 ' C ' HD13 ' A' ' 633' ' ' LEU . 16.7 t -98.89 109.08 23.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 70.03 109.291 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 633' ' ' LEU . . . . . 0.951 HD13 ' C ' ' A' ' 632' ' ' VAL . 0.0 OUTLIER -111.03 171.73 7.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 53.41 109.327 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 634' ' ' LYS . . . . . 0.438 ' HE3' ' CG ' ' A' ' 636' ' ' ARG . 1.1 mtmt -99.95 -178.15 3.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.095 . . . . 73.13 109.299 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 635' ' ' VAL . . . . . 0.991 HG11 ' C ' ' A' ' 651' ' ' LYS . 13.9 p -102.63 -28.95 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 73.4 109.299 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 636' ' ' ARG . . . . . 0.881 ' O ' HD13 ' A' ' 557' ' ' ILE . 1.6 ptm180 -76.86 -17.59 58.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 72.43 110.265 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 4.9 p -99.47 -11.69 20.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 72.4 110.005 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 638' ' ' MET . . . . . 0.833 ' HE3' ' CE2' ' A' ' 619' ' ' TRP . 32.9 mmt -109.09 129.09 55.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 73.01 111.034 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 639' ' ' LEU . . . . . 0.823 HD12 ' N ' ' A' ' 640' ' ' LEU . 7.2 tp -93.03 141.31 28.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 44.12 109.318 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 640' ' ' LEU . . . . . 0.823 ' N ' HD12 ' A' ' 639' ' ' LEU . 0.7 OUTLIER -109.18 94.37 5.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 71.32 109.253 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 641' ' ' GLU . . . . . 0.861 ' HB2' HD11 ' A' ' 555' ' ' LEU . 7.3 mt-10 -75.43 127.81 33.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 74.32 110.277 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 642' ' ' THR . . . . . 0.588 HG21 HD12 ' A' ' 647' ' ' ILE . 0.2 OUTLIER -136.42 160.31 67.27 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.113 . . . . 63.41 110.379 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 1.96 7.14 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.46 1.768 . . . . 73.4 110.977 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -108.96 -9.09 15.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 71.34 110.313 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 127.18 134.53 3.98 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.521 1.138 . . . . 72.03 110.945 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 646' ' ' ARG . . . . . 0.75 ' HD2' HD21 ' A' ' 639' ' ' LEU . 66.0 mtm180 -46.11 152.32 0.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 0.755 . . . . 71.21 110.258 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 647' ' ' ILE . . . . . 0.588 HD12 HG21 ' A' ' 642' ' ' THR . 35.5 mt -139.76 134.61 38.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 73.42 109.275 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 648' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.92 110.11 9.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.134 . . . . 72.41 110.317 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 649' ' ' ALA . . . . . 0.478 ' CB ' ' HB2' ' A' ' 654' ' ' ARG . . . -101.21 -178.39 3.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 42.41 109.293 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 39.1 mttt -114.14 -13.31 12.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 74.44 109.261 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 651' ' ' LYS . . . . . 0.991 ' C ' HG11 ' A' ' 635' ' ' VAL . 13.7 mmmt -144.24 160.16 41.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 73.1 109.316 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 652' ' ' TRP . . . . . 0.7 ' HA ' HG23 ' A' ' 655' ' ' VAL . 69.0 m95 -74.52 -6.06 46.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 64.43 107.993 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 1.9 t -72.13 -18.37 61.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 74.44 109.972 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 654' ' ' ARG . . . . . 0.478 ' HB2' ' CB ' ' A' ' 649' ' ' ALA . 6.0 mmm-85 -100.58 -17.67 16.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 72.3 110.298 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 655' ' ' VAL . . . . . 0.744 HG13 ' CD1' ' A' ' 657' ' ' PHE . 2.9 t -40.17 118.74 1.43 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 75.21 109.339 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 656' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -42.62 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.532 1.806 . . . . 62.13 111.015 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 657' ' ' PHE . . . . . 0.795 ' CE2' HG22 ' A' ' 659' ' ' VAL . 50.5 p90 -72.71 160.39 32.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 73.13 111.003 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 658' ' ' SER . . . . . 0.443 ' O ' ' CG1' ' A' ' 549' ' ' VAL . 42.2 m -88.68 149.54 23.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 74.53 110.026 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 659' ' ' VAL . . . . . 0.833 HG13 HD13 ' A' ' 569' ' ' LEU . 2.2 t -133.97 95.48 17.07 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 43.2 109.283 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 660' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 148.82 35.69 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.512 1.796 . . . . 71.24 110.981 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 661' ' ' ASP . . . . . 0.414 ' HA ' ' O ' ' A' ' 571' ' ' LYS . 58.3 p30 -54.67 166.6 0.45 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 75.1 109.295 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 662' ' ' PHE . . . . . 0.44 ' N ' ' O ' ' A' ' 571' ' ' LYS . 47.9 t80 -77.65 111.86 13.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 74.3 110.984 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 663' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -69.25 93.52 0.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 71.45 109.292 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 664' ' ' PHE . . . . . 0.569 ' CE1' ' SG ' ' A' ' 668' ' ' CYS . 31.4 t80 -65.7 -37.36 86.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 71.54 110.989 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 85.7 mt -60.57 -56.75 17.55 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.123 . . . . 73.13 109.299 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 666' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 669' ' ' ALA . 13.3 tt0 -59.99 -60.13 4.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 72.41 110.292 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 667' ' ' HIS . . . . . 0.401 ' NE2' HG11 ' A' ' 580' ' ' VAL . 5.9 t-80 -45.96 -37.09 6.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 72.45 109.58 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 668' ' ' CYS . . . . . 0.569 ' SG ' ' CE1' ' A' ' 664' ' ' PHE . 5.9 m -67.95 -42.74 80.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.135 . . . . 52.44 108.259 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 669' ' ' ALA . . . . . 0.465 ' HB1' HD23 ' A' ' 675' ' ' LEU . . . -70.02 -11.43 60.87 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.487 1.117 . . . . 42.24 109.303 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 670' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -86.22 -33.32 20.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 73.4 110.272 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -95.25 -61.03 1.55 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 73.21 109.264 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 672' ' ' LEU . . . . . 0.425 HD23 ' N ' ' A' ' 672' ' ' LEU . 3.1 mt -42.28 -57.89 2.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.095 . . . . 73.11 109.303 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 1.3 m 65.55 21.58 11.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 54.54 109.985 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -72.33 -15.36 61.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 71.42 109.295 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 675' ' ' LEU . . . . . 0.58 ' H ' HD22 ' A' ' 675' ' ' LEU . 1.0 OUTLIER -76.31 -61.71 1.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 74.2 109.279 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 676' ' ' SER . . . . . . . . . . . . . 4.6 p -173.16 150.52 1.95 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 71.42 109.986 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 677' ' ' LEU . . . . . 0.623 ' N ' HD12 ' A' ' 677' ' ' LEU . 1.7 mp -86.61 -51.94 5.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 74.54 109.296 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 2.8 t70 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 74.53 109.32 179.984 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 679' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.954 -0.859 . . . . 53.12 110.954 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -27.72 9.76 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.506 1.793 . . . . 71.15 110.999 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -124.22 121.52 35.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 75.45 109.602 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 545' ' ' MET . . . . . . . . . . . . . 5.5 mtt -85.14 98.87 10.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 72.13 110.997 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 546' ' ' GLN . . . . . 0.595 ' C ' ' CD1' ' A' ' 547' ' ' PHE . 3.6 pt20 -120.38 155.35 33.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.435 1.085 . . . . 75.5 110.329 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 547' ' ' PHE . . . . . 0.647 ' CD1' ' N ' ' A' ' 547' ' ' PHE . 0.1 OUTLIER -153.16 98.21 2.77 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 74.4 111.03 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 548' ' ' PRO . . . . . 0.597 ' O ' HG23 ' A' ' 552' ' ' VAL . 18.1 Cg_endo -75.0 138.02 22.46 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.492 1.785 . . . . 65.22 111.024 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 549' ' ' VAL . . . . . 0.704 HG12 ' HB2' ' A' ' 657' ' ' PHE . 17.9 m -52.92 -32.26 17.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 73.34 109.258 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 550' ' ' GLU . . . . . 0.451 ' OE2' ' NE2' ' A' ' 551' ' ' HIS . 2.6 pt-20 -66.22 -30.27 70.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 74.22 110.303 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 551' ' ' HIS . . . . . 0.51 ' CG ' ' HG2' ' A' ' 548' ' ' PRO . 23.9 m170 -96.46 -8.92 30.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 75.5 109.556 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 552' ' ' VAL . . . . . 0.653 ' CG1' HD12 ' A' ' 640' ' ' LEU . 86.8 t -103.13 130.12 53.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 74.23 109.261 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 553' ' ' GLN . . . . . 0.762 ' HB3' HD11 ' A' ' 555' ' ' LEU . 10.1 tt0 -119.37 162.33 18.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 71.43 110.311 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 554' ' ' LEU . . . . . 0.84 HD11 HD23 ' A' ' 569' ' ' LEU . 1.3 mt -96.43 108.48 21.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 74.11 109.277 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 555' ' ' LEU . . . . . 0.799 HD12 ' N ' ' A' ' 555' ' ' LEU . 0.4 OUTLIER -120.8 172.03 8.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.571 1.169 . . . . 54.32 109.349 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 556' ' ' CYS . . . . . 0.562 ' O ' ' N ' ' A' ' 560' ' ' MET . 3.5 t -107.96 109.29 20.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.02 -0.991 . . . . 61.11 110.958 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 557' ' ' ILE . . . . . 0.694 HD13 ' O ' ' A' ' 636' ' ' ARG . 0.9 OUTLIER -36.05 -32.23 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.1 . . . . 71.43 109.293 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 558' ' ' ASN . . . . . 0.509 ' N ' ' O ' ' A' ' 556' ' ' CYS . 2.7 m120 -86.23 -67.05 0.84 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 74.41 109.311 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 559' ' ' CYS . . . . . 0.471 ' O ' ' HB2' ' A' ' 560' ' ' MET . 3.7 m -62.42 -64.53 0.9 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 64.21 108.306 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 560' ' ' MET . . . . . 0.562 ' N ' ' O ' ' A' ' 556' ' ' CYS . 11.6 mtm 68.24 39.94 2.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 64.55 110.994 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 561' ' ' VAL . . . . . 0.465 ' O ' HG23 ' A' ' 561' ' ' VAL . 0.9 OUTLIER -117.81 11.87 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 75.43 109.301 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 562' ' ' ALA . . . . . 0.403 ' HA ' ' O ' ' A' ' 554' ' ' LEU . . . 66.17 112.44 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 75.02 109.284 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 563' ' ' VAL . . . . . 0.662 HG12 ' CD1' ' A' ' 587' ' ' TYR . 1.0 OUTLIER -106.96 -8.21 10.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 54.45 109.307 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -170.26 -148.71 6.04 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.501 1.125 . . . . 62.23 111.002 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 565' ' ' HIS . . . . . . . . . . . . . 20.9 m80 -138.84 150.17 45.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 0.794 . . . . 50.53 109.613 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 566' ' ' GLY . . . . . 0.657 ' O ' HD11 ' A' ' 569' ' ' LEU . . . -80.49 -12.89 82.48 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.534 1.146 . . . . 64.22 111.008 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 567' ' ' SER . . . . . 0.585 ' OG ' HG23 ' A' ' 549' ' ' VAL . 9.2 t -101.96 2.22 37.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 0.751 . . . . 35.3 110.001 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -106.17 -24.47 12.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 71.43 109.294 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 569' ' ' LEU . . . . . 0.84 HD23 HD11 ' A' ' 554' ' ' LEU . 0.2 OUTLIER -74.18 149.89 40.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 74.41 109.329 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 570' ' ' ARG . . . . . 0.723 ' HA ' HG23 ' A' ' 659' ' ' VAL . 15.2 mmm-85 -137.53 144.93 42.38 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 73.21 110.281 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 571' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' A' ' 662' ' ' PHE . 18.5 ttpt -79.66 158.75 26.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 71.23 109.336 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 572' ' ' VAL . . . . . 0.466 HG23 ' CG2' ' A' ' 578' ' ' VAL . 2.6 t -112.09 107.75 23.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 72.13 109.307 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 573' ' ' GLU . . . . . 0.45 ' HG2' HG12 ' A' ' 572' ' ' VAL . 7.4 pt-20 41.36 36.79 0.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 75.12 110.264 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 574' ' ' GLY . . . . . 0.463 ' HA2' ' CD ' ' A' ' 571' ' ' LYS . . . 49.86 49.4 35.27 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.506 1.129 . . . . 72.11 110.989 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 575' ' ' THR . . . . . 0.414 HG22 ' CG ' ' A' ' 576' ' ' HIS . 1.2 m -125.27 -64.67 1.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 0.768 . . . . 74.25 110.364 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 576' ' ' HIS . . . . . 0.414 ' CG ' HG22 ' A' ' 575' ' ' THR . 13.2 m-70 -127.13 150.71 49.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.138 . . . . 74.31 109.626 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 577' ' ' HIS . . . . . 0.704 ' HE1' HG13 ' A' ' 659' ' ' VAL . 3.5 m-70 -88.0 130.23 35.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 71.42 109.573 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 578' ' ' VAL . . . . . 0.843 HG12 HG22 ' A' ' 632' ' ' VAL . 22.3 m -137.46 108.62 5.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 73.23 109.29 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 579' ' ' ASN . . . . . 0.551 ' ND2' ' CE1' ' A' ' 584' ' ' PHE . 7.2 t30 -79.86 110.07 14.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 71.22 109.331 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 580' ' ' VAL . . . . . 0.934 HG11 ' CE1' ' A' ' 667' ' ' HIS . 3.3 t -81.51 151.43 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 75.23 109.315 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 581' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 580' ' ' VAL . 0.3 OUTLIER 161.82 126.67 0.01 OUTLIER Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 62.14 109.282 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 582' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -24.61 12.74 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.545 1.813 . . . . 74.52 111.034 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 583' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -81.86 -4.45 56.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 73.03 109.293 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 584' ' ' PHE . . . . . 0.553 ' O ' ' CD2' ' A' ' 588' ' ' TYR . 2.3 t80 -72.46 -32.86 66.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 72.14 111.012 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 585' ' ' SER . . . . . 0.482 ' HA ' ' CE2' ' A' ' 588' ' ' TYR . 9.1 t -57.01 -25.15 58.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.157 . . . . 75.41 110.013 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -87.83 -18.0 30.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 70.31 109.262 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 587' ' ' TYR . . . . . 0.662 ' CD1' HG12 ' A' ' 563' ' ' VAL . 6.5 m-85 -92.5 2.08 56.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 72.04 110.993 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 588' ' ' TYR . . . . . 0.75 ' HE1' HG23 ' A' ' 590' ' ' VAL . 1.6 p90 -161.29 161.1 30.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 61.23 111.051 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 589' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -128.74 126.2 39.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 74.12 109.311 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 590' ' ' VAL . . . . . 0.75 HG23 ' HE1' ' A' ' 588' ' ' TYR . 7.9 t -73.16 141.49 16.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 51.21 109.28 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 591' ' ' SER . . . . . 0.414 ' O ' HG12 ' A' ' 590' ' ' VAL . 7.7 p -62.89 173.84 1.24 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 73.11 110.006 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 60.5 ttt180 -81.83 -42.08 20.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 74.43 110.345 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -47.78 151.47 1.56 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 64.25 109.294 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -89.56 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.434 1.755 . . . . 64.03 111.001 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 79.7 t -105.57 127.76 60.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 64.43 109.338 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 596' ' ' VAL . . . . . . . . . . . . . 2.2 t -135.26 78.17 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.469 1.105 . . . . 74.54 109.357 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 597' ' ' ILE . . . . . 0.471 ' CG2' ' N ' ' A' ' 598' ' ' ASN . 2.5 mt -144.01 162.16 15.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 74.0 109.268 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 598' ' ' ASN . . . . . 0.471 ' N ' ' CG2' ' A' ' 597' ' ' ILE . 33.5 t30 -71.41 -52.0 20.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 75.11 109.267 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 599' ' ' LYS . . . . . 0.552 ' HE3' ' CE2' ' A' ' 601' ' ' PHE . 0.0 OUTLIER -135.24 133.58 39.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 51.42 109.278 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 600' ' ' VAL . . . . . 0.491 HG13 ' HD3' ' A' ' 606' ' ' PRO . 11.7 t -86.98 151.05 3.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.135 . . . . 65.14 109.266 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 601' ' ' PHE . . . . . 0.552 ' CE2' ' HE3' ' A' ' 599' ' ' LYS . 10.5 m-85 -120.66 168.12 11.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.432 1.083 . . . . 75.02 110.974 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 602' ' ' LYS . . . . . 0.407 ' C ' ' N ' ' A' ' 604' ' ' TRP . 28.0 tptp -100.67 -56.02 2.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 72.32 109.263 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 603' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 602' ' ' LYS . 14.9 m-20 -40.36 -32.54 0.19 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 71.22 109.292 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 604' ' ' TRP . . . . . 0.601 ' CH2' ' SD ' ' A' ' 623' ' ' MET . 0.2 OUTLIER -157.18 124.6 5.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 71.15 108.003 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 605' ' ' LYS . . . . . . . . . . . . . 22.8 pttt -86.39 163.21 43.09 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 64.21 109.329 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 606' ' ' PRO . . . . . 0.491 ' HD3' HG13 ' A' ' 600' ' ' VAL . 18.1 Cg_endo -74.99 -166.49 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.466 1.772 . . . . 71.44 111.003 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 607' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 622' ' ' GLN . . . -152.97 -101.5 0.21 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.524 1.14 . . . . 51.12 111.027 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 608' ' ' GLY . . . . . 0.66 ' HA3' HG13 ' A' ' 590' ' ' VAL . . . -151.05 152.15 24.01 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 110.999 -0.84 . . . . 74.25 110.999 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 13.4 t -56.53 128.3 16.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.536 0.786 . . . . 74.52 109.291 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 610' ' ' ILE . . . . . 0.53 HG23 ' CD1' ' A' ' 588' ' ' TYR . 0.6 OUTLIER -91.25 149.54 4.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 52.22 109.301 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -153.87 114.81 4.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.169 . . . . 75.0 110.028 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 612' ' ' CYS . . . . . 0.439 ' HB2' ' CE2' ' A' ' 619' ' ' TRP . 19.2 t -48.23 122.36 5.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 72.24 108.288 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -69.92 -27.42 64.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 71.42 110.292 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 614' ' ' ASN . . . . . 0.411 ' ND2' HG22 ' A' ' 561' ' ' VAL . 98.0 m-20 -66.84 -38.87 87.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 64.34 109.28 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 615' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -122.94 -76.89 0.59 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 54.31 108.338 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 616' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 147.69 -17.72 1.44 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.528 1.143 . . . . 75.52 110.976 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -42.9 102.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 0.756 . . . . 75.51 110.3 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 23.9 t -50.63 118.97 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 50.24 109.3 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 619' ' ' TRP . . . . . 0.792 ' CE2' ' HE3' ' A' ' 638' ' ' MET . 41.7 m0 -83.76 -22.56 31.87 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.014 -1.106 . . . . 74.33 108.014 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 620' ' ' GLY . . . . . . . . . . . . . . . 145.89 -116.44 0.89 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.513 1.133 . . . . 34.5 111.001 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 621' ' ' LEU . . . . . 0.659 HD22 ' C ' ' A' ' 621' ' ' LEU . 0.0 OUTLIER -145.66 161.58 39.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 0.747 . . . . 73.11 109.279 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 622' ' ' GLN . . . . . 0.572 ' N ' HD22 ' A' ' 621' ' ' LEU . 1.2 tt0 -93.96 136.82 33.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 75.14 110.28 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 623' ' ' MET . . . . . 0.601 ' SD ' ' CH2' ' A' ' 604' ' ' TRP . 13.9 mtp -119.43 136.55 54.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 74.12 111.008 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 624' ' ' ILE . . . . . 0.484 ' CD1' ' O ' ' A' ' 606' ' ' PRO . 4.6 mp -110.08 132.97 56.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 75.3 109.292 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 625' ' ' TYR . . . . . 0.566 ' C ' ' CD1' ' A' ' 625' ' ' TYR . 0.2 OUTLIER -137.74 117.11 12.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.128 . . . . 55.14 111.024 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 626' ' ' LYS . . . . . 0.505 ' O ' ' CB ' ' A' ' 627' ' ' SER . 0.8 OUTLIER 56.22 22.65 6.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 65.32 109.31 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 627' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.2 p 85.88 42.04 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 51.51 110.038 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 628' ' ' VAL . . . . . 0.772 HG12 ' HG ' ' A' ' 630' ' ' LEU . 53.9 t -127.68 112.53 28.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 64.22 109.278 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 629' ' ' LYS . . . . . 0.486 ' CE ' ' OE1' ' A' ' 622' ' ' GLN . 6.5 mmmm -75.7 100.54 4.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 70.01 109.303 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 630' ' ' LEU . . . . . 0.841 HD22 HG22 ' A' ' 580' ' ' VAL . 30.8 mt -119.01 111.69 36.94 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 64.3 109.343 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 631' ' ' PRO . . . . . 0.772 ' HB2' HD11 ' A' ' 633' ' ' LEU . 18.1 Cg_endo -75.04 136.92 20.96 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.536 1.809 . . . . 75.13 110.964 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 632' ' ' VAL . . . . . 0.843 HG22 HG12 ' A' ' 578' ' ' VAL . 5.1 t -102.13 99.0 7.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.133 . . . . 73.33 109.287 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 633' ' ' LEU . . . . . 0.857 ' N ' HD13 ' A' ' 633' ' ' LEU . 0.0 OUTLIER -102.51 171.77 7.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 73.12 109.34 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 634' ' ' LYS . . . . . 0.452 ' CD ' ' O ' ' A' ' 619' ' ' TRP . 0.0 OUTLIER -105.56 -165.34 1.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 72.02 109.301 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 635' ' ' VAL . . . . . 0.73 HG13 ' CE2' ' A' ' 652' ' ' TRP . 0.0 OUTLIER -112.0 -30.47 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 70.12 109.307 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 636' ' ' ARG . . . . . 0.694 ' O ' HD13 ' A' ' 557' ' ' ILE . 8.9 ptm180 -74.06 -3.2 27.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 71.23 110.314 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 4.8 p -114.5 -11.43 12.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 62.22 109.981 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 638' ' ' MET . . . . . 0.792 ' HE3' ' CE2' ' A' ' 619' ' ' TRP . 29.0 mmt -112.5 133.7 54.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 74.1 111.008 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 639' ' ' LEU . . . . . 0.798 HD21 ' HB3' ' A' ' 646' ' ' ARG . 0.9 OUTLIER -110.3 111.97 23.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 72.22 109.281 -179.938 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 640' ' ' LEU . . . . . 0.658 HD11 ' CE1' ' A' ' 657' ' ' PHE . 2.0 mm? -79.89 112.24 16.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 74.03 109.277 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 641' ' ' GLU . . . . . 0.545 ' HG3' HD22 ' A' ' 555' ' ' LEU . 2.5 mt-10 -74.45 135.66 42.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 63.34 110.304 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 642' ' ' THR . . . . . 0.864 HG21 HD12 ' A' ' 647' ' ' ILE . 7.6 p -141.51 158.65 62.89 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 54.12 110.387 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -18.31 18.87 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.482 1.78 . . . . 72.0 111.019 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -88.7 -7.89 55.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 72.14 110.291 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 126.11 135.67 4.3 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.492 1.12 . . . . 45.32 111.003 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 646' ' ' ARG . . . . . 0.798 ' HB3' HD21 ' A' ' 639' ' ' LEU . 15.5 mtm-85 -43.95 152.64 0.16 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 0.765 . . . . 74.41 110.268 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 647' ' ' ILE . . . . . 0.864 HD12 HG21 ' A' ' 642' ' ' THR . 27.5 mt -135.43 139.36 46.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 73.14 109.318 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 648' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.52 109.68 9.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 63.41 110.29 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 649' ' ' ALA . . . . . . . . . . . . . . . -119.68 169.5 10.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 74.11 109.324 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 650' ' ' LYS . . . . . 0.543 ' C ' HG23 ' A' ' 635' ' ' VAL . 2.2 mtmt -116.62 -4.86 11.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 72.22 109.325 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 651' ' ' LYS . . . . . 0.405 ' HD3' ' N ' ' A' ' 651' ' ' LYS . 0.0 OUTLIER -128.74 133.35 48.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 62.43 109.295 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 652' ' ' TRP . . . . . 0.73 ' CE2' HG13 ' A' ' 635' ' ' VAL . 69.5 m95 -65.02 -13.79 58.79 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.99 -1.115 . . . . 74.14 107.99 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 10.8 t -69.21 -13.82 62.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 63.35 110.005 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 654' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 655' ' ' VAL . 4.5 mmm180 -102.95 -22.79 13.77 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.506 1.129 . . . . 65.22 110.275 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 655' ' ' VAL . . . . . 0.78 HG13 ' CD1' ' A' ' 657' ' ' PHE . 2.2 t -39.94 130.62 1.54 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 72.33 109.319 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 656' ' ' PRO . . . . . 0.471 ' HB2' ' CG ' ' A' ' 547' ' ' PHE . 18.3 Cg_endo -75.01 -52.27 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.507 1.793 . . . . 61.05 111.005 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 657' ' ' PHE . . . . . 0.78 ' CD1' HG13 ' A' ' 655' ' ' VAL . 41.1 p90 -65.26 172.25 3.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 75.3 110.981 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 1.4 m -119.49 149.96 41.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.437 1.086 . . . . 65.34 110.056 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 659' ' ' VAL . . . . . 0.723 HG23 ' HA ' ' A' ' 570' ' ' ARG . 0.1 OUTLIER -149.77 107.12 3.26 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 41.42 109.295 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 660' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 167.63 26.63 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.507 1.793 . . . . 63.11 111.042 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -60.5 160.26 9.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 64.55 109.306 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 662' ' ' PHE . . . . . 0.659 ' CZ ' ' CG ' ' A' ' 667' ' ' HIS . 37.5 t80 -60.54 153.23 23.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 74.02 111.003 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 663' ' ' ASP . . . . . 0.428 ' OD1' ' NH2' ' A' ' 570' ' ' ARG . 11.9 p-10 -134.83 71.49 1.44 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 70.35 109.313 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 664' ' ' PHE . . . . . 0.494 ' O ' ' CB ' ' A' ' 668' ' ' CYS . 82.1 t80 -39.61 -28.75 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 74.3 111.013 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 665' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 663' ' ' ASP . 7.7 mt -58.66 -50.48 73.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 73.13 109.281 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 666' ' ' GLN . . . . . 0.428 ' O ' ' N ' ' A' ' 670' ' ' GLU . 19.0 tt0 -85.23 -48.27 9.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 65.22 110.292 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 667' ' ' HIS . . . . . 0.934 ' CE1' HG11 ' A' ' 580' ' ' VAL . 9.0 t-80 -50.05 -42.59 50.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 72.55 109.616 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 668' ' ' CYS . . . . . 0.494 ' CB ' ' O ' ' A' ' 664' ' ' PHE . 47.8 t -68.67 -47.18 67.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 72.25 108.332 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -65.66 -11.52 45.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 55.21 109.313 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 670' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 666' ' ' GLN . 7.0 mt-10 -115.72 -1.74 12.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 72.14 110.254 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 671' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 667' ' ' HIS . 2.7 m-20 -110.26 -19.84 12.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 72.34 109.333 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 14.9 mt -93.16 -179.35 5.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 65.22 109.28 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 673' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 674' ' ' ASP . 1.1 m -94.17 -3.29 51.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 64.2 109.999 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 674' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 673' ' ' SER . 33.3 t0 -40.37 -33.72 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 72.31 109.275 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 675' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.69 -78.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 61.13 109.29 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 676' ' ' SER . . . . . . . . . . . . . 18.8 m -159.22 154.59 25.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.117 . . . . 74.4 109.995 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 677' ' ' LEU . . . . . 0.6 ' N ' HD12 ' A' ' 677' ' ' LEU . 2.0 mp -85.46 -66.19 0.93 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 71.15 109.314 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 8.7 t0 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 72.53 109.319 -179.979 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 679' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.946 0 N-CA-C 111.01 -0.836 . . . . 54.43 111.01 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -175.68 2.48 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.416 1.745 . . . . 55.42 111.008 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -107.09 15.65 25.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 65.11 109.614 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 545' ' ' MET . . . . . . . . . . . . . 63.5 mtp 42.52 46.08 4.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 74.42 111.001 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 546' ' ' GLN . . . . . 0.437 ' O ' ' NE2' ' A' ' 644' ' ' GLN . 3.2 pt20 -110.92 142.68 42.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 65.03 110.275 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -149.73 101.73 3.25 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 64.33 111.003 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 548' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 141.65 26.92 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.479 1.778 . . . . 53.1 111.001 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 549' ' ' VAL . . . . . 0.596 HG11 ' O ' ' A' ' 658' ' ' SER . 35.3 m -50.02 -45.68 23.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 75.42 109.287 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -53.97 -30.25 46.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 51.5 110.272 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 13.0 m170 -88.69 -26.89 21.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 64.54 109.557 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 552' ' ' VAL . . . . . 0.759 HG21 ' HB3' ' A' ' 657' ' ' PHE . 55.7 t -84.26 124.62 39.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 64.33 109.262 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 553' ' ' GLN . . . . . 0.515 ' OE1' ' CE1' ' A' ' 565' ' ' HIS . 7.7 tt0 -112.51 149.59 32.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 73.51 110.327 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 554' ' ' LEU . . . . . 1.021 HD11 HD23 ' A' ' 569' ' ' LEU . 1.4 mt -93.28 113.63 25.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 74.44 109.289 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 555' ' ' LEU . . . . . 0.808 HD11 ' HB2' ' A' ' 641' ' ' GLU . 0.2 OUTLIER -134.54 -179.92 5.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 65.35 109.33 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 556' ' ' CYS . . . . . 0.548 ' O ' ' N ' ' A' ' 560' ' ' MET . 5.1 t -107.53 102.33 11.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 114.994 -1.003 . . . . 65.45 110.912 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 557' ' ' ILE . . . . . 0.736 HD13 ' O ' ' A' ' 636' ' ' ARG . 1.2 pt -34.71 -34.46 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 74.15 109.311 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 558' ' ' ASN . . . . . 0.506 ' N ' ' O ' ' A' ' 556' ' ' CYS . 3.0 m120 -73.86 -62.31 1.54 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 63.23 109.28 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 559' ' ' CYS . . . . . 0.476 ' O ' ' HB2' ' A' ' 560' ' ' MET . 1.3 m -80.02 -68.33 0.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 62.11 108.308 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 560' ' ' MET . . . . . 0.548 ' N ' ' O ' ' A' ' 556' ' ' CYS . 23.2 mtm 78.07 47.94 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 73.24 111.009 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 561' ' ' VAL . . . . . 0.672 ' O ' ' HB3' ' A' ' 562' ' ' ALA . 0.9 OUTLIER -108.86 -2.86 10.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 73.25 109.309 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 562' ' ' ALA . . . . . 0.672 ' HB3' ' O ' ' A' ' 561' ' ' VAL . . . 83.49 99.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 73.12 109.288 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 563' ' ' VAL . . . . . 0.658 HG12 ' CD1' ' A' ' 587' ' ' TYR . 2.6 m -97.41 -5.35 9.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 72.45 109.349 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . 178.84 -160.91 26.94 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.522 1.139 . . . . 63.42 110.995 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 565' ' ' HIS . . . . . 0.515 ' CE1' ' OE1' ' A' ' 553' ' ' GLN . 14.8 m-70 -125.72 147.73 49.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 0.782 . . . . 74.3 109.611 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 566' ' ' GLY . . . . . 0.61 ' O ' HD11 ' A' ' 569' ' ' LEU . . . -71.51 -13.09 74.1 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.556 1.16 . . . . 63.22 110.999 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 20.3 p -104.73 8.36 34.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 0.783 . . . . 65.41 110.0 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -110.17 -13.64 14.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 74.12 109.303 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 569' ' ' LEU . . . . . 1.021 HD23 HD11 ' A' ' 554' ' ' LEU . 0.2 OUTLIER -88.19 150.91 23.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 61.42 109.264 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 570' ' ' ARG . . . . . 0.687 ' HA ' HG23 ' A' ' 659' ' ' VAL . 1.5 mpt_? -123.83 -175.1 3.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 70.32 110.294 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 571' ' ' LYS . . . . . 0.593 ' HB2' HG22 ' A' ' 659' ' ' VAL . 12.4 ttmt -124.34 158.1 33.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 62.52 109.267 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 572' ' ' VAL . . . . . 0.47 HG12 ' HG2' ' A' ' 573' ' ' GLU . 2.8 t -130.47 104.36 9.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.128 . . . . 71.01 109.321 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 573' ' ' GLU . . . . . 0.47 ' HG2' HG12 ' A' ' 572' ' ' VAL . 24.4 pt-20 41.35 35.59 0.44 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 52.4 110.328 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 41.29 47.43 4.49 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.509 1.13 . . . . 75.41 111.013 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 575' ' ' THR . . . . . 0.433 ' O ' ' CG ' ' A' ' 576' ' ' HIS . 2.1 m -111.69 -44.36 3.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 0.787 . . . . 63.42 110.405 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 576' ' ' HIS . . . . . 0.468 ' O ' HG13 ' A' ' 578' ' ' VAL . 29.8 m80 -159.22 121.09 3.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 74.21 109.606 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 577' ' ' HIS . . . . . 0.753 ' CD2' ' CE3' ' A' ' 652' ' ' TRP . 6.6 m80 -58.48 142.7 48.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 75.14 109.623 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 578' ' ' VAL . . . . . 0.709 HG12 HG22 ' A' ' 632' ' ' VAL . 23.7 m -143.83 108.6 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 62.04 109.315 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 579' ' ' ASN . . . . . 0.737 ' ND2' ' CE1' ' A' ' 584' ' ' PHE . 7.7 t30 -80.38 109.07 14.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 73.23 109.284 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 580' ' ' VAL . . . . . 0.831 HG22 HD22 ' A' ' 630' ' ' LEU . 2.3 t -82.28 149.03 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 70.42 109.295 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 581' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 580' ' ' VAL . 0.3 OUTLIER 161.94 135.19 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 65.03 109.308 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 582' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -43.53 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.487 1.782 . . . . 70.22 110.966 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 583' ' ' ASN . . . . . 0.406 ' OD1' ' N ' ' A' ' 583' ' ' ASN . 0.8 OUTLIER -60.98 -15.31 30.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 75.34 109.326 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 584' ' ' PHE . . . . . 0.737 ' CE1' ' ND2' ' A' ' 579' ' ' ASN . 1.9 t80 -63.45 -34.55 78.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 73.43 111.021 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 585' ' ' SER . . . . . 0.459 ' HA ' ' CE2' ' A' ' 588' ' ' TYR . 13.7 p -57.7 -25.75 60.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 61.13 109.999 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 -87.62 -16.86 33.27 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 73.32 109.265 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 587' ' ' TYR . . . . . 0.658 ' CD1' HG12 ' A' ' 563' ' ' VAL . 5.4 m-85 -92.72 -3.06 55.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 75.44 110.994 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 588' ' ' TYR . . . . . 0.742 ' HE1' HG23 ' A' ' 590' ' ' VAL . 1.7 p90 -155.78 160.13 40.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 73.32 111.022 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 589' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -128.97 124.28 34.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 74.22 109.3 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 590' ' ' VAL . . . . . 0.742 HG23 ' HE1' ' A' ' 588' ' ' TYR . 12.6 t -73.58 134.38 29.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 72.15 109.278 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 30.8 t -59.04 174.41 0.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 63.21 110.006 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 32.5 mtm-85 -76.07 -56.51 4.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 53.51 110.299 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.65 146.11 0.48 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.122 . . . . 54.1 109.318 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -89.61 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.531 1.806 . . . . 75.44 110.985 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 595' ' ' VAL . . . . . 0.476 HG13 ' HG2' ' A' ' 606' ' ' PRO . 41.0 t -102.38 125.58 56.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 54.24 109.331 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 596' ' ' VAL . . . . . . . . . . . . . 2.2 t -135.01 78.36 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 74.34 109.292 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 597' ' ' ILE . . . . . . . . . . . . . 2.5 mt -143.65 148.36 19.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 75.11 109.351 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 598' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -50.16 -55.48 14.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 72.2 109.307 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.14 140.21 35.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 73.04 109.344 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 600' ' ' VAL . . . . . 0.631 HG13 ' HD3' ' A' ' 606' ' ' PRO . 16.4 t -83.83 144.14 10.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.151 . . . . 73.4 109.318 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 601' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -104.16 168.1 9.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 73.32 110.992 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -96.49 -54.69 3.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 51.44 109.32 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -40.07 -36.73 0.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 54.51 109.302 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 604' ' ' TRP . . . . . 0.482 ' CE3' ' HB3' ' A' ' 623' ' ' MET . 0.3 OUTLIER -157.14 156.14 32.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 74.43 108.057 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 605' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.93 162.84 19.86 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 70.2 109.281 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 606' ' ' PRO . . . . . 0.631 ' HD3' HG13 ' A' ' 600' ' ' VAL . 18.4 Cg_endo -74.98 -178.22 4.01 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.454 1.765 . . . . 71.22 111.019 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 607' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 622' ' ' GLN . . . -142.24 -86.11 0.09 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.461 1.101 . . . . 73.11 111.018 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 608' ' ' GLY . . . . . 0.694 ' HA3' HG13 ' A' ' 590' ' ' VAL . . . -160.06 144.83 10.46 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.972 -0.851 . . . . 40.35 110.972 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 21.4 t -52.51 128.18 11.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.494 0.761 . . . . 64.5 109.327 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 610' ' ' ILE . . . . . 0.611 HD11 ' HA ' ' A' ' 622' ' ' GLN . 0.7 OUTLIER -95.73 144.49 10.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.141 . . . . 73.0 109.314 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 611' ' ' SER . . . . . 0.405 ' O ' ' HA ' ' A' ' 588' ' ' TYR . 0.1 OUTLIER -141.77 123.99 15.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 72.54 109.961 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 612' ' ' CYS . . . . . 0.463 ' O ' ' N ' ' A' ' 616' ' ' GLY . 28.2 t -56.25 109.25 0.57 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 65.12 108.312 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 9.3 ttt180 -64.93 -32.6 74.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 74.41 110.288 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 614' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -57.79 -47.68 81.86 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 73.12 109.268 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 615' ' ' CYS . . . . . 0.456 ' SG ' ' N ' ' A' ' 559' ' ' CYS . 1.9 m -118.37 -73.46 0.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 72.31 108.281 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 616' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 154.49 -20.86 0.62 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.483 1.114 . . . . 64.25 111.042 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -42.17 102.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 0.775 . . . . 64.22 110.267 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 41.4 t -53.77 120.98 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 54.15 109.288 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 619' ' ' TRP . . . . . 0.629 ' CE2' ' HE3' ' A' ' 638' ' ' MET . 48.7 m0 -78.95 -41.23 29.82 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.98 -1.119 . . . . 72.43 107.98 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 620' ' ' GLY . . . . . . . . . . . . . . . 158.41 -112.01 0.51 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.5 1.125 . . . . 35.21 110.999 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 621' ' ' LEU . . . . . 0.738 HD22 ' C ' ' A' ' 621' ' ' LEU . 0.0 OUTLIER -147.18 154.23 40.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 0.753 . . . . 72.34 109.239 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 622' ' ' GLN . . . . . 0.621 ' N ' HD22 ' A' ' 621' ' ' LEU . 1.1 tt0 -85.75 135.96 33.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 74.21 110.322 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 623' ' ' MET . . . . . 0.561 ' HG3' HG21 ' A' ' 632' ' ' VAL . 9.2 mmt -115.3 145.35 42.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 73.15 110.988 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 624' ' ' ILE . . . . . 0.652 HD12 ' N ' ' A' ' 624' ' ' ILE . 3.9 mp -114.89 141.01 33.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 73.43 109.26 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 625' ' ' TYR . . . . . 0.565 ' CE2' ' HG3' ' A' ' 626' ' ' LYS . 8.4 t80 -147.77 114.44 6.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 75.24 110.981 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 626' ' ' LYS . . . . . 0.565 ' HG3' ' CE2' ' A' ' 625' ' ' TYR . 0.0 OUTLIER 66.63 17.39 10.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 50.01 109.278 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 627' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.1 p 85.34 39.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.088 . . . . 75.41 110.031 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 628' ' ' VAL . . . . . 0.705 HG12 ' HG ' ' A' ' 630' ' ' LEU . 54.5 t -125.42 123.12 64.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.153 . . . . 62.31 109.324 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 629' ' ' LYS . . . . . 0.411 ' HE3' ' CG1' ' A' ' 624' ' ' ILE . 5.0 mmmm -75.46 99.61 4.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 73.02 109.286 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 630' ' ' LEU . . . . . 0.831 HD22 HG22 ' A' ' 580' ' ' VAL . 32.8 mt -119.68 111.65 35.95 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 72.31 109.289 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 631' ' ' PRO . . . . . 0.745 ' HB2' HD11 ' A' ' 633' ' ' LEU . 18.4 Cg_endo -74.95 135.9 19.79 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.532 1.806 . . . . 73.51 111.001 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 632' ' ' VAL . . . . . 0.788 ' C ' HD13 ' A' ' 633' ' ' LEU . 18.8 t -103.28 100.13 9.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 74.51 109.26 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 633' ' ' LEU . . . . . 0.809 ' N ' HD13 ' A' ' 633' ' ' LEU . 0.0 OUTLIER -101.73 171.6 7.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 74.43 109.309 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 634' ' ' LYS . . . . . 0.439 ' CD ' ' O ' ' A' ' 619' ' ' TRP . 2.8 mtpt -96.09 -176.77 3.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.138 . . . . 72.33 109.311 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 635' ' ' VAL . . . . . 0.835 HG11 ' C ' ' A' ' 651' ' ' LYS . 7.5 p -107.16 -23.83 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 73.21 109.293 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 636' ' ' ARG . . . . . 0.736 ' O ' HD13 ' A' ' 557' ' ' ILE . 8.7 ptp180 -85.88 -4.32 59.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 72.23 110.293 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 4.4 m -109.8 -15.67 14.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 65.12 109.958 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 638' ' ' MET . . . . . 0.629 ' HE3' ' CE2' ' A' ' 619' ' ' TRP . 32.8 mmt -106.47 127.21 53.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 62.04 111.031 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 639' ' ' LEU . . . . . 0.928 HD21 ' HD2' ' A' ' 646' ' ' ARG . 8.6 tp -90.45 141.65 28.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 62.42 109.293 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 640' ' ' LEU . . . . . 0.455 HD13 ' C ' ' A' ' 639' ' ' LEU . 0.6 OUTLIER -108.99 93.7 4.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 73.23 109.287 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 641' ' ' GLU . . . . . 0.808 ' HB2' HD11 ' A' ' 555' ' ' LEU . 7.0 mt-10 -73.57 120.93 19.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 73.45 110.292 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 642' ' ' THR . . . . . 0.442 HG21 HD12 ' A' ' 647' ' ' ILE . 0.1 OUTLIER -131.69 159.76 70.49 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 72.15 110.404 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 1.69 7.48 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.442 1.759 . . . . 75.1 110.964 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 644' ' ' GLN . . . . . 0.437 ' NE2' ' O ' ' A' ' 546' ' ' GLN . 5.8 mt-30 -111.35 -4.7 14.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 62.45 110.309 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 123.79 144.16 6.44 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.496 1.122 . . . . 23.0 110.994 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 646' ' ' ARG . . . . . 0.928 ' HD2' HD21 ' A' ' 639' ' ' LEU . 51.7 mtm-85 -58.86 152.15 19.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 0.764 . . . . 72.0 110.278 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 647' ' ' ILE . . . . . 0.442 HD12 HG21 ' A' ' 642' ' ' THR . 15.6 mt -137.28 127.23 37.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 74.21 109.308 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 648' ' ' GLN . . . . . 0.713 ' OE1' HD12 ' A' ' 557' ' ' ILE . 0.0 OUTLIER -120.82 95.38 4.69 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.143 . . . . 54.34 110.285 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 649' ' ' ALA . . . . . . . . . . . . . . . -88.73 176.08 7.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 53.02 109.261 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 26.2 mttm -111.53 -29.56 7.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 73.43 109.31 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 651' ' ' LYS . . . . . 0.835 ' C ' HG11 ' A' ' 635' ' ' VAL . 0.6 OUTLIER -126.44 155.42 42.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.437 1.086 . . . . 74.3 109.298 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 652' ' ' TRP . . . . . 0.753 ' CE3' ' CD2' ' A' ' 577' ' ' HIS . 64.9 m95 -73.36 -6.88 49.03 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.967 -1.123 . . . . 73.02 107.967 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 28.8 t -73.0 -19.24 61.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 72.1 110.024 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 654' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 655' ' ' VAL . 3.2 mmm180 -101.57 -15.41 17.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 74.22 110.294 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 655' ' ' VAL . . . . . 0.674 HG23 ' HA ' ' A' ' 652' ' ' TRP . 2.3 t -40.0 127.06 1.62 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.436 1.085 . . . . 63.43 109.266 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 656' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -50.85 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.451 1.764 . . . . 65.44 110.999 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 657' ' ' PHE . . . . . 0.759 ' HB3' HG21 ' A' ' 552' ' ' VAL . 52.5 p90 -67.5 163.25 21.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 71.35 111.042 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 658' ' ' SER . . . . . 0.596 ' O ' HG11 ' A' ' 549' ' ' VAL . 0.7 OUTLIER -110.37 150.28 29.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 73.32 109.988 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 659' ' ' VAL . . . . . 0.687 HG23 ' HA ' ' A' ' 570' ' ' ARG . 0.1 OUTLIER -150.78 104.49 3.04 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 72.1 109.329 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 660' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 155.88 43.03 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.512 1.796 . . . . 72.1 111.01 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -42.52 161.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 74.15 109.313 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 662' ' ' PHE . . . . . 0.534 ' CZ ' ' CG ' ' A' ' 667' ' ' HIS . 27.5 t80 -78.36 115.8 18.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 72.0 110.988 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 663' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.25 106.95 6.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.567 1.167 . . . . 45.14 109.332 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 664' ' ' PHE . . . . . 0.455 ' O ' ' CB ' ' A' ' 668' ' ' CYS . 21.7 t80 -72.52 -34.46 67.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 74.45 110.988 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 22.3 mt -62.58 -54.79 34.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 75.43 109.29 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 666' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 669' ' ' ALA . 24.1 tp60 -61.39 -59.28 5.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 73.2 110.304 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 667' ' ' HIS . . . . . 0.534 ' CG ' ' CZ ' ' A' ' 662' ' ' PHE . 1.9 t60 -50.37 -36.99 34.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 63.11 109.629 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 668' ' ' CYS . . . . . 0.455 ' CB ' ' O ' ' A' ' 664' ' ' PHE . 42.3 t -72.79 -29.84 63.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 52.44 108.288 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 669' ' ' ALA . . . . . 0.7 ' O ' HD21 ' A' ' 675' ' ' LEU . . . -74.54 -11.54 60.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 71.4 109.298 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 670' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -115.77 -2.21 12.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 65.44 110.274 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -106.89 -15.95 14.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 71.42 109.289 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 15.0 mt -89.38 -176.19 4.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.117 . . . . 65.45 109.371 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -100.8 7.77 43.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 71.11 110.011 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -57.44 -18.33 17.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.117 . . . . 73.34 109.299 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 675' ' ' LEU . . . . . 0.7 HD21 ' O ' ' A' ' 669' ' ' ALA . 0.4 OUTLIER -83.19 -72.37 0.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 61.33 109.319 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 676' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -159.76 147.86 17.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.098 . . . . 65.22 109.986 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 11.4 mt -73.79 -64.29 1.03 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 75.44 109.248 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 21.8 t0 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 73.23 109.315 179.994 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 679' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 110.983 -0.847 . . . . 73.31 110.983 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -83.61 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.521 1.8 . . . . 71.52 110.967 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 30.3 m80 -116.54 136.9 52.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 75.12 109.54 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 545' ' ' MET . . . . . 0.403 ' C ' ' CE1' ' A' ' 547' ' ' PHE . 70.2 mtp -91.57 75.05 5.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 63.34 111.018 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 546' ' ' GLN . . . . . 0.605 ' C ' ' CD1' ' A' ' 547' ' ' PHE . 10.0 mt-30 -124.11 140.05 53.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 55.31 110.291 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 547' ' ' PHE . . . . . 0.645 ' CD1' ' N ' ' A' ' 547' ' ' PHE . 0.1 OUTLIER -153.12 98.67 2.75 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 70.32 110.984 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 548' ' ' PRO . . . . . 0.527 ' O ' HG23 ' A' ' 552' ' ' VAL . 18.3 Cg_endo -74.97 140.81 25.99 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.482 1.78 . . . . 72.4 111.003 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 549' ' ' VAL . . . . . 0.627 HG12 ' HB2' ' A' ' 657' ' ' PHE . 31.5 m -52.51 -46.75 48.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 72.41 109.3 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 550' ' ' GLU . . . . . 0.408 ' N ' HG23 ' A' ' 549' ' ' VAL . 2.4 pt-20 -54.21 -24.12 17.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 73.13 110.274 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 551' ' ' HIS . . . . . 0.508 ' CG ' ' HG2' ' A' ' 548' ' ' PRO . 35.7 m170 -99.54 -24.53 14.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.581 1.175 . . . . 73.11 109.592 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 552' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 548' ' ' PRO . 79.2 t -91.05 117.99 35.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 72.43 109.314 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 553' ' ' GLN . . . . . 0.594 ' HB3' HD11 ' A' ' 555' ' ' LEU . 9.2 tt0 -99.59 168.46 9.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 73.01 110.309 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 554' ' ' LEU . . . . . 0.921 HD11 HD23 ' A' ' 569' ' ' LEU . 1.9 mt -108.26 108.56 19.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 64.15 109.284 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 555' ' ' LEU . . . . . 0.85 HD12 ' N ' ' A' ' 555' ' ' LEU . 0.1 OUTLIER -121.87 174.34 6.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 63.22 109.295 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 556' ' ' CYS . . . . . 0.565 ' O ' ' N ' ' A' ' 560' ' ' MET . 3.8 t -107.46 108.57 19.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 114.992 -1.004 . . . . 72.51 110.95 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 557' ' ' ILE . . . . . 0.835 HD13 ' O ' ' A' ' 636' ' ' ARG . 0.7 OUTLIER -35.23 -32.64 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 64.13 109.306 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 558' ' ' ASN . . . . . 0.527 ' N ' ' O ' ' A' ' 556' ' ' CYS . 4.4 m-20 -84.93 -67.06 0.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 75.13 109.309 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 559' ' ' CYS . . . . . 0.488 ' O ' ' HB2' ' A' ' 560' ' ' MET . 4.1 m -64.08 -64.52 0.87 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 71.11 108.298 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 560' ' ' MET . . . . . 0.565 ' N ' ' O ' ' A' ' 556' ' ' CYS . 10.6 mtm 68.63 42.06 1.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 64.44 110.953 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 561' ' ' VAL . . . . . 0.464 ' O ' HG23 ' A' ' 561' ' ' VAL . 0.9 OUTLIER -116.56 10.96 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 72.42 109.334 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 562' ' ' ALA . . . . . 0.416 ' HA ' ' HG ' ' A' ' 555' ' ' LEU . . . 66.11 109.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 51.24 109.285 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 563' ' ' VAL . . . . . 0.79 HG12 ' CD1' ' A' ' 587' ' ' TYR . 0.8 OUTLIER -103.34 -12.03 9.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 72.21 109.288 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -167.17 -142.25 3.39 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.5 1.125 . . . . 65.22 110.991 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 565' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -150.8 155.19 38.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 0.748 . . . . 72.43 109.606 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . -74.39 -12.43 82.11 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.531 1.144 . . . . 71.35 111.024 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 3.1 p -108.61 12.75 25.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 0.731 . . . . 72.5 110.004 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -112.59 -32.33 6.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 71.3 109.295 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 569' ' ' LEU . . . . . 0.921 HD23 HD11 ' A' ' 554' ' ' LEU . 0.1 OUTLIER -76.92 170.39 16.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 63.34 109.292 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 570' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -146.66 -175.34 4.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 73.45 110.301 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 571' ' ' LYS . . . . . 0.55 ' HD3' ' CE1' ' A' ' 577' ' ' HIS . 19.7 ttpt -126.75 158.64 35.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.127 . . . . 71.35 109.263 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 572' ' ' VAL . . . . . 1.013 HG23 HG21 ' A' ' 578' ' ' VAL . 2.4 t -121.35 111.16 30.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.163 . . . . 53.33 109.287 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 573' ' ' GLU . . . . . 0.417 ' HG2' HG12 ' A' ' 572' ' ' VAL . 6.3 pt-20 40.12 37.74 0.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 75.24 110.274 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 41.59 47.93 4.84 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.511 1.132 . . . . 74.51 110.978 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 2.7 m -119.21 -49.74 2.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 0.757 . . . . 50.2 110.409 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 23.1 m80 -146.47 106.15 3.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 64.43 109.615 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 577' ' ' HIS . . . . . 0.55 ' CE1' ' HD3' ' A' ' 571' ' ' LYS . 29.8 m-70 -46.41 126.72 8.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 75.21 109.556 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 578' ' ' VAL . . . . . 1.113 HG12 HG22 ' A' ' 632' ' ' VAL . 2.5 m -125.45 123.53 65.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 74.22 109.333 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 579' ' ' ASN . . . . . 0.637 ' ND2' HD23 ' A' ' 633' ' ' LEU . 0.9 OUTLIER -93.82 128.14 39.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 74.05 109.262 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 580' ' ' VAL . . . . . 0.511 HG11 ' HE1' ' A' ' 667' ' ' HIS . 2.4 t -104.64 134.15 46.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 62.45 109.322 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 581' ' ' ASN . . . . . 0.47 ' CB ' ' HB2' ' A' ' 584' ' ' PHE . 2.1 m120 176.38 130.05 0.17 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.463 1.102 . . . . 65.24 109.318 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 582' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -36.21 2.65 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.465 1.771 . . . . 74.54 110.983 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 583' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -75.96 -2.5 30.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 71.21 109.328 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 584' ' ' PHE . . . . . 0.605 ' CE2' HD21 ' A' ' 633' ' ' LEU . 3.4 t80 -71.9 -31.96 66.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 73.11 111.026 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 585' ' ' SER . . . . . 0.516 ' HA ' ' CE2' ' A' ' 588' ' ' TYR . 10.2 p -59.71 -21.4 60.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 73.42 109.953 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -87.39 -16.88 33.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 73.14 109.303 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 587' ' ' TYR . . . . . 0.79 ' CD1' HG12 ' A' ' 563' ' ' VAL . 10.4 m-85 -96.08 6.39 48.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 71.41 110.961 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 588' ' ' TYR . . . . . 0.607 ' HE1' HG23 ' A' ' 590' ' ' VAL . 2.0 p90 -165.53 157.6 14.94 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.457 1.098 . . . . 61.53 111.054 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 589' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -127.86 122.37 32.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 75.35 109.277 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 590' ' ' VAL . . . . . 0.753 HG13 ' HA3' ' A' ' 608' ' ' GLY . 16.4 t -74.71 133.57 31.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 73.12 109.306 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 13.0 t -56.58 173.66 0.18 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 75.12 109.945 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 67.7 mtt180 -86.91 -41.85 13.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 73.44 110.337 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -42.41 155.47 0.25 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 74.54 109.303 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -89.58 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.498 1.788 . . . . 72.42 111.045 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 595' ' ' VAL . . . . . 0.448 ' CG2' ' HG2' ' A' ' 606' ' ' PRO . 41.1 t -107.2 126.16 63.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 72.02 109.303 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 596' ' ' VAL . . . . . . . . . . . . . 2.5 t -132.49 78.28 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 53.02 109.298 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 597' ' ' ILE . . . . . 0.496 ' CG2' ' N ' ' A' ' 598' ' ' ASN . 2.6 mt -141.1 163.98 20.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 72.22 109.344 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 598' ' ' ASN . . . . . 0.496 ' N ' ' CG2' ' A' ' 597' ' ' ILE . 51.6 m-20 -76.48 -50.56 13.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 61.32 109.338 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -133.48 143.51 48.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 75.41 109.359 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 600' ' ' VAL . . . . . . . . . . . . . 9.4 t -83.12 156.08 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 72.23 109.323 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 601' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -123.65 167.65 13.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 73.13 111.049 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 602' ' ' LYS . . . . . 0.406 ' N ' ' HD3' ' A' ' 602' ' ' LYS . 0.1 OUTLIER -103.14 -57.61 2.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 71.55 109.318 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -40.52 -31.68 0.16 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.122 . . . . 63.44 109.357 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 604' ' ' TRP . . . . . 0.571 ' HZ3' HG11 ' A' ' 578' ' ' VAL . 0.5 OUTLIER -156.61 166.15 34.23 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.01 -1.108 . . . . 74.33 108.01 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 605' ' ' LYS . . . . . . . . . . . . . 16.2 pttt -117.0 165.65 14.9 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 72.2 109.319 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 606' ' ' PRO . . . . . 0.448 ' HG2' ' CG2' ' A' ' 595' ' ' VAL . 18.3 Cg_endo -74.93 165.71 30.78 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.508 1.793 . . . . 60.01 110.998 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 607' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 622' ' ' GLN . . . -130.66 -101.78 0.92 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.498 1.124 . . . . 70.32 110.99 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 608' ' ' GLY . . . . . 0.753 ' HA3' HG13 ' A' ' 590' ' ' VAL . . . -146.73 146.49 16.48 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.94 -0.864 . . . . 51.01 110.94 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 37.2 t -55.08 124.61 8.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 0.764 . . . . 65.24 109.266 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 610' ' ' ILE . . . . . 0.556 HD11 ' HA ' ' A' ' 622' ' ' GLN . 0.7 OUTLIER -92.59 143.79 10.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 70.41 109.3 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.83 120.7 8.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 70.52 109.987 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 612' ' ' CYS . . . . . 0.503 ' HB2' ' CE2' ' A' ' 619' ' ' TRP . 37.8 t -47.84 121.1 3.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 73.33 108.297 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 8.3 ttt-85 -70.27 -27.82 64.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 75.42 110.312 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 614' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -66.42 -38.15 86.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 74.14 109.316 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 615' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -122.14 -76.05 0.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 74.05 108.294 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 616' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 148.46 -17.0 1.29 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.504 1.128 . . . . 54.03 111.047 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -42.09 102.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 0.748 . . . . 72.53 110.323 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 618' ' ' VAL . . . . . 0.446 ' O ' ' NZ ' ' A' ' 634' ' ' LYS . 25.0 t -53.98 103.42 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 55.23 109.298 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 619' ' ' TRP . . . . . 0.702 ' CE2' ' HE3' ' A' ' 638' ' ' MET . 37.0 m0 -62.5 -49.62 74.65 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.021 -1.103 . . . . 62.13 108.021 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 620' ' ' GLY . . . . . . . . . . . . . . . 174.56 -111.9 0.38 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.532 1.145 . . . . 65.35 110.947 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 621' ' ' LEU . . . . . 0.755 HD22 ' C ' ' A' ' 621' ' ' LEU . 0.0 OUTLIER -150.61 155.0 38.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 0.776 . . . . 64.54 109.253 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 622' ' ' GLN . . . . . 0.633 ' N ' HD22 ' A' ' 621' ' ' LEU . 0.9 OUTLIER -87.53 132.75 33.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 63.14 110.283 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 623' ' ' MET . . . . . 0.555 ' HB3' ' CE3' ' A' ' 604' ' ' TRP . 10.1 mmt -109.28 141.39 41.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 74.13 110.97 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 624' ' ' ILE . . . . . . . . . . . . . 4.4 mp -115.08 117.34 55.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 71.23 109.3 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 625' ' ' TYR . . . . . 0.599 ' C ' ' CD1' ' A' ' 625' ' ' TYR . 0.1 OUTLIER -113.09 115.42 28.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 64.43 111.029 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 626' ' ' LYS . . . . . 0.506 ' HE2' ' CA ' ' A' ' 626' ' ' LYS . 0.8 OUTLIER 60.35 22.41 11.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 71.21 109.292 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 627' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.2 p 84.29 42.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 40.14 109.993 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 628' ' ' VAL . . . . . 0.886 HG12 ' HG ' ' A' ' 630' ' ' LEU . 53.4 t -126.38 112.7 30.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 74.44 109.315 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 6.0 mmmm -62.4 98.23 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 72.5 109.296 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 630' ' ' LEU . . . . . 0.886 ' HG ' HG12 ' A' ' 628' ' ' VAL . 96.4 mt -125.82 112.09 24.82 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 61.24 109.28 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 631' ' ' PRO . . . . . 0.445 ' HA ' ' HA ' ' A' ' 622' ' ' GLN . 18.4 Cg_endo -74.98 162.18 37.6 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.473 1.775 . . . . 52.42 110.971 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 632' ' ' VAL . . . . . 1.113 HG22 HG12 ' A' ' 578' ' ' VAL . 21.7 t -134.78 102.34 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 75.41 109.32 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 633' ' ' LEU . . . . . 0.767 ' N ' HD13 ' A' ' 633' ' ' LEU . 0.1 OUTLIER -98.44 171.86 7.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 54.2 109.315 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 634' ' ' LYS . . . . . 0.533 ' HZ3' ' HA ' ' A' ' 619' ' ' TRP . 2.9 mtmm -105.4 -172.99 2.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 74.33 109.29 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 635' ' ' VAL . . . . . 0.924 HG11 ' C ' ' A' ' 651' ' ' LYS . 7.0 p -109.19 -12.97 10.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 74.14 109.302 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 636' ' ' ARG . . . . . 0.835 ' O ' HD13 ' A' ' 557' ' ' ILE . 0.2 OUTLIER -80.71 -35.73 33.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 75.43 110.288 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 1.3 t -89.79 -7.9 53.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.579 1.174 . . . . 73.15 110.037 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 638' ' ' MET . . . . . 0.702 ' HE3' ' CE2' ' A' ' 619' ' ' TRP . 32.9 mmt -109.96 124.72 51.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 71.11 111.018 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 639' ' ' LEU . . . . . 0.75 HD21 ' HB3' ' A' ' 646' ' ' ARG . 0.6 OUTLIER -100.04 142.67 31.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 74.14 109.307 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 640' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -106.68 119.12 38.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 72.53 109.324 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 641' ' ' GLU . . . . . 0.495 ' CD ' HD21 ' A' ' 555' ' ' LEU . 8.6 mt-10 -90.3 128.56 36.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 75.42 110.318 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 642' ' ' THR . . . . . 0.564 HG21 HD12 ' A' ' 647' ' ' ILE . 0.5 OUTLIER -140.29 160.41 59.91 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 55.51 110.346 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 1.94 7.18 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.454 1.765 . . . . 75.11 110.995 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 644' ' ' GLN . . . . . 0.443 ' OE1' ' CE2' ' A' ' 547' ' ' PHE . 15.7 mt-30 -107.44 -9.48 15.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 75.44 110.277 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 125.16 143.69 6.12 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.456 1.098 . . . . 74.21 111.007 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 646' ' ' ARG . . . . . 0.75 ' HB3' HD21 ' A' ' 639' ' ' LEU . 51.3 mtm180 -50.74 150.6 2.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 0.787 . . . . 72.04 110.328 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 647' ' ' ILE . . . . . 0.564 HD12 HG21 ' A' ' 642' ' ' THR . 51.2 mt -136.71 120.21 22.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 74.35 109.308 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 648' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.48 110.62 16.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 70.03 110.335 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 649' ' ' ALA . . . . . . . . . . . . . . . -120.63 154.36 35.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.089 . . . . 31.54 109.28 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 8.9 mttp -98.71 9.02 44.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 72.1 109.307 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 651' ' ' LYS . . . . . 0.924 ' C ' HG11 ' A' ' 635' ' ' VAL . 0.9 OUTLIER -145.79 138.85 26.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 73.53 109.258 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 652' ' ' TRP . . . . . 0.546 ' N ' HG11 ' A' ' 635' ' ' VAL . 42.0 m95 -70.79 -9.25 57.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 72.42 107.994 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 42.3 m -65.87 -10.49 38.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 73.03 109.962 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 654' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 655' ' ' VAL . 5.1 mmt180 -106.77 -23.33 12.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 74.32 110.273 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 655' ' ' VAL . . . . . 0.769 HG13 ' CD2' ' A' ' 657' ' ' PHE . 2.6 t -40.24 117.38 1.33 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 62.34 109.28 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 656' ' ' PRO . . . . . 0.505 ' HB2' ' CG ' ' A' ' 547' ' ' PHE . 18.5 Cg_endo -74.9 -42.44 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.501 1.79 . . . . 74.43 111.006 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 657' ' ' PHE . . . . . 0.895 ' CE1' HG22 ' A' ' 659' ' ' VAL . 37.7 p90 -69.52 155.31 40.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 72.11 110.965 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 658' ' ' SER . . . . . 0.503 ' O ' HG11 ' A' ' 549' ' ' VAL . 0.7 OUTLIER -85.69 146.03 27.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 72.33 109.976 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 659' ' ' VAL . . . . . 0.895 HG22 ' CE1' ' A' ' 657' ' ' PHE . 2.0 t -126.53 100.53 28.64 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 72.55 109.303 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 660' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 147.36 34.04 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.451 1.764 . . . . 75.4 111.014 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 661' ' ' ASP . . . . . 0.404 ' HA ' ' O ' ' A' ' 571' ' ' LYS . 5.0 p-10 -70.1 169.38 13.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 71.24 109.317 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 662' ' ' PHE . . . . . 0.674 ' CZ ' ' CG ' ' A' ' 667' ' ' HIS . 35.2 t80 -83.42 102.54 12.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.1 . . . . 74.32 110.98 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 663' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -80.7 93.52 6.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 73.34 109.309 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 664' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -43.47 -31.54 0.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 62.43 110.971 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 87.7 mt -68.43 -60.38 2.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 64.53 109.279 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 666' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 669' ' ' ALA . 10.0 tt0 -55.38 -56.1 24.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 74.35 110.307 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 667' ' ' HIS . . . . . 0.674 ' CG ' ' CZ ' ' A' ' 662' ' ' PHE . 20.3 t60 -47.36 -49.1 25.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 74.23 109.567 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 668' ' ' CYS . . . . . . . . . . . . . 6.7 m -62.07 -32.06 72.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.155 . . . . 75.12 108.342 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 669' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 666' ' ' GLN . . . -77.23 -11.48 59.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 72.31 109.304 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 670' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -115.75 -2.75 12.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 74.53 110.285 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 671' ' ' ASN . . . . . 0.577 ' ND2' ' CD2' ' A' ' 667' ' ' HIS . 3.3 m-20 -98.94 -46.8 5.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 75.54 109.341 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 672' ' ' LEU . . . . . 0.673 HD23 ' N ' ' A' ' 672' ' ' LEU . 0.7 OUTLIER -88.54 -172.77 3.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 74.25 109.3 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 1.7 m -136.16 42.03 2.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 63.11 109.981 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -73.44 -16.56 61.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 70.52 109.282 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 675' ' ' LEU . . . . . 0.491 ' H ' HD22 ' A' ' 675' ' ' LEU . 0.6 OUTLIER -74.31 -60.84 2.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 64.05 109.324 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 676' ' ' SER . . . . . 0.721 ' C ' HD13 ' A' ' 677' ' ' LEU . 4.0 m -173.39 174.84 3.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 74.35 110.024 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 677' ' ' LEU . . . . . 0.721 HD13 ' C ' ' A' ' 676' ' ' SER . 0.1 OUTLIER -115.24 -37.75 4.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 64.11 109.298 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 6.3 t70 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 74.24 109.324 -179.997 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 679' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 110.992 -0.843 . . . . 62.24 110.992 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 136.47 20.53 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.502 1.79 . . . . 71.42 111.023 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 24.8 m170 -91.36 -29.4 17.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 73.32 109.542 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 545' ' ' MET . . . . . . . . . . . . . 18.9 mmm 40.31 52.93 2.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 74.14 111.028 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 546' ' ' GLN . . . . . 0.522 ' C ' ' CD1' ' A' ' 547' ' ' PHE . 2.8 pt20 -115.3 138.84 50.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.15 . . . . 73.32 110.309 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 547' ' ' PHE . . . . . 0.582 ' CD1' ' N ' ' A' ' 547' ' ' PHE . 0.7 OUTLIER -145.56 103.03 4.27 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 74.3 110.96 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 548' ' ' PRO . . . . . 0.454 ' HB2' ' CG ' ' A' ' 550' ' ' GLU . 18.3 Cg_endo -75.03 141.05 26.07 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.444 1.76 . . . . 74.1 110.99 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 549' ' ' VAL . . . . . 0.534 HG12 ' HB2' ' A' ' 657' ' ' PHE . 31.2 m -49.16 -42.57 15.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 74.14 109.305 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 550' ' ' GLU . . . . . 0.454 ' CG ' ' HB2' ' A' ' 548' ' ' PRO . 2.9 pt-20 -54.35 -33.88 59.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 74.52 110.272 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -82.49 -26.73 32.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 74.14 109.596 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 552' ' ' VAL . . . . . 0.72 HG11 ' CD2' ' A' ' 657' ' ' PHE . 45.9 t -87.42 121.49 38.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 73.33 109.303 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 553' ' ' GLN . . . . . 0.537 HE21 ' CD2' ' A' ' 565' ' ' HIS . 32.8 tt0 -110.85 145.03 38.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 65.11 110.278 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 554' ' ' LEU . . . . . 0.988 HD11 HD23 ' A' ' 569' ' ' LEU . 1.3 mt -86.08 113.18 21.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 71.34 109.277 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 555' ' ' LEU . . . . . 0.856 HD11 ' HB2' ' A' ' 641' ' ' GLU . 0.2 OUTLIER -133.81 -179.85 5.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 65.22 109.265 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 556' ' ' CYS . . . . . 0.548 ' O ' ' N ' ' A' ' 560' ' ' MET . 5.1 t -107.26 102.49 11.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.008 -0.996 . . . . 52.23 110.895 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 557' ' ' ILE . . . . . 0.784 HD13 ' O ' ' A' ' 636' ' ' ARG . 1.2 pt -35.62 -33.37 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 72.44 109.298 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 558' ' ' ASN . . . . . 0.501 ' N ' ' O ' ' A' ' 556' ' ' CYS . 2.9 m120 -76.38 -62.56 1.58 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 71.44 109.336 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 559' ' ' CYS . . . . . 0.45 ' O ' ' HB2' ' A' ' 560' ' ' MET . 11.6 m -76.04 -67.94 0.63 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.521 1.138 . . . . 64.15 108.278 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 560' ' ' MET . . . . . 0.548 ' N ' ' O ' ' A' ' 556' ' ' CYS . 24.9 mtm 76.57 48.55 0.07 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.474 1.109 . . . . 64.32 111.032 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 561' ' ' VAL . . . . . 0.656 ' O ' ' HB3' ' A' ' 562' ' ' ALA . 1.0 OUTLIER -113.59 -2.71 10.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 55.14 109.264 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 562' ' ' ALA . . . . . 0.817 ' CA ' HD23 ' A' ' 555' ' ' LEU . . . 83.39 108.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.145 . . . . 64.31 109.249 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 563' ' ' VAL . . . . . 0.679 HG12 ' CD1' ' A' ' 587' ' ' TYR . 1.6 m -105.92 -8.24 10.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 71.21 109.28 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -178.29 -159.93 23.73 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.494 1.121 . . . . 63.4 110.995 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 565' ' ' HIS . . . . . 0.537 ' CD2' HE21 ' A' ' 553' ' ' GLN . 70.7 m80 -126.97 145.21 50.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.537 0.786 . . . . 73.23 109.57 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . -75.8 0.54 61.42 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.498 1.124 . . . . 71.42 111.008 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 567' ' ' SER . . . . . 0.513 ' CB ' HG23 ' A' ' 549' ' ' VAL . 24.9 p -118.79 8.24 11.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 0.759 . . . . 72.44 110.011 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -111.96 -17.01 12.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 43.34 109.276 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 569' ' ' LEU . . . . . 0.988 HD23 HD11 ' A' ' 554' ' ' LEU . 0.1 OUTLIER -87.51 163.84 16.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 71.34 109.284 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 570' ' ' ARG . . . . . 0.404 ' CD ' ' HA ' ' A' ' 662' ' ' PHE . 48.7 mtt-85 -147.19 177.63 9.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 72.55 110.282 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 571' ' ' LYS . . . . . 0.57 ' HD3' ' CE1' ' A' ' 577' ' ' HIS . 20.9 mtmt -108.1 119.87 40.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 73.51 109.263 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 572' ' ' VAL . . . . . 0.769 HG11 ' CE3' ' A' ' 604' ' ' TRP . 2.5 t -77.97 114.94 19.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 75.25 109.255 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 573' ' ' GLU . . . . . 0.569 ' HG2' HG12 ' A' ' 572' ' ' VAL . 13.1 pt-20 45.69 34.6 1.82 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 73.42 110.341 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 46.02 41.36 10.78 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.518 1.136 . . . . 72.11 110.978 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 1.8 m -108.64 -53.97 2.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 0.736 . . . . 73.13 110.402 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 14.6 m-70 -147.54 144.31 28.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 65.32 109.602 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 577' ' ' HIS . . . . . 0.726 ' CG ' ' CE3' ' A' ' 652' ' ' TRP . 16.3 m-70 -70.86 128.57 36.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 74.31 109.6 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 578' ' ' VAL . . . . . 0.861 HG12 ' HA ' ' A' ' 632' ' ' VAL . 15.6 m -137.11 128.05 40.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 54.33 109.275 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 579' ' ' ASN . . . . . 0.525 ' ND2' ' CE1' ' A' ' 584' ' ' PHE . 11.0 t30 -91.83 125.39 36.52 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 73.32 109.302 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 580' ' ' VAL . . . . . 0.974 HG11 ' CE1' ' A' ' 667' ' ' HIS . 2.5 t -100.08 129.74 50.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 73.41 109.299 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 581' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 176.25 141.85 0.22 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 74.12 109.305 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 582' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -42.49 0.5 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.466 1.771 . . . . 60.2 111.015 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 583' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -58.88 -16.66 18.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 63.31 109.29 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 584' ' ' PHE . . . . . 0.525 ' CE1' ' ND2' ' A' ' 579' ' ' ASN . 1.6 t80 -63.51 -33.49 75.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.111 . . . . 75.3 110.955 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 47.8 t -60.11 -28.66 68.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 60.41 109.966 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -87.04 -7.6 57.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 54.13 109.299 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 587' ' ' TYR . . . . . 0.679 ' CD1' HG12 ' A' ' 563' ' ' VAL . 2.4 m-85 -102.01 0.43 35.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 61.41 110.977 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 588' ' ' TYR . . . . . 0.744 ' HE1' HG23 ' A' ' 590' ' ' VAL . 0.9 OUTLIER -162.09 158.55 24.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 73.23 111.048 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 589' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -132.76 117.59 18.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 74.34 109.297 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 590' ' ' VAL . . . . . 0.744 HG23 ' HE1' ' A' ' 588' ' ' TYR . 12.9 t -72.57 141.65 16.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.127 . . . . 72.33 109.31 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 8.9 t -50.43 155.32 1.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 71.24 109.962 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 61.6 mtm-85 -52.74 -64.79 0.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 65.14 110.263 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -41.35 150.47 0.33 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 74.31 109.305 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -72.08 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.505 1.792 . . . . 71.51 111.013 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 55.3 t -126.69 120.98 57.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 72.41 109.34 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 596' ' ' VAL . . . . . . . . . . . . . 2.2 t -135.82 91.31 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 74.33 109.3 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 597' ' ' ILE . . . . . 0.674 HD11 ' CD1' ' A' ' 621' ' ' LEU . 3.3 mm -137.78 165.12 27.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.158 . . . . 73.1 109.301 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 598' ' ' ASN . . . . . 0.477 ' N ' HG22 ' A' ' 597' ' ' ILE . 3.1 p30 -96.11 -49.04 5.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 74.32 109.258 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 599' ' ' LYS . . . . . 0.556 ' HE3' ' CD2' ' A' ' 601' ' ' PHE . 0.0 OUTLIER -107.04 141.27 38.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 71.31 109.338 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 600' ' ' VAL . . . . . . . . . . . . . 16.7 t -104.49 152.86 6.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 64.13 109.309 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 601' ' ' PHE . . . . . 0.556 ' CD2' ' HE3' ' A' ' 599' ' ' LYS . 26.0 m-85 -119.88 167.3 12.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 74.12 111.042 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 602' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 603' ' ' ASP . 0.0 OUTLIER -106.96 -52.47 2.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 75.32 109.287 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 603' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 602' ' ' LYS . 37.1 m-20 -40.31 -41.88 1.43 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 72.32 109.307 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 604' ' ' TRP . . . . . 0.769 ' CE3' HG11 ' A' ' 572' ' ' VAL . 0.5 OUTLIER -157.16 165.55 35.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 71.24 108.024 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 605' ' ' LYS . . . . . . . . . . . . . 14.9 ptmt -105.45 156.08 36.93 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 74.24 109.351 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 606' ' ' PRO . . . . . 0.437 ' CB ' HG13 ' A' ' 597' ' ' ILE . 18.3 Cg_endo -75.0 175.0 11.82 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.465 1.771 . . . . 71.43 110.967 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 607' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 622' ' ' GLN . . . -136.97 -95.87 0.42 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.474 1.109 . . . . 62.33 110.988 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 608' ' ' GLY . . . . . 0.504 ' HA3' HG13 ' A' ' 590' ' ' VAL . . . -158.34 147.71 15.88 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 111.023 -0.831 . . . . 65.31 111.023 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 47.4 t -56.91 123.59 8.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.447 0.734 . . . . 74.34 109.303 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 610' ' ' ILE . . . . . 0.561 HG23 ' CD1' ' A' ' 588' ' ' TYR . 0.9 OUTLIER -91.2 144.67 8.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 70.41 109.318 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.31 133.55 33.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 73.12 109.983 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 612' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 616' ' ' GLY . 21.8 t -60.43 116.28 4.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 75.53 108.268 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 12.5 ttt180 -71.25 -25.22 62.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 71.34 110.323 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 614' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -67.38 -32.31 73.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 71.34 109.253 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 615' ' ' CYS . . . . . 0.438 ' N ' ' SG ' ' A' ' 559' ' ' CYS . 0.8 OUTLIER -133.96 -73.76 0.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 72.34 108.266 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 616' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 153.58 -20.81 0.71 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.483 1.114 . . . . 65.42 110.986 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -42.27 104.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 0.79 . . . . 61.13 110.289 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 98.4 t -54.4 131.32 16.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 60.24 109.26 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 619' ' ' TRP . . . . . 0.721 ' CE2' ' HE3' ' A' ' 638' ' ' MET . 50.7 m0 -90.71 -53.26 4.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 74.31 108.0 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 620' ' ' GLY . . . . . . . . . . . . . . . 179.54 -107.44 0.22 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.548 1.155 . . . . 55.13 110.981 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 621' ' ' LEU . . . . . 0.8 ' C ' HD23 ' A' ' 621' ' ' LEU . 0.0 OUTLIER -157.34 161.38 39.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 0.761 . . . . 72.51 109.275 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 622' ' ' GLN . . . . . 0.416 ' O ' ' N ' ' A' ' 607' ' ' GLY . 0.1 OUTLIER -89.54 137.67 32.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 62.32 110.345 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 623' ' ' MET . . . . . 0.715 ' HG2' HD21 ' A' ' 621' ' ' LEU . 4.4 mmt -124.77 132.4 53.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 44.4 110.996 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 624' ' ' ILE . . . . . 0.419 HD12 ' N ' ' A' ' 624' ' ' ILE . 5.4 mp -103.12 145.49 12.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 73.52 109.293 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 625' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -153.79 107.84 3.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 75.03 111.007 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 626' ' ' LYS . . . . . 0.555 ' HB2' ' CE1' ' A' ' 664' ' ' PHE . 1.2 mmpt? 69.73 18.89 7.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.145 . . . . 64.3 109.31 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 627' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.2 p 85.66 40.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 74.21 109.993 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 628' ' ' VAL . . . . . 0.885 HG12 ' HG ' ' A' ' 630' ' ' LEU . 47.3 t -129.68 113.12 26.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 74.22 109.256 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm -72.37 99.38 2.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 74.51 109.298 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 630' ' ' LEU . . . . . 0.885 ' HG ' HG12 ' A' ' 628' ' ' VAL . 17.4 mt -114.62 111.85 45.97 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 74.45 109.307 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 631' ' ' PRO . . . . . 0.651 ' HB2' HD11 ' A' ' 633' ' ' LEU . 18.3 Cg_endo -74.96 137.34 21.68 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.506 1.793 . . . . 61.24 111.012 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 632' ' ' VAL . . . . . 0.861 ' HA ' HG12 ' A' ' 578' ' ' VAL . 57.8 t -99.96 98.37 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 74.21 109.294 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 633' ' ' LEU . . . . . 0.763 ' N ' HD13 ' A' ' 633' ' ' LEU . 0.1 OUTLIER -99.42 171.75 7.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 63.33 109.31 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 634' ' ' LYS . . . . . 0.703 ' HZ1' ' HD2' ' A' ' 636' ' ' ARG . 0.5 OUTLIER -114.37 -170.87 1.81 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 73.31 109.269 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 635' ' ' VAL . . . . . 0.779 HG13 ' CE2' ' A' ' 652' ' ' TRP . 0.2 OUTLIER -106.24 -44.1 7.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.429 1.08 . . . . 74.12 109.298 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 636' ' ' ARG . . . . . 0.784 ' O ' HD13 ' A' ' 557' ' ' ILE . 3.3 ptt180 -62.84 -12.39 24.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 60.25 110.327 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 1.9 t -106.87 -17.58 14.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 75.42 110.001 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 638' ' ' MET . . . . . 0.721 ' HE3' ' CE2' ' A' ' 619' ' ' TRP . 34.4 mmt -106.99 134.24 50.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.148 . . . . 65.42 110.981 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 639' ' ' LEU . . . . . 0.717 HD12 ' H ' ' A' ' 640' ' ' LEU . 12.1 tp -96.46 138.67 33.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 73.1 109.367 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 640' ' ' LEU . . . . . 0.717 ' H ' HD12 ' A' ' 639' ' ' LEU . 20.4 mt -107.65 91.68 3.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.132 . . . . 75.42 109.319 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 641' ' ' GLU . . . . . 0.856 ' HB2' HD11 ' A' ' 555' ' ' LEU . 6.2 mt-10 -74.07 122.83 23.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 75.1 110.285 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 642' ' ' THR . . . . . 0.498 HG21 HD12 ' A' ' 647' ' ' ILE . 0.1 OUTLIER -133.93 159.65 71.61 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 73.2 110.434 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 1.2 8.03 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.503 1.791 . . . . 75.51 111.027 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 644' ' ' GLN . . . . . 0.43 ' NE2' ' O ' ' A' ' 546' ' ' GLN . 13.2 mt-30 -111.05 -1.98 16.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 73.44 110.337 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 120.96 136.51 5.1 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.539 1.15 . . . . 72.21 110.999 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 646' ' ' ARG . . . . . 0.661 ' CD ' HD21 ' A' ' 639' ' ' LEU . 7.4 mtp180 -53.37 148.0 9.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 0.767 . . . . 60.34 110.289 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 647' ' ' ILE . . . . . 0.498 HD12 HG21 ' A' ' 642' ' ' THR . 12.6 mt -136.42 121.43 26.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 74.24 109.324 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 648' ' ' GLN . . . . . 0.48 HE21 HD12 ' A' ' 557' ' ' ILE . 0.8 OUTLIER -114.75 110.1 19.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 75.45 110.281 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 649' ' ' ALA . . . . . . . . . . . . . . . -114.94 162.15 17.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 70.42 109.323 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 650' ' ' LYS . . . . . 0.534 ' C ' HG23 ' A' ' 635' ' ' VAL . 22.1 mttp -111.09 -14.06 13.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 53.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 651' ' ' LYS . . . . . 0.458 ' CB ' ' NH1' ' A' ' 654' ' ' ARG . 20.9 mmmt -121.88 128.38 51.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 62.12 109.292 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 652' ' ' TRP . . . . . 0.779 ' CE2' HG13 ' A' ' 635' ' ' VAL . 59.5 m95 -65.29 -19.91 66.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 72.31 108.03 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 2.7 t -66.48 -16.57 64.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 73.14 109.991 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 654' ' ' ARG . . . . . 0.458 ' NH1' ' CB ' ' A' ' 651' ' ' LYS . 10.0 mmt-85 -103.09 -25.31 13.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 73.34 110.287 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 655' ' ' VAL . . . . . 0.713 HG13 ' CD2' ' A' ' 657' ' ' PHE . 2.1 t -40.08 133.05 1.51 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 73.52 109.325 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 656' ' ' PRO . . . . . 0.553 ' HD2' HD13 ' A' ' 640' ' ' LEU . 18.4 Cg_endo -75.03 -55.17 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.508 1.794 . . . . 51.34 111.007 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 657' ' ' PHE . . . . . 0.906 ' CE1' HG22 ' A' ' 659' ' ' VAL . 20.5 p90 -60.5 148.62 37.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 72.05 110.98 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.95 147.76 27.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 73.4 110.028 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 659' ' ' VAL . . . . . 0.906 HG22 ' CE1' ' A' ' 657' ' ' PHE . 1.5 t -125.59 103.55 28.36 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 64.45 109.261 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 660' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 147.01 33.38 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.506 1.792 . . . . 74.4 111.039 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 661' ' ' ASP . . . . . 0.426 ' HA ' ' O ' ' A' ' 571' ' ' LYS . 11.7 m-20 -69.26 140.83 54.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 74.13 109.289 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 662' ' ' PHE . . . . . 0.499 ' CE2' HD21 ' A' ' 630' ' ' LEU . 5.2 t80 -64.74 123.09 18.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 71.22 111.005 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 663' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -100.12 116.97 33.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 72.12 109.325 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 664' ' ' PHE . . . . . 0.555 ' CE1' ' HB2' ' A' ' 626' ' ' LYS . 41.0 t80 -73.82 -14.34 61.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 53.1 110.982 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 8.8 mt -84.58 -41.85 16.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 72.13 109.319 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 666' ' ' GLN . . . . . 0.43 ' O ' ' N ' ' A' ' 670' ' ' GLU . 11.6 tt0 -82.88 -55.48 4.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 74.13 110.301 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 667' ' ' HIS . . . . . 0.974 ' CE1' HG11 ' A' ' 580' ' ' VAL . 6.3 t-80 -47.77 -36.75 12.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 73.53 109.587 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 668' ' ' CYS . . . . . . . . . . . . . 41.3 t -71.87 -46.13 58.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 60.15 108.311 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -68.89 -11.47 60.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 63.11 109.29 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 670' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 666' ' ' GLN . 9.4 mt-10 -84.49 -34.17 23.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 64.51 110.315 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -91.69 -26.53 18.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 53.22 109.319 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 3.2 mt -91.97 -56.11 3.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.569 1.168 . . . . 73.44 109.264 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 2.3 m 64.89 18.03 11.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 73.14 110.008 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -59.69 -24.45 63.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 73.41 109.304 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 675' ' ' LEU . . . . . 0.425 ' HA ' HD12 ' A' ' 675' ' ' LEU . 0.0 OUTLIER -65.54 -72.44 0.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 65.51 109.257 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 676' ' ' SER . . . . . . . . . . . . . 69.0 m -166.7 153.69 9.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 50.23 110.009 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 677' ' ' LEU . . . . . 0.615 ' N ' HD12 ' A' ' 677' ' ' LEU . 1.8 mp -87.0 -66.53 0.9 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 71.04 109.292 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 16.4 t70 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 71.33 109.3 -179.988 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 679' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 111.017 -0.833 . . . . 73.03 111.017 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -176.46 2.9 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.469 1.773 . . . . 54.25 111.0 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 24.2 m-70 -104.67 132.08 51.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 72.2 109.637 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 545' ' ' MET . . . . . . . . . . . . . 30.4 mmm -92.8 49.08 1.41 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 73.23 111.0 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 546' ' ' GLN . . . . . 0.543 ' C ' ' CD1' ' A' ' 547' ' ' PHE . 0.1 OUTLIER -116.74 136.79 52.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 72.41 110.346 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 547' ' ' PHE . . . . . 0.543 ' CD1' ' C ' ' A' ' 546' ' ' GLN . 2.4 m-85 -151.66 103.4 2.88 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 74.33 111.001 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 548' ' ' PRO . . . . . 0.441 ' HB2' ' CG ' ' A' ' 550' ' ' GLU . 18.2 Cg_endo -75.04 139.24 23.95 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.462 1.769 . . . . 64.4 110.958 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 549' ' ' VAL . . . . . 0.612 HG12 ' HB2' ' A' ' 657' ' ' PHE . 29.0 m -49.07 -41.93 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 73.24 109.344 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 550' ' ' GLU . . . . . 0.441 ' CG ' ' HB2' ' A' ' 548' ' ' PRO . 1.7 pt-20 -54.51 -34.39 61.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 62.14 110.253 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -83.86 -19.26 35.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 62.31 109.626 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 552' ' ' VAL . . . . . 0.673 HG21 ' HB3' ' A' ' 657' ' ' PHE . 41.3 t -93.46 129.77 43.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 73.23 109.323 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 553' ' ' GLN . . . . . 0.631 ' O ' HD12 ' A' ' 555' ' ' LEU . 12.8 tt0 -119.15 140.89 49.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 71.41 110.295 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 554' ' ' LEU . . . . . 1.005 HD11 HD23 ' A' ' 569' ' ' LEU . 0.9 OUTLIER -82.56 112.28 19.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 71.32 109.336 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 555' ' ' LEU . . . . . 0.631 HD12 ' O ' ' A' ' 553' ' ' GLN . 0.3 OUTLIER -133.07 179.77 5.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 62.32 109.266 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 556' ' ' CYS . . . . . 0.533 ' O ' ' N ' ' A' ' 560' ' ' MET . 5.1 t -104.57 101.63 11.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 114.983 -1.008 . . . . 72.53 110.963 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 557' ' ' ILE . . . . . 0.952 HD13 ' O ' ' A' ' 636' ' ' ARG . 1.5 pt -31.94 -37.95 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 74.25 109.27 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 558' ' ' ASN . . . . . 0.518 ' N ' ' O ' ' A' ' 556' ' ' CYS . 2.7 m120 -74.95 -62.04 1.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 75.45 109.261 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 559' ' ' CYS . . . . . 0.468 ' O ' ' HB2' ' A' ' 560' ' ' MET . 3.2 m -73.97 -70.74 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 74.42 108.338 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 560' ' ' MET . . . . . 0.533 ' N ' ' O ' ' A' ' 556' ' ' CYS . 28.5 mtm 77.47 41.63 0.14 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 55.43 111.022 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 561' ' ' VAL . . . . . 0.682 ' O ' ' HB3' ' A' ' 562' ' ' ALA . 1.0 OUTLIER -105.8 -2.16 9.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 53.21 109.276 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 562' ' ' ALA . . . . . 0.682 ' HB3' ' O ' ' A' ' 561' ' ' VAL . . . 84.46 102.96 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 75.34 109.293 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 563' ' ' VAL . . . . . 0.642 HG12 ' CD1' ' A' ' 587' ' ' TYR . 0.9 OUTLIER -102.91 -6.4 9.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 51.32 109.298 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -177.45 -162.07 27.02 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.447 1.092 . . . . 55.41 111.011 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 565' ' ' HIS . . . . . . . . . . . . . 14.5 m-70 -126.41 148.64 49.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 0.765 . . . . 63.52 109.632 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . -73.21 -10.35 78.26 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.51 1.131 . . . . 74.55 110.983 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -113.83 8.93 17.49 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.485 0.756 . . . . 55.34 109.986 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -106.43 -18.41 13.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 74.14 109.317 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 569' ' ' LEU . . . . . 1.005 HD23 HD11 ' A' ' 554' ' ' LEU . 0.1 OUTLIER -90.42 164.2 14.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 64.13 109.356 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 570' ' ' ARG . . . . . 0.44 ' CB ' ' HA ' ' A' ' 662' ' ' PHE . 13.7 mmt180 -142.29 -172.94 3.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 71.31 110.288 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 571' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 660' ' ' PRO . 17.0 ttmt -116.93 118.81 33.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 75.35 109.34 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 572' ' ' VAL . . . . . 0.999 HG23 HG21 ' A' ' 578' ' ' VAL . 2.4 t -77.78 112.73 16.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 63.42 109.251 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 573' ' ' GLU . . . . . 0.591 ' HG2' HG12 ' A' ' 572' ' ' VAL . 9.8 pt-20 46.52 34.01 2.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 72.32 110.332 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 44.49 39.63 5.88 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.5 1.125 . . . . 63.34 110.995 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 575' ' ' THR . . . . . 0.405 ' CB ' ' HG3' ' A' ' 573' ' ' GLU . 11.1 m -109.9 -50.64 2.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 0.745 . . . . 74.31 110.411 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 33.8 m80 -149.38 131.62 15.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 70.52 109.612 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 577' ' ' HIS . . . . . 0.712 ' CD2' ' CD2' ' A' ' 652' ' ' TRP . 11.1 m-70 -57.71 143.36 42.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 73.15 109.618 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 578' ' ' VAL . . . . . 0.999 HG21 HG23 ' A' ' 572' ' ' VAL . 15.6 m -149.67 130.98 4.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 63.52 109.324 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 579' ' ' ASN . . . . . 0.459 ' HA ' ' CB ' ' A' ' 569' ' ' LEU . 6.8 t-20 -95.44 129.61 42.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 64.41 109.34 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 580' ' ' VAL . . . . . 0.608 HG13 HD23 ' A' ' 630' ' ' LEU . 2.5 t -107.68 130.3 60.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 75.43 109.283 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 581' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 176.29 142.66 0.23 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 71.2 109.32 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 582' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -42.52 0.49 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.503 1.791 . . . . 71.34 110.967 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 583' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -59.43 -16.32 22.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 75.44 109.292 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 584' ' ' PHE . . . . . 0.523 ' O ' ' CD2' ' A' ' 588' ' ' TYR . 1.5 t80 -63.37 -36.13 82.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 73.21 111.014 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 5.3 t -58.89 -27.52 65.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 73.44 110.003 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -87.38 -11.97 47.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 52.13 109.298 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 587' ' ' TYR . . . . . 0.642 ' CD1' HG12 ' A' ' 563' ' ' VAL . 2.4 m-85 -97.56 7.22 46.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 54.11 110.962 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 588' ' ' TYR . . . . . 0.875 ' CD1' HG23 ' A' ' 610' ' ' ILE . 1.2 p90 -168.51 159.1 10.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 73.15 110.978 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 589' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -130.38 130.74 44.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 63.32 109.32 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 590' ' ' VAL . . . . . 0.637 HG13 ' HA3' ' A' ' 608' ' ' GLY . 21.3 t -72.46 134.46 29.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 70.14 109.306 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 591' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 592' ' ' ARG . 98.8 p -60.28 138.99 57.84 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.123 . . . . 64.11 109.991 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 592' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 591' ' ' SER . 0.0 OUTLIER -35.93 -56.65 0.71 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 1.11 . . . . 71.13 110.287 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -42.85 150.29 0.45 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 72.22 109.308 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -90.25 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.496 1.787 . . . . 52.12 110.976 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 14.5 t -104.35 130.54 54.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 72.44 109.283 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 596' ' ' VAL . . . . . . . . . . . . . 2.0 t -135.96 82.27 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 72.22 109.331 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 597' ' ' ILE . . . . . 0.481 ' CG2' ' N ' ' A' ' 598' ' ' ASN . 1.3 mt -144.55 162.75 14.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 72.1 109.349 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 598' ' ' ASN . . . . . 0.481 ' N ' ' CG2' ' A' ' 597' ' ' ILE . 26.6 m120 -52.97 -59.64 4.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 70.42 109.314 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 599' ' ' LYS . . . . . 0.551 ' HD3' ' CZ ' ' A' ' 601' ' ' PHE . 0.0 OUTLIER -147.67 176.86 9.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 75.41 109.276 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 600' ' ' VAL . . . . . 0.404 ' N ' ' HG2' ' A' ' 599' ' ' LYS . 2.2 t -94.84 152.47 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.108 . . . . 71.24 109.324 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 601' ' ' PHE . . . . . 0.551 ' CZ ' ' HD3' ' A' ' 599' ' ' LYS . 21.6 m-85 -125.43 168.19 13.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 73.44 110.996 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 5.0 mptt -97.07 -52.03 4.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 72.5 109.296 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -41.23 -38.37 1.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.57 1.169 . . . . 73.21 109.301 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 604' ' ' TRP . . . . . 0.687 ' CE3' HG11 ' A' ' 572' ' ' VAL . 0.5 OUTLIER -157.33 163.39 38.71 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.122 . . . . 74.52 108.009 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 605' ' ' LYS . . . . . 0.99 ' NZ ' HD13 ' A' ' 624' ' ' ILE . 7.4 ptmm? -109.83 157.49 37.53 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 60.43 109.297 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 606' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 176.24 10.17 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.473 1.775 . . . . 74.33 110.988 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 607' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 622' ' ' GLN . . . -141.0 -108.78 0.74 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.493 1.121 . . . . 73.3 110.998 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 608' ' ' GLY . . . . . 0.637 ' HA3' HG13 ' A' ' 590' ' ' VAL . . . -146.75 149.8 21.99 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.961 -0.856 . . . . 51.33 110.961 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 609' ' ' VAL . . . . . 0.485 HG13 ' O ' ' A' ' 620' ' ' GLY . 11.8 t -56.72 126.12 13.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.457 0.74 . . . . 64.01 109.332 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 610' ' ' ILE . . . . . 0.875 HG23 ' CD1' ' A' ' 588' ' ' TYR . 0.9 OUTLIER -96.23 157.5 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 71.14 109.332 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -158.35 119.56 3.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 63.25 109.996 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 612' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 616' ' ' GLY . 11.8 t -44.74 117.92 1.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 74.42 108.328 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 2.4 ttt-85 -71.16 -24.86 62.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 74.01 110.303 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 614' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -67.89 -37.53 81.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 71.34 109.283 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 615' ' ' CYS . . . . . 0.441 ' SG ' ' N ' ' A' ' 559' ' ' CYS . 1.4 m -123.11 -73.86 0.63 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 72.43 108.317 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 616' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 148.26 -18.22 1.35 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.542 1.151 . . . . 73.14 110.991 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -43.04 103.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 0.756 . . . . 73.31 110.338 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 24.9 t -49.53 120.99 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 71.2 109.305 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 619' ' ' TRP . . . . . 0.728 ' CE2' ' HE3' ' A' ' 638' ' ' MET . 38.7 m0 -80.74 -43.08 20.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 74.41 107.998 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 620' ' ' GLY . . . . . 0.485 ' O ' HG13 ' A' ' 609' ' ' VAL . . . 161.01 -100.68 0.19 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.475 1.109 . . . . 52.51 110.999 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 621' ' ' LEU . . . . . 0.644 HD22 ' C ' ' A' ' 621' ' ' LEU . 0.0 OUTLIER -160.77 159.07 29.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 0.788 . . . . 74.15 109.258 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 622' ' ' GLN . . . . . 0.476 ' N ' HD22 ' A' ' 621' ' ' LEU . 0.3 OUTLIER -93.16 147.16 23.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 75.22 110.29 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 623' ' ' MET . . . . . 0.603 ' SD ' ' CZ2' ' A' ' 604' ' ' TRP . 12.1 mtp -132.9 139.7 47.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 73.5 110.951 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 624' ' ' ILE . . . . . 0.99 HD13 ' NZ ' ' A' ' 605' ' ' LYS . 4.9 mp -108.1 147.05 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 73.23 109.308 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 625' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -150.65 120.48 7.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 72.41 111.008 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 626' ' ' LYS . . . . . 0.521 ' O ' ' CB ' ' A' ' 627' ' ' SER . 0.0 OUTLIER 58.54 17.71 5.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 74.04 109.269 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 627' ' ' SER . . . . . 0.521 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.2 p 86.42 38.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 72.13 109.959 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 628' ' ' VAL . . . . . 0.859 HG12 ' HG ' ' A' ' 630' ' ' LEU . 46.8 t -127.33 109.27 20.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.12 . . . . 72.55 109.334 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 3.0 mmmm -64.07 99.19 0.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 65.04 109.309 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 630' ' ' LEU . . . . . 0.859 ' HG ' HG12 ' A' ' 628' ' ' VAL . 25.9 mt -118.47 111.54 38.02 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 74.53 109.319 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 631' ' ' PRO . . . . . 0.436 ' HB2' HD11 ' A' ' 633' ' ' LEU . 18.3 Cg_endo -74.98 165.95 30.24 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.475 1.776 . . . . 72.12 111.027 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 632' ' ' VAL . . . . . 0.804 ' C ' HD13 ' A' ' 633' ' ' LEU . 15.7 t -131.36 102.37 6.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 73.13 109.332 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 633' ' ' LEU . . . . . 0.806 ' N ' HD13 ' A' ' 633' ' ' LEU . 0.0 OUTLIER -102.85 171.21 7.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.47 1.106 . . . . 45.5 109.327 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 634' ' ' LYS . . . . . 0.487 ' CD ' ' O ' ' A' ' 619' ' ' TRP . 4.8 mtpt -99.31 -172.54 2.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 71.33 109.317 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 635' ' ' VAL . . . . . 0.69 HG21 HG23 ' A' ' 655' ' ' VAL . 9.0 p -109.61 -19.86 6.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 71.12 109.319 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 636' ' ' ARG . . . . . 0.952 ' O ' HD13 ' A' ' 557' ' ' ILE . 0.8 OUTLIER -84.65 -29.34 25.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 71.54 110.284 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 1.9 t -88.07 -9.39 53.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 71.2 110.022 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 638' ' ' MET . . . . . 0.728 ' HE3' ' CE2' ' A' ' 619' ' ' TRP . 32.7 mmt -109.95 127.95 55.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 74.01 111.015 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 639' ' ' LEU . . . . . 0.868 HD12 ' H ' ' A' ' 640' ' ' LEU . 6.2 tp -96.13 150.09 20.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 74.02 109.333 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 640' ' ' LEU . . . . . 0.868 ' H ' HD12 ' A' ' 639' ' ' LEU . 13.8 mt -117.23 100.23 7.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 73.01 109.266 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 641' ' ' GLU . . . . . 0.527 ' HB2' HD11 ' A' ' 555' ' ' LEU . 4.6 mt-10 -74.09 129.55 38.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 73.43 110.308 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 642' ' ' THR . . . . . 0.735 HG21 HD12 ' A' ' 647' ' ' ILE . 7.6 p -137.93 158.86 70.58 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 63.41 110.423 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -18.18 18.92 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.517 1.798 . . . . 75.1 111.016 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -91.41 -5.79 53.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 72.4 110.311 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 125.06 126.63 3.04 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.532 1.145 . . . . 60.32 111.0 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 646' ' ' ARG . . . . . 0.436 ' HB2' ' NH1' ' A' ' 646' ' ' ARG . 3.0 mtp-105 -42.1 151.61 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 0.77 . . . . 71.01 110.306 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 647' ' ' ILE . . . . . 0.735 HD12 HG21 ' A' ' 642' ' ' THR . 10.6 mt -136.27 137.45 48.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 43.52 109.302 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 648' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -135.57 112.63 10.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 71.42 110.285 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 649' ' ' ALA . . . . . 0.459 ' CB ' ' HB2' ' A' ' 654' ' ' ARG . . . -106.34 177.17 4.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.555 1.16 . . . . 74.43 109.282 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 35.6 mttt -110.85 -18.55 13.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 70.05 109.293 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 651' ' ' LYS . . . . . 0.674 ' CA ' HG11 ' A' ' 635' ' ' VAL . 0.0 OUTLIER -137.19 142.73 42.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 74.21 109.288 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 652' ' ' TRP . . . . . 0.712 ' CD2' ' CD2' ' A' ' 577' ' ' HIS . 36.2 m95 -59.61 -17.98 37.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 75.42 107.986 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 4.9 m -62.66 -13.14 28.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 63.45 109.946 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 654' ' ' ARG . . . . . 0.459 ' HB2' ' CB ' ' A' ' 649' ' ' ALA . 16.1 mmt-85 -107.31 -25.02 11.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 62.04 110.271 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 655' ' ' VAL . . . . . 0.751 HG13 ' CD2' ' A' ' 657' ' ' PHE . 2.3 t -41.64 125.66 2.41 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 74.45 109.321 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 656' ' ' PRO . . . . . 0.682 ' HD2' HD13 ' A' ' 640' ' ' LEU . 18.5 Cg_endo -74.95 -50.36 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.516 1.798 . . . . 74.55 111.028 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 657' ' ' PHE . . . . . 0.951 ' CE1' HG22 ' A' ' 659' ' ' VAL . 18.2 p90 -63.01 149.09 45.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 43.44 111.002 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 658' ' ' SER . . . . . 0.401 ' O ' HG11 ' A' ' 549' ' ' VAL . 0.7 OUTLIER -84.1 145.57 28.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 71.41 109.999 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 659' ' ' VAL . . . . . 0.951 HG22 ' CE1' ' A' ' 657' ' ' PHE . 1.8 t -121.76 101.61 42.47 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 72.43 109.27 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 660' ' ' PRO . . . . . 0.426 ' O ' ' N ' ' A' ' 571' ' ' LYS . 18.3 Cg_endo -75.0 149.87 37.3 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.52 1.8 . . . . 64.12 111.015 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 661' ' ' ASP . . . . . 0.423 ' HA ' ' O ' ' A' ' 571' ' ' LYS . 11.2 p-10 -61.28 145.24 52.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 60.45 109.341 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 662' ' ' PHE . . . . . 0.599 ' CE2' ' CG ' ' A' ' 667' ' ' HIS . 24.7 t80 -58.25 109.41 0.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 51.14 110.999 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 663' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -69.36 100.46 1.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 43.55 109.28 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 664' ' ' PHE . . . . . 0.504 ' CE1' ' SG ' ' A' ' 668' ' ' CYS . 32.6 t80 -66.62 -26.24 66.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 72.43 110.988 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 665' ' ' LEU . . . . . 0.493 ' N ' HD23 ' A' ' 665' ' ' LEU . 4.0 mt -71.51 -56.1 6.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.152 . . . . 70.34 109.338 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 12.2 tp60 -61.31 -51.97 66.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.572 1.17 . . . . 75.34 110.305 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 667' ' ' HIS . . . . . 0.599 ' CG ' ' CE2' ' A' ' 662' ' ' PHE . 22.0 m80 -52.87 -37.2 60.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 72.22 109.571 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 668' ' ' CYS . . . . . 0.504 ' SG ' ' CE1' ' A' ' 664' ' ' PHE . 11.6 m -74.59 -31.24 61.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.113 . . . . 72.11 108.301 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 669' ' ' ALA . . . . . 0.902 ' O ' HD21 ' A' ' 675' ' ' LEU . . . -73.62 -11.57 60.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 52.52 109.336 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 670' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -115.74 -9.45 11.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 71.23 110.3 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -101.64 -16.82 16.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 74.53 109.324 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 14.2 mt -94.86 -176.26 3.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 70.13 109.326 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 1.9 m -101.77 9.81 40.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 75.14 110.008 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -48.27 -28.2 2.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 72.24 109.303 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 675' ' ' LEU . . . . . 0.902 HD21 ' O ' ' A' ' 669' ' ' ALA . 1.0 OUTLIER -73.66 -68.41 0.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 74.42 109.346 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 676' ' ' SER . . . . . . . . . . . . . 98.0 p -150.09 142.08 23.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 75.13 110.029 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 15.6 mt -81.48 -50.5 9.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 63.44 109.314 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 5.4 t70 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 73.11 109.282 179.986 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 679' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 111.015 -0.834 . . . . 73.25 111.015 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 148.01 34.56 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.533 1.807 . . . . 55.32 111.034 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 16.9 m80 -107.22 159.6 16.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 72.11 109.627 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 545' ' ' MET . . . . . . . . . . . . . 37.6 mtp -77.9 78.63 4.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 74.32 110.974 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 546' ' ' GLN . . . . . 0.54 ' C ' ' CD1' ' A' ' 547' ' ' PHE . 30.5 mt-30 -132.88 132.59 42.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 44.14 110.254 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 547' ' ' PHE . . . . . 0.623 ' CD1' ' N ' ' A' ' 547' ' ' PHE . 0.1 OUTLIER -149.18 104.78 3.34 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 75.35 110.982 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 548' ' ' PRO . . . . . 0.438 ' HB2' ' CG ' ' A' ' 550' ' ' GLU . 18.3 Cg_endo -74.95 137.74 22.24 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.445 1.761 . . . . 75.03 111.035 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 549' ' ' VAL . . . . . 0.474 HG12 ' HB2' ' A' ' 657' ' ' PHE . 35.5 m -48.59 -40.09 10.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.088 . . . . 54.44 109.305 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 550' ' ' GLU . . . . . 0.438 ' CG ' ' HB2' ' A' ' 548' ' ' PRO . 1.9 pt-20 -58.06 -34.76 70.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 74.42 110.292 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 8.8 m170 -82.96 -16.1 48.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 71.21 109.602 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 552' ' ' VAL . . . . . 0.856 HG21 ' HB3' ' A' ' 657' ' ' PHE . 70.5 t -95.09 130.96 43.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 74.21 109.283 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 553' ' ' GLN . . . . . 0.411 ' HG3' ' O ' ' A' ' 564' ' ' GLY . 7.8 tt0 -118.71 151.27 38.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 73.21 110.332 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 554' ' ' LEU . . . . . 0.774 HD11 HD23 ' A' ' 569' ' ' LEU . 1.3 mt -93.91 114.61 26.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 51.5 109.343 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 555' ' ' LEU . . . . . 0.999 HD12 ' O ' ' A' ' 639' ' ' LEU . 0.2 OUTLIER -134.16 177.16 7.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 73.22 109.296 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 556' ' ' CYS . . . . . 0.539 ' O ' ' N ' ' A' ' 560' ' ' MET . 5.4 t -104.98 103.0 12.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 114.999 -1.001 . . . . 52.43 110.904 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 557' ' ' ILE . . . . . 0.478 ' C ' ' O ' ' A' ' 556' ' ' CYS . 1.4 pt -34.87 -34.38 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.117 . . . . 71.24 109.31 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 558' ' ' ASN . . . . . 0.503 ' N ' ' O ' ' A' ' 556' ' ' CYS . 3.1 m120 -76.4 -62.58 1.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 75.52 109.312 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 559' ' ' CYS . . . . . 0.456 ' O ' ' HB2' ' A' ' 560' ' ' MET . 3.6 m -75.42 -68.97 0.51 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 65.22 108.283 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 560' ' ' MET . . . . . 0.539 ' N ' ' O ' ' A' ' 556' ' ' CYS . 26.7 mtm 77.23 47.18 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 65.14 111.032 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 561' ' ' VAL . . . . . 0.653 ' O ' ' HB3' ' A' ' 562' ' ' ALA . 1.0 OUTLIER -113.33 -0.25 9.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 65.33 109.325 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 562' ' ' ALA . . . . . 0.653 ' HB3' ' O ' ' A' ' 561' ' ' VAL . . . 81.65 102.16 0.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.543 1.152 . . . . 73.34 109.27 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 563' ' ' VAL . . . . . 0.606 HG12 ' CD1' ' A' ' 587' ' ' TYR . 2.2 m -99.88 -4.09 9.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 63.33 109.275 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 564' ' ' GLY . . . . . 0.411 ' O ' ' HG3' ' A' ' 553' ' ' GLN . . . 177.88 -159.08 24.59 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.521 1.138 . . . . 74.23 111.007 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 565' ' ' HIS . . . . . . . . . . . . . 61.9 m80 -126.45 149.18 49.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 0.766 . . . . 74.43 109.587 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 566' ' ' GLY . . . . . 0.473 ' O ' HD11 ' A' ' 569' ' ' LEU . . . -72.85 -18.01 78.69 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.462 1.101 . . . . 72.04 110.973 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 8.9 t -101.54 13.26 35.5 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 0.763 . . . . 70.33 110.04 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -115.03 -9.83 12.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 65.2 109.287 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 569' ' ' LEU . . . . . 0.774 HD23 HD11 ' A' ' 554' ' ' LEU . 0.2 OUTLIER -89.99 165.17 14.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 45.41 109.281 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 570' ' ' ARG . . . . . . . . . . . . . 26.1 mmt180 -142.21 -172.76 3.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 72.33 110.363 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 571' ' ' LYS . . . . . 0.454 ' HE2' ' CE1' ' A' ' 577' ' ' HIS . 17.0 ttmt -129.41 116.05 18.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.553 1.158 . . . . 72.32 109.298 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 572' ' ' VAL . . . . . 1.033 HG23 HG21 ' A' ' 578' ' ' VAL . 2.3 t -77.83 110.07 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 63.54 109.357 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 573' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 38.76 39.43 0.34 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 73.15 110.297 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 41.73 49.2 5.04 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.437 1.086 . . . . 64.41 111.016 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 575' ' ' THR . . . . . 0.42 ' O ' ' CG ' ' A' ' 576' ' ' HIS . 1.2 m -111.71 -49.1 3.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 0.769 . . . . 72.21 110.389 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 576' ' ' HIS . . . . . 0.771 ' O ' HG13 ' A' ' 578' ' ' VAL . 37.3 m80 -157.05 111.75 2.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 73.31 109.556 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 577' ' ' HIS . . . . . 0.835 ' ND1' HG11 ' A' ' 659' ' ' VAL . 10.2 m-70 -39.92 120.62 1.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 72.12 109.601 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 578' ' ' VAL . . . . . 1.033 HG21 HG23 ' A' ' 572' ' ' VAL . 15.1 m -121.97 108.41 21.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 70.2 109.253 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 579' ' ' ASN . . . . . 0.483 ' HA ' ' CB ' ' A' ' 569' ' ' LEU . 5.9 t30 -79.7 108.35 13.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 64.42 109.309 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 580' ' ' VAL . . . . . 0.925 HG11 ' CE1' ' A' ' 667' ' ' HIS . 3.3 t -82.66 145.31 8.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 73.15 109.275 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 581' ' ' ASN . . . . . 0.481 ' OD1' ' N ' ' A' ' 584' ' ' PHE . 11.3 t-20 170.71 124.66 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 53.34 109.297 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 582' ' ' PRO . . . . . 0.431 ' HD2' ' ND2' ' A' ' 581' ' ' ASN . 18.4 Cg_endo -75.02 -24.55 12.68 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.518 1.799 . . . . 75.12 111.006 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 583' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -85.72 9.08 17.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 63.54 109.326 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 584' ' ' PHE . . . . . 0.797 ' CZ ' ' CZ3' ' A' ' 619' ' ' TRP . 1.4 t80 -84.64 -24.15 29.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.547 1.154 . . . . 74.11 111.025 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 9.1 p -61.0 -28.69 69.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 43.03 110.008 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -87.24 -8.63 56.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 63.41 109.295 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 587' ' ' TYR . . . . . 0.606 ' CD1' HG12 ' A' ' 563' ' ' VAL . 4.2 m-85 -101.86 4.92 40.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 74.03 110.963 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 588' ' ' TYR . . . . . 0.858 ' CD1' HG23 ' A' ' 610' ' ' ILE . 1.3 p90 -169.82 158.48 7.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 73.14 110.988 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 589' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 -129.87 132.03 46.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 74.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 590' ' ' VAL . . . . . 0.608 HG13 ' HA3' ' A' ' 608' ' ' GLY . 8.1 t -72.45 134.74 29.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 75.14 109.292 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 31.2 t -56.36 174.7 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 71.42 109.96 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 56.1 ttm-85 -74.44 -41.04 61.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.148 . . . . 73.1 110.299 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.21 147.52 90.87 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 71.31 109.316 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -89.72 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.513 1.796 . . . . 45.22 110.979 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 55.0 t -102.66 129.03 54.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 53.35 109.292 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 596' ' ' VAL . . . . . . . . . . . . . 2.7 t -136.92 77.5 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 53.2 109.342 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 597' ' ' ILE . . . . . 0.462 ' CG2' ' N ' ' A' ' 598' ' ' ASN . 2.1 mt -147.51 161.58 7.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 63.12 109.28 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 598' ' ' ASN . . . . . 0.462 ' N ' ' CG2' ' A' ' 597' ' ' ILE . 35.1 t-20 -44.45 -62.13 1.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 71.53 109.33 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 599' ' ' LYS . . . . . 0.413 ' HG2' ' N ' ' A' ' 600' ' ' VAL . 0.0 OUTLIER -147.27 177.57 9.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 62.32 109.311 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 600' ' ' VAL . . . . . 0.649 HG13 ' HD3' ' A' ' 606' ' ' PRO . 3.5 t -101.13 142.2 16.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 73.14 109.298 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 601' ' ' PHE . . . . . 0.401 ' CD1' ' N ' ' A' ' 601' ' ' PHE . 13.9 m-85 -110.12 164.46 12.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 74.31 111.02 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 9.1 mptt -88.13 -44.83 10.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 54.13 109.263 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -42.31 -41.28 2.74 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.105 . . . . 74.33 109.276 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 604' ' ' TRP . . . . . 0.595 ' CE3' HG11 ' A' ' 572' ' ' VAL . 0.5 OUTLIER -157.14 165.65 35.41 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.979 -1.119 . . . . 63.31 107.979 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 605' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.16 153.28 47.29 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 64.53 109.285 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 606' ' ' PRO . . . . . 0.649 ' HD3' HG13 ' A' ' 600' ' ' VAL . 18.3 Cg_endo -74.98 161.44 38.8 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.492 1.785 . . . . 64.04 111.036 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 607' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 622' ' ' GLN . . . -127.39 -87.75 0.6 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.517 1.136 . . . . 63.04 110.981 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 608' ' ' GLY . . . . . 0.608 ' HA3' HG13 ' A' ' 590' ' ' VAL . . . -157.52 144.46 10.61 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.994 -0.842 . . . . 74.14 110.994 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 45.8 t -55.41 129.33 16.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 72.55 109.319 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 610' ' ' ILE . . . . . 0.858 HG23 ' CD1' ' A' ' 588' ' ' TYR . 0.8 OUTLIER -95.84 146.93 6.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.508 1.13 . . . . 71.12 109.304 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -146.08 122.86 11.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.095 . . . . 74.41 109.986 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 612' ' ' CYS . . . . . 0.456 ' O ' ' N ' ' A' ' 616' ' ' GLY . 17.8 t -49.57 120.09 3.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.1 . . . . 63.11 108.29 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 11.4 ttt-85 -71.79 -24.73 61.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 75.34 110.309 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 614' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -69.29 -32.03 70.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 75.32 109.304 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 615' ' ' CYS . . . . . 0.443 ' SG ' ' N ' ' A' ' 559' ' ' CYS . 0.8 OUTLIER -130.35 -74.76 0.54 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 63.25 108.299 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 616' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 149.0 -18.63 1.22 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.566 1.166 . . . . 75.41 111.004 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -42.79 102.38 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 0.777 . . . . 73.55 110.295 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 92.2 t -49.62 112.43 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 52.21 109.31 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 619' ' ' TRP . . . . . 0.797 ' CZ3' ' CZ ' ' A' ' 584' ' ' PHE . 30.3 m0 -69.16 -54.45 14.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 63.41 107.973 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 620' ' ' GLY . . . . . . . . . . . . . . . -179.62 -102.94 0.17 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.518 1.136 . . . . 74.24 110.986 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 621' ' ' LEU . . . . . 0.782 HD22 ' C ' ' A' ' 621' ' ' LEU . 0.0 OUTLIER -163.46 154.06 16.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 0.771 . . . . 60.42 109.315 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 622' ' ' GLN . . . . . 0.674 ' N ' HD22 ' A' ' 621' ' ' LEU . 0.0 OUTLIER -85.58 132.82 34.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 71.13 110.313 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 623' ' ' MET . . . . . 0.753 ' HG2' HD21 ' A' ' 621' ' ' LEU . 3.2 mmt -124.37 149.28 46.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 73.13 110.978 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 624' ' ' ILE . . . . . 0.708 HD12 ' N ' ' A' ' 624' ' ' ILE . 3.4 mp -119.38 132.83 68.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 72.12 109.302 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 625' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -135.71 124.9 24.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 73.54 110.984 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 626' ' ' LYS . . . . . 0.514 ' HA ' ' CE ' ' A' ' 626' ' ' LYS . 0.1 OUTLIER 55.71 19.27 3.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.435 1.084 . . . . 73.0 109.271 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 627' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.1 p 85.17 38.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 72.53 109.975 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 628' ' ' VAL . . . . . 0.888 HG11 ' CZ ' ' A' ' 662' ' ' PHE . 53.2 t -126.68 122.61 61.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 72.1 109.263 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 8.1 mmmm -71.79 96.52 1.65 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 75.25 109.288 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 630' ' ' LEU . . . . . 0.839 ' HG ' HG12 ' A' ' 628' ' ' VAL . 20.7 mt -121.58 111.3 33.2 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 73.51 109.3 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 631' ' ' PRO . . . . . 0.745 ' HB2' HD21 ' A' ' 633' ' ' LEU . 18.4 Cg_endo -74.95 156.38 43.23 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.497 1.788 . . . . 73.41 111.028 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 632' ' ' VAL . . . . . 0.929 ' C ' HD23 ' A' ' 633' ' ' LEU . 84.0 t -113.13 105.27 18.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 74.43 109.322 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 633' ' ' LEU . . . . . 0.929 HD23 ' C ' ' A' ' 632' ' ' VAL . 0.4 OUTLIER -109.6 171.65 7.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 63.1 109.325 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 634' ' ' LYS . . . . . 0.472 ' C ' ' CZ2' ' A' ' 652' ' ' TRP . 0.0 OUTLIER -112.7 -178.17 3.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 73.45 109.274 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 635' ' ' VAL . . . . . 0.993 HG11 ' C ' ' A' ' 651' ' ' LYS . 5.9 p -107.56 5.25 9.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.113 . . . . 34.45 109.239 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 636' ' ' ARG . . . . . 0.466 ' HG3' ' CE ' ' A' ' 634' ' ' LYS . 3.6 ptt180 -111.85 1.65 16.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 62.34 110.294 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 58.9 m -120.32 -4.79 9.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 71.2 109.979 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 638' ' ' MET . . . . . 0.581 ' HE3' ' CE2' ' A' ' 619' ' ' TRP . 30.1 mmt -114.55 148.51 37.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 55.53 111.017 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 639' ' ' LEU . . . . . 0.999 ' O ' HD12 ' A' ' 555' ' ' LEU . 4.1 tp -114.23 129.97 56.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 55.41 109.303 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 640' ' ' LEU . . . . . 0.711 HD13 ' HD2' ' A' ' 656' ' ' PRO . 12.8 mt -99.38 99.95 10.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 72.05 109.295 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 641' ' ' GLU . . . . . 0.691 ' HB2' HD11 ' A' ' 555' ' ' LEU . 5.3 mt-10 -73.74 120.5 19.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.103 . . . . 74.24 110.257 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 642' ' ' THR . . . . . 0.881 HG21 HD12 ' A' ' 647' ' ' ILE . 0.3 OUTLIER -128.56 160.11 64.35 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 54.22 110.424 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 3.29 5.77 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.48 1.779 . . . . 62.1 110.976 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -115.62 -0.76 12.9 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.548 1.155 . . . . 73.35 110.313 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 118.65 129.56 4.02 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.551 1.157 . . . . 55.23 110.955 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 646' ' ' ARG . . . . . 0.556 ' HB3' HD11 ' A' ' 639' ' ' LEU . 0.1 OUTLIER -45.13 142.61 1.88 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 0.766 . . . . 65.32 110.3 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 647' ' ' ILE . . . . . 0.881 HD12 HG21 ' A' ' 642' ' ' THR . 13.3 mt -122.1 136.75 57.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 75.51 109.312 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 648' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -134.07 112.52 11.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 72.23 110.284 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 649' ' ' ALA . . . . . 0.434 ' CB ' ' HB2' ' A' ' 654' ' ' ARG . . . -111.53 179.85 3.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 32.43 109.295 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 650' ' ' LYS . . . . . 0.416 ' C ' ' CG1' ' A' ' 635' ' ' VAL . 30.3 mttt -112.02 -23.96 10.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 71.22 109.288 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 651' ' ' LYS . . . . . 0.993 ' C ' HG11 ' A' ' 635' ' ' VAL . 0.6 OUTLIER -124.85 143.79 50.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 73.53 109.313 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 652' ' ' TRP . . . . . 0.645 ' N ' HG11 ' A' ' 635' ' ' VAL . 72.6 m95 -64.54 -16.05 61.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.167 . . . . 64.13 107.989 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 4.7 m -65.43 -10.86 37.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 65.52 109.967 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 654' ' ' ARG . . . . . 0.434 ' HB2' ' CB ' ' A' ' 649' ' ' ALA . 11.0 mmt180 -103.48 -27.35 12.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 62.55 110.334 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 655' ' ' VAL . . . . . 0.88 HG23 HG21 ' A' ' 635' ' ' VAL . 2.4 t -40.31 123.59 1.73 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.132 . . . . 65.05 109.272 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 656' ' ' PRO . . . . . 0.711 ' HD2' HD13 ' A' ' 640' ' ' LEU . 18.3 Cg_endo -74.98 -48.66 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.479 1.779 . . . . 74.44 111.014 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 657' ' ' PHE . . . . . 1.116 ' CE1' HG22 ' A' ' 659' ' ' VAL . 19.0 p90 -64.15 148.25 50.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 74.04 111.004 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.11 138.27 39.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 72.42 110.012 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 659' ' ' VAL . . . . . 1.116 HG22 ' CE1' ' A' ' 657' ' ' PHE . 2.5 t -118.57 99.77 51.37 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 73.25 109.29 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 660' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 147.32 33.65 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.487 1.782 . . . . 63.31 110.999 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 661' ' ' ASP . . . . . 0.422 ' HA ' ' O ' ' A' ' 571' ' ' LYS . 0.5 OUTLIER -75.15 145.58 42.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 72.02 109.26 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 662' ' ' PHE . . . . . 0.888 ' CZ ' HG11 ' A' ' 628' ' ' VAL . 27.0 t80 -61.22 141.24 57.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 72.11 110.978 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 663' ' ' ASP . . . . . 0.448 ' OD2' ' N ' ' A' ' 663' ' ' ASP . 0.1 OUTLIER -133.06 89.86 2.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 75.34 109.293 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 664' ' ' PHE . . . . . 0.498 ' O ' ' CB ' ' A' ' 668' ' ' CYS . 16.1 t80 -42.09 -38.31 1.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 75.21 111.031 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 9.3 mt -48.46 -59.51 3.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 72.43 109.305 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 666' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 669' ' ' ALA . 16.5 tp60 -75.44 -56.09 5.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 53.33 110.326 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 667' ' ' HIS . . . . . 0.925 ' CE1' HG11 ' A' ' 580' ' ' VAL . 4.8 t-80 -44.28 -27.84 0.46 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 73.34 109.627 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 668' ' ' CYS . . . . . 0.498 ' CB ' ' O ' ' A' ' 664' ' ' PHE . 49.8 t -88.18 -42.58 12.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 61.33 108.277 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 669' ' ' ALA . . . . . 0.642 ' O ' HD23 ' A' ' 675' ' ' LEU . . . -66.1 -11.46 49.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 53.33 109.312 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 670' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -114.61 -2.14 13.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 74.14 110.309 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -110.84 -14.78 13.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 72.43 109.338 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 19.5 mt -102.93 -176.05 2.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 74.42 109.298 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 70.3 m -118.09 3.05 12.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 74.32 109.994 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -49.87 -25.11 2.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.44 1.087 . . . . 74.44 109.252 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 675' ' ' LEU . . . . . 0.642 HD23 ' O ' ' A' ' 669' ' ' ALA . 1.4 mm? -89.62 -45.34 9.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 64.13 109.305 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 676' ' ' SER . . . . . . . . . . . . . 30.7 m -173.94 144.0 0.99 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 72.25 109.978 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 10.9 mt -62.26 -52.6 63.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 74.51 109.283 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 50.9 t0 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 73.52 109.338 179.972 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 679' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 111.014 -0.834 . . . . 41.31 111.014 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -88.33 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.45 1.763 . . . . 61.31 110.995 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 544' ' ' HIS . . . . . 0.413 ' O ' ' N ' ' A' ' 546' ' ' GLN . 29.8 m170 54.21 52.3 12.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 74.1 109.588 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 545' ' ' MET . . . . . 0.512 ' O ' ' CE2' ' A' ' 547' ' ' PHE . 2.9 mpp? -60.53 83.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.082 . . . . 71.23 110.963 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 546' ' ' GLN . . . . . 0.538 ' O ' ' CG ' ' A' ' 547' ' ' PHE . 1.3 pt20 -80.72 168.42 18.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 72.23 110.269 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 547' ' ' PHE . . . . . 0.538 ' CG ' ' O ' ' A' ' 546' ' ' GLN . 94.6 m-85 -162.55 94.53 1.21 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 72.12 110.977 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 548' ' ' PRO . . . . . 0.45 ' HB2' ' CG ' ' A' ' 550' ' ' GLU . 18.3 Cg_endo -74.98 134.96 18.5 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.527 1.804 . . . . 71.03 111.022 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 549' ' ' VAL . . . . . 0.551 HG12 ' HB2' ' A' ' 657' ' ' PHE . 31.4 m -47.83 -41.38 8.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 64.12 109.26 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 550' ' ' GLU . . . . . 0.45 ' CG ' ' HB2' ' A' ' 548' ' ' PRO . 2.7 pt-20 -55.95 -35.94 67.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 73.31 110.288 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 14.6 m170 -82.98 -26.0 31.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 73.31 109.604 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 552' ' ' VAL . . . . . 0.614 HG21 ' HB3' ' A' ' 657' ' ' PHE . 55.9 t -87.16 120.63 36.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 72.21 109.29 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 553' ' ' GLN . . . . . 0.545 HE21 HD21 ' A' ' 555' ' ' LEU . 16.9 tt0 -112.26 142.94 44.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 64.53 110.297 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 554' ' ' LEU . . . . . 0.962 HD11 HD23 ' A' ' 569' ' ' LEU . 2.0 mt -83.22 113.95 21.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 74.12 109.301 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 555' ' ' LEU . . . . . 0.822 HD23 ' CA ' ' A' ' 562' ' ' ALA . 0.3 OUTLIER -132.8 179.78 5.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.09 . . . . 72.43 109.307 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 556' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 559' ' ' CYS . 14.0 t -107.94 105.19 14.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.005 -0.998 . . . . 50.55 110.895 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 557' ' ' ILE . . . . . 0.956 ' HA ' HD23 ' A' ' 639' ' ' LEU . 1.2 pt -37.81 -32.91 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.51 1.131 . . . . 41.04 109.289 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 558' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 556' ' ' CYS . 8.7 m-20 -83.33 -48.32 10.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 63.12 109.317 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 559' ' ' CYS . . . . . 0.619 ' O ' HG13 ' A' ' 561' ' ' VAL . 0.5 OUTLIER -123.3 70.05 1.03 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 73.5 108.283 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 560' ' ' MET . . . . . 0.459 ' N ' ' O ' ' A' ' 556' ' ' CYS . 6.5 mtm -63.27 71.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 55.11 111.009 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 561' ' ' VAL . . . . . 0.619 HG13 ' O ' ' A' ' 559' ' ' CYS . 0.9 OUTLIER -112.58 2.89 8.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.122 . . . . 72.44 109.3 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 562' ' ' ALA . . . . . 0.822 ' CA ' HD23 ' A' ' 555' ' ' LEU . . . 75.22 105.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 65.14 109.29 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 563' ' ' VAL . . . . . 0.682 HG12 ' CD1' ' A' ' 587' ' ' TYR . 1.6 m -104.36 -7.98 9.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 74.04 109.317 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -176.18 -161.81 25.94 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.479 1.112 . . . . 54.13 111.014 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 565' ' ' HIS . . . . . . . . . . . . . 27.5 m80 -126.76 146.85 50.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 0.737 . . . . 75.22 109.597 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . -72.96 -9.12 75.31 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.549 1.156 . . . . 63.51 111.026 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 9.4 t -108.98 10.48 26.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 0.765 . . . . 73.04 109.992 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -111.4 -26.74 8.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 70.04 109.292 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 569' ' ' LEU . . . . . 0.962 HD23 HD11 ' A' ' 554' ' ' LEU . 0.1 OUTLIER -78.54 165.7 23.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 63.34 109.344 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 570' ' ' ARG . . . . . 0.422 ' CG ' ' O ' ' A' ' 569' ' ' LEU . 6.0 mtt85 -163.78 151.27 12.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.095 . . . . 75.45 110.242 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 571' ' ' LYS . . . . . 0.565 ' HE2' ' CE1' ' A' ' 577' ' ' HIS . 13.8 ttmt -74.32 158.79 33.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 75.05 109.265 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 572' ' ' VAL . . . . . 0.523 HG23 HG22 ' A' ' 578' ' ' VAL . 2.9 t -98.58 99.73 9.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.535 1.147 . . . . 75.1 109.302 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 573' ' ' GLU . . . . . 0.449 ' CG ' ' O ' ' A' ' 572' ' ' VAL . 10.5 pt-20 45.66 25.55 0.27 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.524 1.14 . . . . 75.02 110.326 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 574' ' ' GLY . . . . . 0.404 ' N ' ' C ' ' A' ' 572' ' ' VAL . . . 75.49 41.08 30.97 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.496 1.123 . . . . 33.2 111.05 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 575' ' ' THR . . . . . 0.413 ' N ' ' O ' ' A' ' 572' ' ' VAL . 21.9 m -113.6 -74.91 0.61 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 0.794 . . . . 72.13 110.437 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 19.0 m80 -126.0 177.59 6.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 74.3 109.579 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 577' ' ' HIS . . . . . 0.771 ' ND1' HG11 ' A' ' 659' ' ' VAL . 19.6 m-70 -100.98 128.11 47.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 75.32 109.631 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 578' ' ' VAL . . . . . 0.623 HG12 HG22 ' A' ' 632' ' ' VAL . 16.0 m -142.29 111.29 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 64.4 109.334 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 579' ' ' ASN . . . . . 0.61 ' ND2' ' CE1' ' A' ' 584' ' ' PHE . 9.8 t30 -81.14 110.82 17.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 74.51 109.316 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 580' ' ' VAL . . . . . 0.88 HG22 HD22 ' A' ' 630' ' ' LEU . 2.7 t -79.21 137.63 21.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.538 1.149 . . . . 53.21 109.296 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 581' ' ' ASN . . . . . 0.442 ' CB ' ' HB2' ' A' ' 584' ' ' PHE . 3.0 m120 177.46 129.39 0.2 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 62.54 109.262 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 582' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -30.74 6.81 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.523 1.802 . . . . 73.44 111.025 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 583' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -82.3 -1.79 50.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 65.24 109.335 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 584' ' ' PHE . . . . . 0.61 ' CE1' ' ND2' ' A' ' 579' ' ' ASN . 3.4 t80 -70.94 -32.76 69.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 63.3 111.022 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 585' ' ' SER . . . . . 0.522 ' HA ' ' CE2' ' A' ' 588' ' ' TYR . 30.7 t -60.37 -23.76 64.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 64.32 110.015 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -87.41 -12.79 45.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.57 1.169 . . . . 75.53 109.32 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 587' ' ' TYR . . . . . 0.682 ' CD1' HG12 ' A' ' 563' ' ' VAL . 5.0 m-85 -97.88 7.65 46.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 71.31 111.004 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 588' ' ' TYR . . . . . 0.838 ' CD1' HG23 ' A' ' 610' ' ' ILE . 1.1 p90 -166.72 158.92 13.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 72.43 110.979 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 589' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -127.55 129.29 47.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 73.3 109.276 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 590' ' ' VAL . . . . . 0.683 HG23 ' HE1' ' A' ' 588' ' ' TYR . 10.0 t -72.43 135.15 28.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 31.35 109.294 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 4.7 m -50.15 171.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 75.3 109.98 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 33.0 ttt-85 -63.01 -56.27 18.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 65.42 110.275 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.02 148.71 69.72 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 75.1 109.295 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 594' ' ' PRO . . . . . 0.404 ' O ' ' O ' ' A' ' 607' ' ' GLY . 18.5 Cg_endo -74.91 -89.89 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.507 1.793 . . . . 73.43 111.004 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 4.0 t -105.45 129.16 58.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 75.22 109.319 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 596' ' ' VAL . . . . . . . . . . . . . 2.1 t -135.35 91.26 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 34.25 109.316 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 597' ' ' ILE . . . . . 0.685 HD11 ' CD2' ' A' ' 621' ' ' LEU . 3.0 mm -139.56 153.63 23.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 73.44 109.269 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 598' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -68.71 -47.28 66.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 72.44 109.32 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 599' ' ' LYS . . . . . 0.502 ' HE2' ' CD2' ' A' ' 601' ' ' PHE . 0.1 OUTLIER -135.66 130.71 34.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 53.24 109.304 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 600' ' ' VAL . . . . . . . . . . . . . 4.3 t -85.4 156.52 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 72.14 109.315 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 601' ' ' PHE . . . . . 0.502 ' CD2' ' HE2' ' A' ' 599' ' ' LYS . 7.8 m-85 -120.02 166.34 13.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 73.51 110.97 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 602' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 603' ' ' ASP . 43.7 mmtt -101.39 -50.28 3.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 74.43 109.267 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 603' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 602' ' ' LYS . 1.3 m-20 -40.52 -41.73 1.5 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 74.44 109.284 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 604' ' ' TRP . . . . . 0.526 ' CZ3' ' SD ' ' A' ' 623' ' ' MET . 0.6 OUTLIER -157.15 139.63 14.83 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.956 -1.127 . . . . 74.23 107.956 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 605' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -94.33 153.59 40.49 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 64.31 109.275 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 606' ' ' PRO . . . . . 0.403 ' O ' ' CD1' ' A' ' 624' ' ' ILE . 18.3 Cg_endo -74.98 -162.53 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.549 1.816 . . . . 74.21 111.016 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 607' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 622' ' ' GLN . . . -148.82 -110.78 0.57 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.494 1.121 . . . . 73.24 111.001 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 608' ' ' GLY . . . . . 0.415 ' O ' ' HA ' ' A' ' 621' ' ' LEU . . . -143.37 158.81 27.39 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.975 -0.85 . . . . 72.3 110.975 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 76.6 t -64.27 127.8 25.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.533 0.784 . . . . 63.42 109.313 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 610' ' ' ILE . . . . . 0.838 HG23 ' CD1' ' A' ' 588' ' ' TYR . 0.8 OUTLIER -97.33 156.81 3.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 74.15 109.274 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -155.89 128.35 7.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 62.33 110.002 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 612' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 616' ' ' GLY . 17.0 t -54.9 119.58 5.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 71.33 108.276 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -74.3 -27.5 60.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 75.52 110.328 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 614' ' ' ASN . . . . . 0.421 ' OD1' HG22 ' A' ' 561' ' ' VAL . 14.0 m120 -61.25 -28.09 68.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 64.25 109.291 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 615' ' ' CYS . . . . . . . . . . . . . 1.8 m -138.41 -73.02 0.4 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 71.33 108.293 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 616' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 153.48 -19.58 0.7 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.465 1.103 . . . . 64.41 111.033 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -41.95 105.55 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 0.739 . . . . 62.0 110.34 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 24.9 t -52.02 138.61 9.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 72.45 109.287 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 619' ' ' TRP . . . . . 0.756 ' CE2' ' HE3' ' A' ' 638' ' ' MET . 40.7 m0 -98.85 -46.28 5.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 71.5 108.021 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 620' ' ' GLY . . . . . . . . . . . . . . . 164.45 -101.57 0.19 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.481 1.113 . . . . 44.43 110.951 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 621' ' ' LEU . . . . . 0.702 ' C ' HD12 ' A' ' 621' ' ' LEU . 0.4 OUTLIER -158.25 168.63 26.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 0.772 . . . . 52.21 109.321 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 622' ' ' GLN . . . . . 0.487 ' OE1' ' CE ' ' A' ' 629' ' ' LYS . 0.5 OUTLIER -100.65 136.4 40.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 74.44 110.289 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 623' ' ' MET . . . . . 0.734 ' HG3' HG21 ' A' ' 632' ' ' VAL . 5.7 mmt -121.77 136.48 54.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 70.14 111.008 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 624' ' ' ILE . . . . . 0.403 ' CD1' ' O ' ' A' ' 606' ' ' PRO . 4.7 mp -108.17 144.64 16.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 73.54 109.295 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 625' ' ' TYR . . . . . 0.563 ' C ' ' CD1' ' A' ' 625' ' ' TYR . 0.1 OUTLIER -147.57 106.43 3.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 74.3 110.99 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 626' ' ' LYS . . . . . 0.502 ' O ' ' CB ' ' A' ' 627' ' ' SER . 0.8 OUTLIER 67.47 22.7 9.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 72.4 109.297 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 627' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.2 p 85.15 37.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 54.11 110.027 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 628' ' ' VAL . . . . . 0.758 ' CG1' HD21 ' A' ' 630' ' ' LEU . 53.8 t -121.93 110.63 27.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 63.04 109.295 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 629' ' ' LYS . . . . . 0.487 ' CE ' ' OE1' ' A' ' 622' ' ' GLN . 4.9 mmmm -71.61 100.37 2.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 73.12 109.295 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 630' ' ' LEU . . . . . 0.88 HD22 HG22 ' A' ' 580' ' ' VAL . 41.8 mt -118.11 111.83 38.47 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 70.33 109.304 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 631' ' ' PRO . . . . . 0.737 ' HB2' HD11 ' A' ' 633' ' ' LEU . 18.4 Cg_endo -74.97 134.65 18.13 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.561 1.822 . . . . 73.25 111.013 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 632' ' ' VAL . . . . . 0.944 ' C ' HD13 ' A' ' 633' ' ' LEU . 20.4 t -98.72 106.95 19.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 75.52 109.319 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 633' ' ' LEU . . . . . 0.944 HD13 ' C ' ' A' ' 632' ' ' VAL . 0.0 OUTLIER -110.11 171.74 7.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.125 . . . . 62.02 109.278 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 634' ' ' LYS . . . . . 0.49 ' CD ' ' O ' ' A' ' 619' ' ' TRP . 5.5 mtpt -100.43 -173.77 2.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 65.24 109.293 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 635' ' ' VAL . . . . . 0.912 HG11 ' C ' ' A' ' 651' ' ' LYS . 9.2 p -106.8 -30.75 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 65.33 109.295 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 636' ' ' ARG . . . . . 0.721 ' O ' HD13 ' A' ' 557' ' ' ILE . 7.9 ptt180 -82.77 -0.74 49.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 74.23 110.26 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 16.2 t -111.77 -13.46 13.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 75.43 109.986 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 638' ' ' MET . . . . . 0.756 ' HE3' ' CE2' ' A' ' 619' ' ' TRP . 32.3 mmt -109.01 125.5 52.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 63.3 110.962 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 639' ' ' LEU . . . . . 0.956 HD23 ' HA ' ' A' ' 557' ' ' ILE . 0.0 OUTLIER -88.16 134.38 33.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 73.0 109.287 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 640' ' ' LEU . . . . . 0.554 HD21 ' HE1' ' A' ' 657' ' ' PHE . 0.1 OUTLIER -106.32 96.18 6.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 70.24 109.313 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 641' ' ' GLU . . . . . 0.811 ' HB2' HD11 ' A' ' 555' ' ' LEU . 4.7 mt-10 -73.29 125.19 27.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 73.12 110.322 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 642' ' ' THR . . . . . 0.692 HG21 HD12 ' A' ' 647' ' ' ILE . 0.1 OUTLIER -135.33 160.28 68.61 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 72.31 110.364 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 2.26 6.85 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.506 1.793 . . . . 74.35 110.982 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -108.71 -10.26 15.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 73.43 110.273 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 125.29 140.1 5.34 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.528 1.143 . . . . 74.02 111.017 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 49.5 mtm-85 -46.09 153.16 0.33 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 0.747 . . . . 73.33 110.264 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 647' ' ' ILE . . . . . 0.692 HD12 HG21 ' A' ' 642' ' ' THR . 49.2 mt -139.07 126.08 25.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 60.23 109.337 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 648' ' ' GLN . . . . . 0.732 ' OE1' HD12 ' A' ' 557' ' ' ILE . 0.0 OUTLIER -125.41 95.83 4.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 74.02 110.26 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 649' ' ' ALA . . . . . . . . . . . . . . . -88.2 178.28 6.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 74.44 109.299 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 60.7 mttt -110.76 -24.43 10.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 71.43 109.305 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 651' ' ' LYS . . . . . 0.912 ' C ' HG11 ' A' ' 635' ' ' VAL . 2.0 mppt? -133.67 160.11 38.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 71.44 109.267 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 652' ' ' TRP . . . . . 0.814 ' HA ' HG23 ' A' ' 655' ' ' VAL . 63.8 m95 -74.39 -5.88 44.96 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.981 -1.118 . . . . 75.12 107.981 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 9.0 t -70.56 -16.97 62.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 65.1 110.001 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 654' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 655' ' ' VAL . 6.5 mmm180 -100.53 -15.15 17.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 75.34 110.265 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 655' ' ' VAL . . . . . 0.814 HG23 ' HA ' ' A' ' 652' ' ' TRP . 5.2 t -39.98 116.5 1.2 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 63.43 109.29 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 656' ' ' PRO . . . . . 0.481 ' HD2' HD23 ' A' ' 640' ' ' LEU . 18.3 Cg_endo -75.01 -40.63 0.83 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.49 1.784 . . . . 75.14 110.985 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 657' ' ' PHE . . . . . 1.013 ' CE2' HG22 ' A' ' 659' ' ' VAL . 38.8 p90 -75.07 155.92 36.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 63.04 111.017 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 1.4 m -81.53 141.63 33.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 74.32 110.007 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 659' ' ' VAL . . . . . 1.013 HG22 ' CE2' ' A' ' 657' ' ' PHE . 1.9 t -129.63 95.27 29.99 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 73.4 109.323 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 660' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 147.83 34.34 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.532 1.806 . . . . 63.13 110.995 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 661' ' ' ASP . . . . . 0.439 ' OD2' ' N ' ' A' ' 661' ' ' ASP . 0.9 OUTLIER -73.05 158.92 34.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 43.14 109.294 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 662' ' ' PHE . . . . . 0.519 ' CZ ' ' CG ' ' A' ' 667' ' ' HIS . 4.6 t80 -73.06 122.12 21.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 75.42 111.019 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 663' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 666' ' ' GLN . 6.9 m-20 -120.6 98.65 6.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 71.34 109.314 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 664' ' ' PHE . . . . . 0.484 ' O ' ' CB ' ' A' ' 668' ' ' CYS . 8.9 t80 -37.59 -37.9 0.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 72.41 110.995 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 13.6 mt -60.46 -53.41 57.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 62.51 109.352 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 666' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 669' ' ' ALA . 18.3 tp60 -68.45 -60.8 2.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 65.34 110.295 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 667' ' ' HIS . . . . . 0.519 ' CG ' ' CZ ' ' A' ' 662' ' ' PHE . 3.7 t60 -46.56 -25.82 0.77 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 62.15 109.618 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 668' ' ' CYS . . . . . 0.484 ' CB ' ' O ' ' A' ' 664' ' ' PHE . 17.3 t -82.86 -43.21 16.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 54.32 108.272 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 669' ' ' ALA . . . . . 0.679 ' CB ' HD23 ' A' ' 675' ' ' LEU . . . -70.53 -11.5 60.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 72.54 109.276 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 670' ' ' GLU . . . . . 0.417 ' OE2' ' NH2' ' A' ' 570' ' ' ARG . 12.7 mt-10 -84.95 -23.42 28.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 64.21 110.306 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 671' ' ' ASN . . . . . 0.433 ' C ' HD23 ' A' ' 672' ' ' LEU . 4.5 m-80 -101.74 -30.81 11.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 74.41 109.331 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 672' ' ' LEU . . . . . 0.433 HD23 ' C ' ' A' ' 671' ' ' ASN . 3.1 mt -97.29 -58.16 2.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 74.15 109.286 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 1.3 m 65.46 20.79 11.78 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.545 1.153 . . . . 71.12 109.965 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -72.02 -15.07 62.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 64.44 109.272 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 675' ' ' LEU . . . . . 0.699 ' H ' HD22 ' A' ' 675' ' ' LEU . 0.2 OUTLIER -84.25 -67.42 0.8 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 74.05 109.32 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 676' ' ' SER . . . . . . . . . . . . . 36.4 m -167.49 152.22 6.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 51.55 110.003 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 677' ' ' LEU . . . . . 0.608 ' N ' HD12 ' A' ' 677' ' ' LEU . 1.7 mp -87.59 -55.68 3.68 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.147 . . . . 74.12 109.27 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 9.8 t70 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 74.22 109.332 -179.98 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 679' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 111.004 -0.838 . . . . 51.12 111.004 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -87.86 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.515 1.797 . . . . 61.31 110.992 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 11.1 m-70 -81.37 150.73 28.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 73.21 109.555 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 545' ' ' MET . . . . . . . . . . . . . 27.1 mtp -108.3 75.94 1.01 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 72.41 111.026 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 546' ' ' GLN . . . . . 0.513 ' C ' ' CD1' ' A' ' 547' ' ' PHE . 2.3 pt20 -115.94 159.63 21.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 75.44 110.317 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 547' ' ' PHE . . . . . 0.642 ' CD1' ' N ' ' A' ' 547' ' ' PHE . 0.1 OUTLIER -148.66 97.24 3.74 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 74.15 110.95 -179.923 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 548' ' ' PRO . . . . . 0.52 ' HG2' ' CG ' ' A' ' 551' ' ' HIS . 18.3 Cg_endo -75.01 129.63 12.51 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.543 1.812 . . . . 62.35 110.986 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 549' ' ' VAL . . . . . 0.697 HG12 ' HB2' ' A' ' 657' ' ' PHE . 33.3 m -47.81 -39.91 7.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 73.52 109.269 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 550' ' ' GLU . . . . . 0.46 ' CG ' ' HB2' ' A' ' 548' ' ' PRO . 4.8 pt-20 -56.77 -36.71 70.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 65.42 110.284 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 551' ' ' HIS . . . . . 0.52 ' CG ' ' HG2' ' A' ' 548' ' ' PRO . 43.9 m170 -84.57 -23.18 29.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 73.54 109.643 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 552' ' ' VAL . . . . . 0.58 HG11 ' CD2' ' A' ' 657' ' ' PHE . 84.0 t -83.08 118.86 31.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 70.44 109.307 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 553' ' ' GLN . . . . . 0.807 ' HB3' HD11 ' A' ' 555' ' ' LEU . 9.0 tt0 -110.81 169.99 8.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 73.13 110.347 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 554' ' ' LEU . . . . . 0.706 ' C ' HD12 ' A' ' 555' ' ' LEU . 2.9 mt -110.04 106.19 15.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 62.44 109.329 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 555' ' ' LEU . . . . . 0.865 HD12 ' N ' ' A' ' 555' ' ' LEU . 0.0 OUTLIER -123.32 168.37 12.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 75.51 109.307 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 556' ' ' CYS . . . . . 0.616 ' O ' ' N ' ' A' ' 560' ' ' MET . 4.2 t -99.37 106.89 19.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.001 -0.999 . . . . 75.2 110.938 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 557' ' ' ILE . . . . . 0.804 HD13 ' O ' ' A' ' 636' ' ' ARG . 1.0 OUTLIER -36.32 -32.2 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 63.34 109.335 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 558' ' ' ASN . . . . . 0.498 ' N ' ' O ' ' A' ' 556' ' ' CYS . 3.0 m120 -80.72 -66.3 0.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 73.21 109.248 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 559' ' ' CYS . . . . . 0.482 ' O ' ' HB2' ' A' ' 560' ' ' MET . 28.1 m -71.25 -63.52 1.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 73.52 108.264 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 560' ' ' MET . . . . . 0.686 ' SD ' HD23 ' A' ' 639' ' ' LEU . 6.7 mtm 69.19 52.48 0.48 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 64.22 111.004 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 561' ' ' VAL . . . . . 0.702 ' O ' ' HB3' ' A' ' 562' ' ' ALA . 1.4 m -117.61 -7.35 11.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 75.33 109.29 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 562' ' ' ALA . . . . . 0.702 ' HB3' ' O ' ' A' ' 561' ' ' VAL . . . 84.55 107.64 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 75.31 109.325 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 563' ' ' VAL . . . . . 0.49 ' HA ' ' CD2' ' A' ' 587' ' ' TYR . 0.3 OUTLIER -107.11 -4.76 10.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 75.14 109.298 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -173.37 -152.98 9.2 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.529 1.143 . . . . 62.03 111.035 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 565' ' ' HIS . . . . . . . . . . . . . 35.6 m80 -136.81 154.05 50.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.454 0.738 . . . . 65.03 109.593 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 566' ' ' GLY . . . . . 0.549 ' O ' HD11 ' A' ' 569' ' ' LEU . . . -80.81 -11.36 84.0 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.458 1.099 . . . . 42.32 111.008 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 32.7 t -104.98 5.67 32.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 0.77 . . . . 53.1 109.985 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -113.19 -13.98 12.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 70.4 109.277 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 569' ' ' LEU . . . . . 0.858 HD21 ' CZ ' ' A' ' 657' ' ' PHE . 0.2 OUTLIER -79.62 150.15 31.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 70.22 109.3 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 570' ' ' ARG . . . . . 0.699 ' HA ' HG23 ' A' ' 659' ' ' VAL . 75.5 mtt85 -132.51 149.6 52.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 73.1 110.334 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 571' ' ' LYS . . . . . 0.464 ' CD ' ' O ' ' A' ' 659' ' ' VAL . 20.9 ptmt -101.67 153.38 19.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 74.43 109.277 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 572' ' ' VAL . . . . . 0.472 HG12 ' HG2' ' A' ' 573' ' ' GLU . 2.6 t -111.72 104.21 16.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 74.21 109.308 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 573' ' ' GLU . . . . . 0.472 ' HG2' HG12 ' A' ' 572' ' ' VAL . 9.6 pt-20 42.83 36.16 0.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 73.3 110.315 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 44.45 45.74 8.45 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.513 1.133 . . . . 52.44 110.992 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 575' ' ' THR . . . . . 0.507 ' O ' ' CG ' ' A' ' 576' ' ' HIS . 1.3 m -112.73 -35.57 5.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 0.773 . . . . 72.01 110.361 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 576' ' ' HIS . . . . . 0.507 ' CG ' ' O ' ' A' ' 575' ' ' THR . 10.7 m80 -168.13 106.09 0.49 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 75.1 109.598 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 577' ' ' HIS . . . . . 0.706 ' CD2' ' CE3' ' A' ' 652' ' ' TRP . 4.7 m80 -44.7 151.22 0.3 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 72.54 109.575 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 578' ' ' VAL . . . . . 0.95 HG12 HG22 ' A' ' 632' ' ' VAL . 2.6 m -154.86 108.38 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 73.21 109.336 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 579' ' ' ASN . . . . . 0.462 ' HB3' ' CD2' ' A' ' 633' ' ' LEU . 3.4 t30 -83.99 119.06 24.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 71.43 109.312 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 580' ' ' VAL . . . . . 0.754 HG13 ' CD2' ' A' ' 630' ' ' LEU . 2.3 t -91.08 143.02 12.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 72.41 109.307 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 581' ' ' ASN . . . . . 0.451 ' CB ' ' HB2' ' A' ' 584' ' ' PHE . 1.2 m120 179.01 132.66 0.23 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 63.2 109.308 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 582' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -49.09 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.485 1.782 . . . . 75.51 110.975 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 583' ' ' ASN . . . . . . . . . . . . . 12.7 m-20 -60.61 -15.6 29.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 70.34 109.302 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 584' ' ' PHE . . . . . 0.577 ' CE2' ' CZ3' ' A' ' 619' ' ' TRP . 2.0 t80 -61.0 -36.93 80.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 72.11 110.999 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 585' ' ' SER . . . . . 0.533 ' HA ' ' CE2' ' A' ' 588' ' ' TYR . 1.5 t -56.5 -29.58 62.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 55.2 109.967 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -87.18 -16.88 34.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 72.15 109.304 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 587' ' ' TYR . . . . . 0.49 ' CD2' ' HA ' ' A' ' 563' ' ' VAL . 8.5 m-30 -89.48 -10.04 47.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 62.22 110.984 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 588' ' ' TYR . . . . . 0.708 ' HE1' HG23 ' A' ' 590' ' ' VAL . 1.9 p90 -147.1 157.75 43.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 70.22 110.98 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 589' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -123.6 129.3 50.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.162 . . . . 74.31 109.285 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 590' ' ' VAL . . . . . 0.709 HG13 ' HA3' ' A' ' 608' ' ' GLY . 7.4 t -76.31 137.06 23.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 75.5 109.288 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 591' ' ' SER . . . . . 0.413 ' OG ' ' N ' ' A' ' 592' ' ' ARG . 3.8 t -56.3 174.53 0.13 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 54.54 110.012 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 592' ' ' ARG . . . . . 0.413 ' N ' ' OG ' ' A' ' 591' ' ' SER . 33.9 mtt85 -82.03 -41.16 21.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 65.42 110.283 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.8 152.6 6.77 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.132 . . . . 74.15 109.267 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -89.71 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.472 1.775 . . . . 74.02 110.987 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 595' ' ' VAL . . . . . 0.442 HG13 ' HB2' ' A' ' 606' ' ' PRO . 3.8 t -106.23 129.11 60.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.1 . . . . 72.42 109.324 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 596' ' ' VAL . . . . . . . . . . . . . 2.2 t -134.82 78.11 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.117 . . . . 63.11 109.304 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 597' ' ' ILE . . . . . 0.534 ' CD1' ' CE ' ' A' ' 623' ' ' MET . 2.4 mt -144.34 140.99 24.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 75.43 109.307 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 598' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -43.58 -53.19 5.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 72.52 109.296 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.04 143.75 29.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 65.23 109.287 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 600' ' ' VAL . . . . . 0.77 HG13 ' HD3' ' A' ' 606' ' ' PRO . 5.7 t -81.38 136.17 23.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 74.24 109.27 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 601' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -107.51 168.13 9.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 71.42 110.994 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 11.3 tmtt? -90.82 -44.25 9.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 73.33 109.309 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -40.2 -36.95 0.57 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.459 1.099 . . . . 71.14 109.292 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 604' ' ' TRP . . . . . 0.689 ' HZ3' HG11 ' A' ' 578' ' ' VAL . 0.2 OUTLIER -157.11 176.33 12.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 72.2 108.009 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 605' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.85 151.16 47.01 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 70.15 109.287 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 606' ' ' PRO . . . . . 0.77 ' HD3' HG13 ' A' ' 600' ' ' VAL . 18.3 Cg_endo -75.03 127.9 11.03 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.547 1.814 . . . . 73.42 111.017 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 607' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 622' ' ' GLN . . . -97.23 -117.88 3.61 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.504 1.128 . . . . 63.11 111.004 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 608' ' ' GLY . . . . . 0.709 ' HA3' HG13 ' A' ' 590' ' ' VAL . . . -133.34 148.08 19.23 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.003 -0.839 . . . . 65.24 111.003 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 24.7 t -54.11 125.68 9.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 0.755 . . . . 63.21 109.274 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 610' ' ' ILE . . . . . 0.672 HG23 ' CD1' ' A' ' 588' ' ' TYR . 0.7 OUTLIER -91.35 144.89 8.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.151 . . . . 61.45 109.273 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.86 131.85 29.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 55.11 109.966 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 612' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 616' ' ' GLY . 35.8 t -61.82 107.9 0.92 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.443 1.09 . . . . 63.35 108.289 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 11.4 ttt180 -66.47 -33.03 74.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 70.53 110.32 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 614' ' ' ASN . . . . . 0.4 HD21 ' HA ' ' A' ' 614' ' ' ASN . 7.3 m120 -56.8 -41.78 78.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 61.13 109.319 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 615' ' ' CYS . . . . . 0.42 ' N ' ' SG ' ' A' ' 559' ' ' CYS . 0.8 OUTLIER -126.95 -74.24 0.6 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 42.24 108.277 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 616' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 160.29 -24.29 0.28 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.495 1.122 . . . . 44.44 110.984 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -42.13 106.68 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 0.739 . . . . 72.33 110.311 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 618' ' ' VAL . . . . . 0.51 HG13 ' O ' ' A' ' 610' ' ' ILE . 78.2 t -56.9 140.66 14.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 64.22 109.235 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 619' ' ' TRP . . . . . 0.577 ' CZ3' ' CE2' ' A' ' 584' ' ' PHE . 42.2 m0 -98.07 -42.62 7.39 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.961 -1.126 . . . . 71.31 107.961 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 620' ' ' GLY . . . . . . . . . . . . . . . 163.59 -108.15 0.33 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.508 1.13 . . . . 65.33 110.959 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 621' ' ' LEU . . . . . 0.777 HD22 ' C ' ' A' ' 621' ' ' LEU . 0.0 OUTLIER -152.7 154.27 34.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 0.748 . . . . 75.31 109.298 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 622' ' ' GLN . . . . . 0.601 ' N ' HD22 ' A' ' 621' ' ' LEU . 1.6 tt0 -86.66 134.97 33.57 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.143 . . . . 74.53 110.263 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 623' ' ' MET . . . . . 0.539 ' SD ' ' CG ' ' A' ' 604' ' ' TRP . 4.8 mmt -115.24 126.2 54.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 71.55 111.008 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 624' ' ' ILE . . . . . 0.535 HD12 ' N ' ' A' ' 624' ' ' ILE . 1.7 mp -102.36 112.19 34.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 74.43 109.305 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 625' ' ' TYR . . . . . 0.519 ' C ' ' CD1' ' A' ' 625' ' ' TYR . 0.2 OUTLIER -112.8 108.67 17.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 74.54 110.998 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 626' ' ' LYS . . . . . 0.513 ' O ' ' CB ' ' A' ' 627' ' ' SER . 1.4 mmmt 65.37 21.48 11.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 72.43 109.321 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 627' ' ' SER . . . . . 0.513 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.2 p 86.6 40.7 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 73.34 110.026 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 628' ' ' VAL . . . . . 0.783 HG12 ' HG ' ' A' ' 630' ' ' LEU . 55.3 t -124.6 110.3 24.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 73.11 109.307 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 629' ' ' LYS . . . . . 0.409 ' O ' HD23 ' A' ' 630' ' ' LEU . 17.9 mmmt -67.81 99.18 0.79 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 74.41 109.285 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 630' ' ' LEU . . . . . 0.783 ' HG ' HG12 ' A' ' 628' ' ' VAL . 53.6 mt -119.78 111.81 35.67 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 63.2 109.306 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 631' ' ' PRO . . . . . 0.731 ' HB2' HD11 ' A' ' 633' ' ' LEU . 18.3 Cg_endo -75.03 126.54 10.02 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.547 1.814 . . . . 63.31 110.998 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 632' ' ' VAL . . . . . 0.95 HG22 HG12 ' A' ' 578' ' ' VAL . 41.5 t -98.24 101.97 12.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 71.1 109.297 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 633' ' ' LEU . . . . . 0.812 HD13 ' C ' ' A' ' 632' ' ' VAL . 0.0 OUTLIER -103.42 171.28 7.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.098 . . . . 75.22 109.287 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 3.0 mtpt -97.35 -177.01 3.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 74.44 109.266 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 635' ' ' VAL . . . . . 0.497 ' CG1' ' C ' ' A' ' 650' ' ' LYS . 7.5 p -104.11 -10.21 9.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 70.12 109.257 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 636' ' ' ARG . . . . . 0.804 ' O ' HD13 ' A' ' 557' ' ' ILE . 6.1 ptm180 -94.28 -23.58 17.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 75.11 110.303 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 6.8 p -90.96 -9.98 44.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 71.52 109.979 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 638' ' ' MET . . . . . 0.447 ' HA ' ' O ' ' A' ' 555' ' ' LEU . 32.4 mmt -114.53 125.06 53.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.118 . . . . 72.22 111.008 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 639' ' ' LEU . . . . . 0.686 HD23 ' SD ' ' A' ' 560' ' ' MET . 1.6 tp -91.65 124.78 36.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.427 1.079 . . . . 72.2 109.274 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 640' ' ' LEU . . . . . 0.976 HD11 HG22 ' A' ' 655' ' ' VAL . 51.2 mt -88.56 100.92 13.45 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.116 . . . . 71.43 109.319 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 641' ' ' GLU . . . . . 0.493 ' CD ' HD21 ' A' ' 555' ' ' LEU . 6.9 mt-10 -73.41 129.01 37.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 73.4 110.301 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 642' ' ' THR . . . . . 0.716 HG21 HD12 ' A' ' 647' ' ' ILE . 0.7 OUTLIER -141.74 160.7 55.21 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 73.12 110.389 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 2.7 6.34 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.52 1.8 . . . . 54.53 111.007 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -113.35 0.42 14.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 71.24 110.269 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 113.56 124.94 4.19 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.534 1.147 . . . . 72.34 110.999 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 646' ' ' ARG . . . . . 0.523 ' HB3' HD11 ' A' ' 639' ' ' LEU . 1.3 mtt85 -38.68 148.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 0.74 . . . . 71.14 110.274 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 647' ' ' ILE . . . . . 0.716 HD12 HG21 ' A' ' 642' ' ' THR . 14.2 mt -130.19 129.76 65.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 64.03 109.308 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 648' ' ' GLN . . . . . 0.403 ' OE1' ' N ' ' A' ' 649' ' ' ALA . 0.9 OUTLIER -124.65 110.21 14.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 71.11 110.299 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 649' ' ' ALA . . . . . 0.403 ' N ' ' OE1' ' A' ' 648' ' ' GLN . . . -122.91 168.79 11.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 73.21 109.284 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 650' ' ' LYS . . . . . 0.497 ' C ' ' CG1' ' A' ' 635' ' ' VAL . 1.7 mtmt -104.96 -18.27 14.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 73.43 109.289 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -114.87 135.5 54.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 73.0 109.308 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 652' ' ' TRP . . . . . 0.706 ' CE3' ' CD2' ' A' ' 577' ' ' HIS . 75.9 m95 -66.93 -12.17 58.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 65.01 107.998 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 46.5 t -65.3 -11.15 38.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 65.31 110.021 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 654' ' ' ARG . . . . . 0.41 ' O ' ' C ' ' A' ' 655' ' ' VAL . 7.3 mmm180 -99.58 -29.55 12.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 73.4 110.276 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 655' ' ' VAL . . . . . 0.976 HG22 HD11 ' A' ' 640' ' ' LEU . 2.4 t -39.85 119.84 1.41 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 70.23 109.282 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 656' ' ' PRO . . . . . 0.62 ' HD2' HD13 ' A' ' 640' ' ' LEU . 18.3 Cg_endo -75.01 -42.78 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.516 1.798 . . . . 65.35 110.971 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 657' ' ' PHE . . . . . 0.858 ' CZ ' HD21 ' A' ' 569' ' ' LEU . 9.5 p90 -69.26 151.41 46.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 61.21 110.984 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -101.39 149.6 23.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 64.41 110.004 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 659' ' ' VAL . . . . . 0.699 HG23 ' HA ' ' A' ' 570' ' ' ARG . 0.1 OUTLIER -143.52 112.8 5.51 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 74.52 109.318 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 660' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 148.06 34.92 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.436 1.756 . . . . 73.12 111.026 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -42.23 151.52 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 55.35 109.291 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 662' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -70.96 117.7 12.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 73.23 111.004 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 663' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -91.26 117.68 29.85 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.142 . . . . 73.43 109.258 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 664' ' ' PHE . . . . . 0.438 ' O ' ' CB ' ' A' ' 668' ' ' CYS . 67.4 t80 -82.22 -21.22 36.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 63.31 111.029 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 8.7 mt -71.06 -34.94 71.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 53.02 109.298 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -87.95 -50.23 6.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 63.43 110.3 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 667' ' ' HIS . . . . . 0.692 ' CE1' HG11 ' A' ' 580' ' ' VAL . 7.5 t-80 -55.32 -49.02 73.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 63.52 109.594 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 668' ' ' CYS . . . . . 0.438 ' CB ' ' O ' ' A' ' 664' ' ' PHE . 36.2 t -62.24 -34.61 76.84 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.509 1.131 . . . . 75.1 108.265 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 669' ' ' ALA . . . . . 0.521 ' O ' HD11 ' A' ' 675' ' ' LEU . . . -73.53 -11.56 60.49 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 64.41 109.293 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 670' ' ' GLU . . . . . 0.494 ' HA ' HD21 ' A' ' 675' ' ' LEU . 7.6 mt-10 -115.7 -2.11 12.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 60.13 110.343 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 671' ' ' ASN . . . . . 0.402 ' N ' ' O ' ' A' ' 667' ' ' HIS . 3.0 m120 -105.07 -15.63 15.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 74.15 109.335 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 14.6 mt -89.99 -175.03 4.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 73.32 109.31 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 4.0 m -101.73 12.16 37.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 64.22 109.992 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -63.98 -16.65 62.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 73.44 109.281 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 675' ' ' LEU . . . . . 0.521 HD11 ' O ' ' A' ' 669' ' ' ALA . 1.1 mm? -75.0 -53.31 9.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 73.1 109.277 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 676' ' ' SER . . . . . . . . . . . . . 3.6 m -173.71 145.12 1.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 71.23 109.99 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 11.0 mt -89.3 -58.21 2.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 75.31 109.298 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 5.5 t70 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 65.22 109.313 180.0 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 679' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 111.019 -0.832 . . . . 74.3 111.019 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 154.64 42.28 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.536 1.809 . . . . 64.21 110.963 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 21.3 t60 -55.25 -178.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 74.45 109.625 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 545' ' ' MET . . . . . . . . . . . . . 19.3 mtp -98.16 70.37 2.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 72.42 111.016 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 546' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -112.55 138.09 49.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 75.34 110.329 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 547' ' ' PHE . . . . . 0.524 ' CG ' ' HB2' ' A' ' 656' ' ' PRO . 7.0 m-85 -148.81 102.98 3.41 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 74.21 111.011 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 548' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 143.44 29.29 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.489 1.784 . . . . 44.32 111.027 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 549' ' ' VAL . . . . . 0.4 HG12 ' HB2' ' A' ' 657' ' ' PHE . 28.4 m -50.33 -45.31 24.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 50.41 109.277 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -53.18 -30.32 36.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 74.24 110.274 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 9.2 m170 -87.59 -29.1 21.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 71.32 109.59 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 552' ' ' VAL . . . . . 0.765 HG21 ' HB3' ' A' ' 657' ' ' PHE . 54.0 t -86.78 119.76 35.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 71.34 109.266 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -108.37 144.6 35.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 73.24 110.292 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 554' ' ' LEU . . . . . 1.028 HD11 HD23 ' A' ' 569' ' ' LEU . 0.9 OUTLIER -87.36 114.7 24.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 72.13 109.289 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 555' ' ' LEU . . . . . 0.833 HD11 ' HB2' ' A' ' 641' ' ' GLU . 0.2 OUTLIER -133.69 177.93 7.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 71.31 109.305 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 556' ' ' CYS . . . . . 0.511 ' O ' ' N ' ' A' ' 560' ' ' MET . 5.1 t -107.88 100.87 10.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 114.976 -1.011 . . . . 74.11 110.937 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 557' ' ' ILE . . . . . 0.882 HD13 ' O ' ' A' ' 636' ' ' ARG . 1.2 pt -34.75 -34.2 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 74.2 109.25 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 558' ' ' ASN . . . . . 0.501 ' N ' ' O ' ' A' ' 556' ' ' CYS . 2.5 m120 -75.07 -61.44 1.89 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 35.3 109.318 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 559' ' ' CYS . . . . . 0.513 ' O ' ' HB2' ' A' ' 560' ' ' MET . 2.8 m -78.36 -69.82 0.53 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 64.51 108.264 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 560' ' ' MET . . . . . 0.513 ' HB2' ' O ' ' A' ' 559' ' ' CYS . 28.1 mtm 79.59 45.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 73.33 111.042 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 561' ' ' VAL . . . . . 0.47 ' O ' HG23 ' A' ' 561' ' ' VAL . 1.0 OUTLIER -115.45 15.02 7.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 74.13 109.232 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 562' ' ' ALA . . . . . 0.577 ' CA ' HD23 ' A' ' 555' ' ' LEU . . . 65.67 111.17 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 71.31 109.311 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 563' ' ' VAL . . . . . 0.813 HG12 ' CD1' ' A' ' 587' ' ' TYR . 2.4 m -110.5 -5.59 11.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.162 . . . . 75.42 109.367 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -179.51 -160.22 24.82 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.472 1.108 . . . . 41.11 110.981 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 565' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -129.61 156.67 43.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 0.735 . . . . 70.43 109.625 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . -78.65 -5.72 88.27 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.498 1.124 . . . . 71.34 111.045 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 3.1 t -108.42 10.9 27.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 0.752 . . . . 73.53 110.033 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 53.9 m-20 -110.72 -33.92 6.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 72.44 109.28 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 569' ' ' LEU . . . . . 1.028 HD23 HD11 ' A' ' 554' ' ' LEU . 0.1 OUTLIER -79.21 158.85 27.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 72.34 109.295 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 570' ' ' ARG . . . . . 0.8 HH22 HD13 ' A' ' 630' ' ' LEU . 8.5 mtm105 -132.39 -172.11 2.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 74.55 110.32 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 571' ' ' LYS . . . . . 0.491 ' CG ' ' HA2' ' A' ' 574' ' ' GLY . 4.9 ttmt -132.61 107.92 8.74 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 74.3 109.333 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 572' ' ' VAL . . . . . 0.457 ' O ' ' C ' ' A' ' 573' ' ' GLU . 2.4 t -79.69 110.97 15.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 71.41 109.287 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 573' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 572' ' ' VAL . 6.6 pt-20 34.64 43.91 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 71.11 110.308 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 574' ' ' GLY . . . . . 0.491 ' HA2' ' CG ' ' A' ' 571' ' ' LYS . . . 34.82 51.14 0.8 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.532 1.145 . . . . 74.44 110.992 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 2.9 m -117.57 -40.16 3.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 0.729 . . . . 64.3 110.418 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 576' ' ' HIS . . . . . 0.507 ' O ' HG13 ' A' ' 578' ' ' VAL . 2.9 m80 -161.79 112.6 1.65 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 74.33 109.612 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 577' ' ' HIS . . . . . 0.744 ' CD2' ' CD2' ' A' ' 652' ' ' TRP . 50.7 m-70 -66.11 118.69 10.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 71.11 109.641 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 578' ' ' VAL . . . . . 1.068 ' CG1' HG22 ' A' ' 632' ' ' VAL . 10.6 m -120.25 112.72 37.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 63.41 109.293 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 579' ' ' ASN . . . . . 0.75 ' ND2' ' CE1' ' A' ' 584' ' ' PHE . 12.4 t30 -77.93 116.88 18.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 75.53 109.262 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 580' ' ' VAL . . . . . 0.927 HG22 HD22 ' A' ' 630' ' ' LEU . 26.2 t -91.86 125.28 44.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 75.13 109.334 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 581' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -173.89 136.27 0.65 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 71.52 109.32 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 582' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -35.93 2.87 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.476 1.777 . . . . 74.22 111.036 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 583' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -74.38 -6.03 45.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 65.23 109.264 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 584' ' ' PHE . . . . . 0.75 ' CE1' ' ND2' ' A' ' 579' ' ' ASN . 3.8 t80 -72.41 -33.9 67.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 64.24 111.026 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 585' ' ' SER . . . . . 0.516 ' HA ' ' CE2' ' A' ' 588' ' ' TYR . 4.6 t -57.3 -26.27 60.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 74.23 110.02 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -87.41 -17.51 32.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 73.24 109.313 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 587' ' ' TYR . . . . . 0.813 ' CD1' HG12 ' A' ' 563' ' ' VAL . 2.3 m-85 -91.08 4.7 51.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 72.52 110.971 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 588' ' ' TYR . . . . . 0.694 ' CD1' HG23 ' A' ' 610' ' ' ILE . 1.0 OUTLIER -164.13 158.89 19.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 52.43 110.997 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 589' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -134.47 128.47 33.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 55.21 109.315 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 590' ' ' VAL . . . . . 0.584 HG13 ' HA3' ' A' ' 608' ' ' GLY . 17.2 t -72.67 133.18 32.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.127 . . . . 74.1 109.284 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 34.9 t -54.19 165.33 0.52 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 70.22 109.986 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 39.4 mtm180 -58.21 -61.15 2.77 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 74.31 110.288 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -47.75 158.41 0.52 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 40.33 109.317 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -89.68 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.486 1.782 . . . . 71.22 110.981 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 595' ' ' VAL . . . . . 0.495 HG22 ' O ' ' A' ' 607' ' ' GLY . 3.9 t -108.75 131.86 58.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 71.04 109.288 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 596' ' ' VAL . . . . . . . . . . . . . 2.1 t -136.23 82.28 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 74.02 109.333 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 597' ' ' ILE . . . . . 0.675 HD11 ' HG ' ' A' ' 621' ' ' LEU . 2.8 mm -134.91 166.68 27.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 63.52 109.306 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 598' ' ' ASN . . . . . 0.519 ' N ' HG22 ' A' ' 597' ' ' ILE . 8.6 m120 -88.92 -61.33 1.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 73.33 109.29 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 599' ' ' LYS . . . . . 0.562 ' HD3' ' CZ ' ' A' ' 601' ' ' PHE . 0.0 OUTLIER -93.83 176.98 6.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 73.42 109.311 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 600' ' ' VAL . . . . . 0.412 ' N ' ' HG2' ' A' ' 599' ' ' LYS . 75.9 t -132.48 152.11 35.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 72.23 109.328 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 601' ' ' PHE . . . . . 0.562 ' CZ ' ' HD3' ' A' ' 599' ' ' LYS . 62.5 m-85 -118.32 163.88 16.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 74.1 111.0 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 602' ' ' LYS . . . . . 0.408 ' C ' ' N ' ' A' ' 604' ' ' TRP . 0.0 OUTLIER -109.31 -53.1 2.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.473 1.108 . . . . 72.41 109.312 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -43.2 -28.06 0.28 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 71.44 109.274 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 604' ' ' TRP . . . . . 0.565 ' CH2' ' HG3' ' A' ' 623' ' ' MET . 0.5 OUTLIER -157.09 165.86 34.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 74.43 107.982 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 605' ' ' LYS . . . . . . . . . . . . . 9.9 ptmt -112.34 157.58 39.62 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.578 1.174 . . . . 62.4 109.275 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 606' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 171.51 18.18 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.48 1.779 . . . . 63.44 110.972 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 607' ' ' GLY . . . . . 0.599 ' H ' HD23 ' A' ' 621' ' ' LEU . . . -135.59 -108.71 0.96 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.482 1.114 . . . . 71.53 111.007 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 608' ' ' GLY . . . . . 0.584 ' HA3' HG13 ' A' ' 590' ' ' VAL . . . -135.36 148.14 19.47 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 110.994 -0.842 . . . . 43.44 110.994 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 13.5 t -57.04 126.46 14.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 0.755 . . . . 70.02 109.26 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 610' ' ' ILE . . . . . 0.694 HG23 ' CD1' ' A' ' 588' ' ' TYR . 0.6 OUTLIER -95.06 145.33 8.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 53.41 109.318 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.87 121.76 9.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.589 1.181 . . . . 70.24 109.973 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 612' ' ' CYS . . . . . 0.514 ' HB2' ' CE2' ' A' ' 619' ' ' TRP . 33.8 t -48.78 119.99 3.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 74.21 108.3 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 7.4 ttt180 -71.01 -25.35 62.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 71.51 110.278 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 614' ' ' ASN . . . . . 0.422 ' OD1' HG22 ' A' ' 561' ' ' VAL . 9.8 m120 -67.38 -36.03 80.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 74.12 109.328 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 615' ' ' CYS . . . . . 0.442 ' SG ' ' N ' ' A' ' 559' ' ' CYS . 0.2 OUTLIER -126.43 -74.63 0.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 63.33 108.341 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 616' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 148.07 -17.27 1.37 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.529 1.143 . . . . 73.54 110.983 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 617' ' ' GLU . . . . . 0.423 ' OE1' ' ND2' ' A' ' 558' ' ' ASN . 19.2 tp10 -42.49 102.87 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.52 0.777 . . . . 72.14 110.302 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 618' ' ' VAL . . . . . 0.451 ' O ' ' NZ ' ' A' ' 634' ' ' LYS . 25.6 t -49.17 118.08 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 72.44 109.263 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 619' ' ' TRP . . . . . 0.734 ' CE2' ' HE3' ' A' ' 638' ' ' MET . 36.7 m0 -81.44 -39.2 25.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 73.32 108.013 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 620' ' ' GLY . . . . . . . . . . . . . . . 160.44 -113.98 0.59 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.526 1.141 . . . . 51.31 111.029 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 621' ' ' LEU . . . . . 0.763 HD22 ' C ' ' A' ' 621' ' ' LEU . 0.0 OUTLIER -148.45 160.85 42.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 0.782 . . . . 74.0 109.301 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 622' ' ' GLN . . . . . 0.647 ' N ' HD22 ' A' ' 621' ' ' LEU . 0.8 OUTLIER -89.37 131.92 35.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 75.15 110.293 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 623' ' ' MET . . . . . 0.642 ' C ' HD12 ' A' ' 624' ' ' ILE . 9.9 mmt -106.23 142.34 36.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 51.3 110.974 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 624' ' ' ILE . . . . . 0.779 HD12 ' N ' ' A' ' 624' ' ' ILE . 2.7 mp -118.94 111.98 35.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 75.55 109.311 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 625' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -119.78 112.4 19.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 74.11 110.978 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 626' ' ' LYS . . . . . 0.509 ' O ' ' CB ' ' A' ' 627' ' ' SER . 6.4 mmpt? 65.32 17.31 10.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 62.55 109.32 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 627' ' ' SER . . . . . 0.509 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.1 p 87.3 40.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 63.3 109.984 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 628' ' ' VAL . . . . . 0.755 HG12 ' HG ' ' A' ' 630' ' ' LEU . 79.1 t -122.18 119.51 58.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 70.21 109.309 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 629' ' ' LYS . . . . . 0.458 ' CE ' ' OE1' ' A' ' 622' ' ' GLN . 6.8 mmmm -74.8 100.27 3.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 64.54 109.291 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 630' ' ' LEU . . . . . 0.927 HD22 HG22 ' A' ' 580' ' ' VAL . 27.1 mt -124.1 111.95 28.55 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 62.12 109.322 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 631' ' ' PRO . . . . . 0.576 ' HB2' HD11 ' A' ' 633' ' ' LEU . 18.4 Cg_endo -74.94 138.91 23.82 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.508 1.794 . . . . 72.15 111.009 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 632' ' ' VAL . . . . . 1.068 HG22 ' CG1' ' A' ' 578' ' ' VAL . 23.0 t -106.46 113.75 43.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 72.42 109.299 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 633' ' ' LEU . . . . . 1.0 HD13 ' C ' ' A' ' 632' ' ' VAL . 0.0 OUTLIER -113.96 171.64 7.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 73.21 109.267 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 634' ' ' LYS . . . . . 0.451 ' NZ ' ' O ' ' A' ' 618' ' ' VAL . 11.0 mtmm -102.53 -174.13 2.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 61.22 109.292 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 635' ' ' VAL . . . . . 0.983 HG11 ' C ' ' A' ' 651' ' ' LYS . 14.9 p -107.0 -20.34 6.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 75.01 109.252 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 636' ' ' ARG . . . . . 0.882 ' O ' HD13 ' A' ' 557' ' ' ILE . 6.9 ptp180 -82.31 -23.09 35.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 73.1 110.275 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 637' ' ' SER . . . . . 0.412 ' OG ' ' NZ ' ' A' ' 634' ' ' LYS . 3.6 m -96.05 -9.01 31.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 71.12 109.985 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 638' ' ' MET . . . . . 0.734 ' HE3' ' CE2' ' A' ' 619' ' ' TRP . 32.6 mmt -109.43 137.46 47.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 63.54 110.97 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 639' ' ' LEU . . . . . 0.887 HD21 ' HD2' ' A' ' 646' ' ' ARG . 11.6 tp -101.27 141.26 34.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 74.15 109.328 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 640' ' ' LEU . . . . . 0.411 HD13 ' C ' ' A' ' 639' ' ' LEU . 0.6 OUTLIER -109.95 90.99 3.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 72.21 109.263 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 641' ' ' GLU . . . . . 0.833 ' HB2' HD11 ' A' ' 555' ' ' LEU . 7.6 mt-10 -74.92 123.74 25.64 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.475 1.11 . . . . 53.12 110.301 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 642' ' ' THR . . . . . 0.545 HG21 HD12 ' A' ' 647' ' ' ILE . 0.2 OUTLIER -131.82 160.13 68.96 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 73.4 110.419 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 2.82 6.19 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.478 1.778 . . . . 73.12 110.983 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -113.9 -4.93 13.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 62.43 110.314 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 127.6 142.95 5.62 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.483 1.114 . . . . 25.02 110.962 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 646' ' ' ARG . . . . . 0.887 ' HD2' HD21 ' A' ' 639' ' ' LEU . 57.3 mtm-85 -57.77 149.74 21.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 0.729 . . . . 74.31 110.333 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 647' ' ' ILE . . . . . 0.545 HD12 HG21 ' A' ' 642' ' ' THR . 48.9 mt -136.83 127.1 39.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 72.41 109.295 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 648' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -128.28 112.31 14.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 75.1 110.329 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 649' ' ' ALA . . . . . 0.444 ' CB ' ' HB2' ' A' ' 654' ' ' ARG . . . -112.85 154.22 26.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 73.42 109.304 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 7.9 mttm -90.04 -8.03 52.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 63.24 109.321 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 651' ' ' LYS . . . . . 0.983 ' C ' HG11 ' A' ' 635' ' ' VAL . 0.0 OUTLIER -138.74 153.69 48.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 74.14 109.32 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 652' ' ' TRP . . . . . 0.792 ' HA ' HG23 ' A' ' 655' ' ' VAL . 59.7 m95 -75.77 -9.86 58.95 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.96 -1.126 . . . . 74.51 107.96 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 7.8 t -65.27 -11.06 37.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 74.01 109.996 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 654' ' ' ARG . . . . . 0.444 ' HB2' ' CB ' ' A' ' 649' ' ' ALA . 7.3 mmt85 -105.64 -12.4 15.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 72.53 110.317 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 655' ' ' VAL . . . . . 0.792 HG23 ' HA ' ' A' ' 652' ' ' TRP . 6.2 t -40.33 111.13 0.73 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 73.13 109.272 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 656' ' ' PRO . . . . . 0.524 ' HB2' ' CG ' ' A' ' 547' ' ' PHE . 18.3 Cg_endo -75.03 -29.75 7.85 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.489 1.784 . . . . 70.11 110.955 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 657' ' ' PHE . . . . . 0.765 ' HB3' HG21 ' A' ' 552' ' ' VAL . 54.4 p90 -84.47 164.84 18.58 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.496 1.123 . . . . 65.14 110.963 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.69 150.17 23.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 64.11 109.987 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 659' ' ' VAL . . . . . 0.663 HG22 ' CE2' ' A' ' 657' ' ' PHE . 1.8 t -141.73 100.89 6.02 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 75.45 109.341 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 660' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 166.79 28.4 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.528 1.804 . . . . 61.4 110.975 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 661' ' ' ASP . . . . . 0.405 ' HA ' ' O ' ' A' ' 571' ' ' LYS . 3.0 p-10 -89.89 151.42 21.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 62.33 109.3 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 662' ' ' PHE . . . . . 0.697 ' CD1' ' CZ ' ' A' ' 570' ' ' ARG . 1.9 t80 -49.97 159.99 0.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 75.51 110.995 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 663' ' ' ASP . . . . . 0.457 ' O ' ' N ' ' A' ' 666' ' ' GLN . 58.9 t0 -132.85 71.73 1.48 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 71.33 109.33 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 664' ' ' PHE . . . . . 0.504 ' O ' ' CB ' ' A' ' 668' ' ' CYS . 9.0 t80 -42.75 -37.51 1.79 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 64.53 111.022 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 665' ' ' LEU . . . . . 0.525 ' O ' ' HB2' ' A' ' 669' ' ' ALA . 9.2 mt -58.66 -43.11 89.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 70.41 109.304 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 666' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 663' ' ' ASP . 2.7 tp-100 -81.14 -62.15 1.75 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 74.24 110.277 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 667' ' ' HIS . . . . . 0.483 ' CG ' ' CZ ' ' A' ' 662' ' ' PHE . 3.7 t60 -44.36 -53.44 6.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 71.31 109.629 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 668' ' ' CYS . . . . . 0.504 ' CB ' ' O ' ' A' ' 664' ' ' PHE . 11.4 t -60.87 -34.72 75.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.11 . . . . 70.52 108.304 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 669' ' ' ALA . . . . . 0.577 ' O ' HD21 ' A' ' 675' ' ' LEU . . . -73.66 -11.44 60.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 74.12 109.295 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 670' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -115.53 -3.08 12.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 75.23 110.271 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 671' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 667' ' ' HIS . 2.9 m120 -104.08 -17.12 15.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 60.2 109.316 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 15.3 mt -90.76 -176.46 4.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 44.14 109.276 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 19.6 m -106.91 8.59 30.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 74.01 110.007 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -56.23 -20.88 20.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.165 . . . . 74.41 109.283 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 675' ' ' LEU . . . . . 0.6 ' H ' HD22 ' A' ' 675' ' ' LEU . 0.5 OUTLIER -72.62 -59.8 2.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 74.02 109.332 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 676' ' ' SER . . . . . 0.532 ' C ' HD13 ' A' ' 677' ' ' LEU . 6.0 p -168.49 172.5 8.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 72.11 109.969 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 677' ' ' LEU . . . . . 0.58 HD22 ' N ' ' A' ' 677' ' ' LEU . 0.1 OUTLIER -113.47 -50.35 2.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 64.13 109.34 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 8.5 t70 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 64.04 109.342 179.999 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 679' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 110.962 -0.855 . . . . 75.34 110.962 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -6.15 17.69 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.495 1.787 . . . . 70.21 110.986 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 68.4 m80 -91.73 -23.05 19.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 70.21 109.598 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 545' ' ' MET . . . . . 0.465 ' C ' ' CE1' ' A' ' 547' ' ' PHE . 35.4 mtp 55.08 49.6 17.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 62.4 111.021 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 546' ' ' GLN . . . . . 0.535 ' C ' ' CD1' ' A' ' 547' ' ' PHE . 23.2 mt-30 -116.1 138.2 51.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 44.35 110.314 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 547' ' ' PHE . . . . . 0.535 ' CD1' ' C ' ' A' ' 546' ' ' GLN . 0.5 OUTLIER -153.79 102.78 2.5 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 63.11 111.002 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 548' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 144.8 30.54 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.553 1.818 . . . . 62.43 110.979 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 549' ' ' VAL . . . . . 0.483 HG23 ' CB ' ' A' ' 567' ' ' SER . 28.9 m -51.17 -44.08 28.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 72.12 109.288 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -53.43 -29.56 35.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 72.03 110.316 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 8.6 m170 -89.13 -22.93 22.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 71.32 109.598 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 552' ' ' VAL . . . . . 0.803 HG21 ' HB3' ' A' ' 657' ' ' PHE . 42.8 t -91.86 126.5 44.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 62.32 109.253 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -112.28 148.67 33.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 73.31 110.303 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 554' ' ' LEU . . . . . 1.044 HD11 HD23 ' A' ' 569' ' ' LEU . 1.3 mt -90.91 111.19 22.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 74.1 109.309 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 555' ' ' LEU . . . . . 0.817 HD11 ' HB2' ' A' ' 641' ' ' GLU . 0.2 OUTLIER -133.28 177.21 7.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 74.12 109.291 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 556' ' ' CYS . . . . . 0.538 ' O ' ' N ' ' A' ' 560' ' ' MET . 5.4 t -102.35 101.42 11.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.009 -0.996 . . . . 70.44 110.915 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 557' ' ' ILE . . . . . 0.805 HD13 ' O ' ' A' ' 636' ' ' ARG . 1.4 pt -33.08 -36.5 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.113 . . . . 71.33 109.276 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 558' ' ' ASN . . . . . 0.516 ' N ' ' O ' ' A' ' 556' ' ' CYS . 2.7 m120 -73.95 -61.5 1.83 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 71.11 109.276 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 559' ' ' CYS . . . . . 0.498 ' O ' ' HB2' ' A' ' 560' ' ' MET . 3.9 m -77.75 -69.89 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 52.22 108.32 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 560' ' ' MET . . . . . 0.538 ' N ' ' O ' ' A' ' 556' ' ' CYS . 24.8 mtm 78.55 47.07 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 74.2 111.014 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 561' ' ' VAL . . . . . 0.686 ' O ' ' HB3' ' A' ' 562' ' ' ALA . 1.1 m -108.07 -5.27 10.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 62.2 109.303 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 562' ' ' ALA . . . . . 0.686 ' HB3' ' O ' ' A' ' 561' ' ' VAL . . . 85.27 100.52 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 61.33 109.278 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 563' ' ' VAL . . . . . 0.84 HG12 ' CD1' ' A' ' 587' ' ' TYR . 2.2 m -98.19 -7.11 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 64.13 109.309 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -179.87 -161.05 26.42 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 72.4 111.011 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 565' ' ' HIS . . . . . . . . . . . . . 48.3 m80 -123.77 147.08 47.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 0.79 . . . . 74.31 109.552 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . -74.13 -2.8 63.18 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.543 1.152 . . . . 64.21 111.01 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 567' ' ' SER . . . . . 0.483 ' CB ' HG23 ' A' ' 549' ' ' VAL . 12.7 p -114.95 11.93 16.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 0.775 . . . . 74.1 109.968 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -112.06 -16.44 13.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 70.24 109.305 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 569' ' ' LEU . . . . . 1.044 HD23 HD11 ' A' ' 554' ' ' LEU . 0.1 OUTLIER -91.14 164.65 13.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 61.34 109.305 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 570' ' ' ARG . . . . . 0.697 HH22 HD13 ' A' ' 630' ' ' LEU . 0.2 OUTLIER -146.75 -176.77 5.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 70.4 110.27 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 571' ' ' LYS . . . . . 0.543 ' HE2' ' CE1' ' A' ' 577' ' ' HIS . 23.2 ttmt -111.74 159.26 18.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 73.21 109.307 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 572' ' ' VAL . . . . . 0.564 ' CG2' ' NH1' ' A' ' 570' ' ' ARG . 2.2 t -124.18 105.37 15.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 61.45 109.288 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 573' ' ' GLU . . . . . 0.438 ' HG2' HG12 ' A' ' 572' ' ' VAL . 9.2 pt-20 43.57 36.34 1.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 74.45 110.295 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 574' ' ' GLY . . . . . 0.436 ' HA2' ' CD ' ' A' ' 571' ' ' LYS . . . 43.83 46.94 7.68 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.427 1.079 . . . . 74.4 110.982 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 2.0 m -114.54 -50.33 2.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 0.768 . . . . 75.3 110.444 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 5.1 m80 -157.52 117.18 3.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.138 . . . . 73.33 109.649 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 577' ' ' HIS . . . . . 0.589 ' O ' HG13 ' A' ' 578' ' ' VAL . 35.9 m-70 -49.64 157.7 0.52 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 71.31 109.601 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 578' ' ' VAL . . . . . 0.819 ' CG1' HG22 ' A' ' 632' ' ' VAL . 0.2 OUTLIER -158.34 129.18 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 64.11 109.262 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 579' ' ' ASN . . . . . 0.719 ' ND2' ' CE1' ' A' ' 584' ' ' PHE . 13.9 t30 -98.78 113.16 25.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 70.31 109.29 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 580' ' ' VAL . . . . . 0.567 HG13 HD23 ' A' ' 630' ' ' LEU . 2.7 t -87.22 131.92 33.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 72.14 109.248 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 581' ' ' ASN . . . . . 0.425 ' CB ' ' HB2' ' A' ' 584' ' ' PHE . 4.4 m120 -179.78 131.58 0.26 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 54.21 109.314 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 582' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -33.93 4.28 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.482 1.78 . . . . 54.21 111.039 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 583' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -78.46 -1.63 34.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 75.33 109.258 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 584' ' ' PHE . . . . . 0.719 ' CE1' ' ND2' ' A' ' 579' ' ' ASN . 3.3 t80 -73.78 -30.96 63.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 52.12 111.007 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 585' ' ' SER . . . . . 0.53 ' HA ' ' CE2' ' A' ' 588' ' ' TYR . 7.3 t -62.41 -21.99 65.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 70.1 109.939 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -87.11 -12.63 46.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 74.51 109.266 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 587' ' ' TYR . . . . . 0.84 ' CD1' HG12 ' A' ' 563' ' ' VAL . 6.1 m-85 -97.53 4.12 50.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 75.41 110.962 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 588' ' ' TYR . . . . . 0.773 ' CD1' HG23 ' A' ' 610' ' ' ILE . 1.9 p90 -163.61 156.78 18.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 72.04 111.037 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 589' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -126.47 126.91 44.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.081 . . . . 64.33 109.305 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 590' ' ' VAL . . . . . 0.681 HG13 ' HA3' ' A' ' 608' ' ' GLY . 10.5 t -72.66 136.44 25.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 72.13 109.295 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 7.2 t -62.97 174.38 1.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 74.43 110.016 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 64.4 ttt-85 -79.58 -41.7 26.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 71.3 110.289 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -41.61 145.89 0.62 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 74.32 109.324 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -89.41 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.513 1.796 . . . . 54.12 111.003 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 595' ' ' VAL . . . . . 0.575 HG13 ' CB ' ' A' ' 606' ' ' PRO . 53.8 t -102.59 125.42 56.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 64.43 109.297 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 596' ' ' VAL . . . . . . . . . . . . . 2.3 t -135.08 78.28 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 75.42 109.297 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 597' ' ' ILE . . . . . 0.605 HD11 ' HE1' ' A' ' 623' ' ' MET . 2.9 mt -144.09 163.82 14.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 73.44 109.299 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 598' ' ' ASN . . . . . 0.499 ' N ' ' CG2' ' A' ' 597' ' ' ILE . 0.8 OUTLIER -67.34 -56.32 10.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 72.43 109.285 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 599' ' ' LYS . . . . . 0.562 ' HE3' ' CE2' ' A' ' 601' ' ' PHE . 0.0 OUTLIER -141.44 178.15 7.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.097 . . . . 75.44 109.293 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 600' ' ' VAL . . . . . . . . . . . . . 40.8 t -98.38 155.97 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 74.23 109.303 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 601' ' ' PHE . . . . . 0.562 ' CE2' ' HE3' ' A' ' 599' ' ' LYS . 83.3 m-85 -125.96 166.11 17.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 71.13 111.011 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 49.6 mttm -104.85 19.07 21.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 71.53 109.274 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -113.7 -36.14 4.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.575 1.172 . . . . 72.42 109.283 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 604' ' ' TRP . . . . . 0.436 ' CE3' ' CB ' ' A' ' 623' ' ' MET . 0.2 OUTLIER -157.0 172.87 17.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 62.43 108.01 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 605' ' ' LYS . . . . . . . . . . . . . 7.4 ptpt -119.69 163.25 28.52 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 74.13 109.322 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 606' ' ' PRO . . . . . 0.575 ' CB ' HG13 ' A' ' 595' ' ' VAL . 18.3 Cg_endo -75.0 143.91 29.62 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.479 1.778 . . . . 74.12 110.964 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 607' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 622' ' ' GLN . . . -117.48 -83.98 0.99 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.474 1.109 . . . . 72.33 111.023 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 608' ' ' GLY . . . . . 0.681 ' HA3' HG13 ' A' ' 590' ' ' VAL . . . -163.35 150.11 18.45 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.011 -0.836 . . . . 61.14 111.011 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 609' ' ' VAL . . . . . 0.407 HG23 ' H ' ' A' ' 609' ' ' VAL . 10.7 t -58.18 133.44 23.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 0.785 . . . . 63.02 109.297 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 610' ' ' ILE . . . . . 0.773 HG23 ' CD1' ' A' ' 588' ' ' TYR . 0.6 OUTLIER -103.18 149.64 7.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 74.42 109.26 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 611' ' ' SER . . . . . 0.401 ' O ' ' HA ' ' A' ' 588' ' ' TYR . 1.1 t -149.3 146.32 27.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 71.34 109.989 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 612' ' ' CYS . . . . . 0.458 ' O ' ' N ' ' A' ' 616' ' ' GLY . 20.1 t -66.41 119.43 11.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 54.45 108.279 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 10.7 ttt-85 -72.92 -24.29 60.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 74.42 110.317 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 614' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -70.08 -32.1 70.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 63.21 109.294 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 615' ' ' CYS . . . . . 0.403 ' N ' ' SG ' ' A' ' 559' ' ' CYS . 1.7 m -129.56 -74.04 0.56 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 74.11 108.328 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 616' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 152.42 -20.93 0.83 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.493 1.121 . . . . 43.12 111.039 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -42.77 112.04 0.32 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 0.76 . . . . 64.33 110.286 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 3.3 t -49.42 141.87 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 74.53 109.314 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 619' ' ' TRP . . . . . 0.767 ' CE2' ' HE3' ' A' ' 638' ' ' MET . 29.6 m0 -106.47 -31.01 8.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 75.41 108.028 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 620' ' ' GLY . . . . . . . . . . . . . . . 150.61 -118.93 0.96 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.484 1.115 . . . . 41.12 111.015 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 621' ' ' LEU . . . . . 0.912 HD21 ' SD ' ' A' ' 623' ' ' MET . 0.0 OUTLIER -146.27 162.34 38.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 0.738 . . . . 73.22 109.294 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 622' ' ' GLN . . . . . 0.731 ' N ' HD22 ' A' ' 621' ' ' LEU . 0.4 OUTLIER -96.0 134.47 38.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 71.42 110.307 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 623' ' ' MET . . . . . 0.912 ' SD ' HD21 ' A' ' 621' ' ' LEU . 4.6 mmt -115.86 150.3 37.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 73.2 111.024 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 624' ' ' ILE . . . . . 0.766 HD12 ' N ' ' A' ' 624' ' ' ILE . 2.4 mp -119.25 119.01 59.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 72.21 109.325 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 625' ' ' TYR . . . . . 0.527 ' C ' ' CD1' ' A' ' 625' ' ' TYR . 0.2 OUTLIER -123.63 111.47 16.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 74.24 110.998 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 626' ' ' LYS . . . . . 0.487 ' O ' ' CB ' ' A' ' 627' ' ' SER . 0.7 OUTLIER 61.8 21.18 12.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 75.14 109.294 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 627' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.2 p 85.37 41.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 74.34 109.974 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 628' ' ' VAL . . . . . 0.836 HG12 ' HG ' ' A' ' 630' ' ' LEU . 54.0 t -127.9 107.9 17.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 72.41 109.293 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 3.7 mmmm -66.45 99.28 0.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 73.42 109.283 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 630' ' ' LEU . . . . . 0.836 ' HG ' HG12 ' A' ' 628' ' ' VAL . 4.9 mt -118.59 112.76 36.9 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 75.14 109.324 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 631' ' ' PRO . . . . . 0.597 ' HB2' HD11 ' A' ' 633' ' ' LEU . 18.3 Cg_endo -74.98 146.99 33.41 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.463 1.77 . . . . 72.31 111.008 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 632' ' ' VAL . . . . . 0.985 ' C ' HD13 ' A' ' 633' ' ' LEU . 30.0 t -111.93 111.95 38.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 54.24 109.302 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 633' ' ' LEU . . . . . 0.985 HD13 ' C ' ' A' ' 632' ' ' VAL . 0.0 OUTLIER -112.34 171.59 7.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 65.11 109.299 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 634' ' ' LYS . . . . . 0.475 ' CE ' ' CG ' ' A' ' 636' ' ' ARG . 0.0 OUTLIER -114.34 179.29 3.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 72.01 109.302 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 635' ' ' VAL . . . . . 0.498 ' CG1' ' O ' ' A' ' 650' ' ' LYS . 10.7 p -93.6 -42.57 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 72.52 109.297 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 636' ' ' ARG . . . . . 0.805 ' O ' HD13 ' A' ' 557' ' ' ILE . 0.2 OUTLIER -58.83 -15.51 12.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 62.23 110.304 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 27.2 t -106.44 -15.28 14.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 73.04 109.975 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 638' ' ' MET . . . . . 0.767 ' HE3' ' CE2' ' A' ' 619' ' ' TRP . 32.7 mmt -109.75 132.75 53.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 71.25 111.023 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 639' ' ' LEU . . . . . 0.785 HD12 ' HA ' ' A' ' 557' ' ' ILE . 1.2 tt -98.68 150.45 21.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 72.33 109.266 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 640' ' ' LEU . . . . . 0.551 HD12 ' CG1' ' A' ' 552' ' ' VAL . 1.7 mm? -113.08 93.42 4.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 75.24 109.305 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 641' ' ' GLU . . . . . 0.817 ' HB2' HD11 ' A' ' 555' ' ' LEU . 7.9 mt-10 -73.98 119.58 18.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 64.25 110.301 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 642' ' ' THR . . . . . 0.526 HG21 HD12 ' A' ' 647' ' ' ILE . 0.1 OUTLIER -127.34 159.91 62.89 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 73.42 110.411 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 1.83 7.32 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.502 1.791 . . . . 75.44 110.996 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -108.91 -5.59 16.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 40.33 110.304 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 128.45 145.06 5.94 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.476 1.11 . . . . 45.54 111.0 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 47.4 mtm-85 -58.44 145.62 37.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 0.766 . . . . 71.41 110.306 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 647' ' ' ILE . . . . . 0.526 HD12 HG21 ' A' ' 642' ' ' THR . 53.1 mt -136.26 137.34 48.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 52.31 109.264 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 648' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -131.96 110.47 10.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 73.52 110.282 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 649' ' ' ALA . . . . . . . . . . . . . . . -106.33 165.57 11.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 71.11 109.304 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 650' ' ' LYS . . . . . 0.498 ' O ' ' CG1' ' A' ' 635' ' ' VAL . 0.0 OUTLIER -104.59 -38.32 6.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 64.13 109.299 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 651' ' ' LYS . . . . . 0.41 ' N ' ' HD3' ' A' ' 651' ' ' LYS . 0.0 OUTLIER -111.49 145.41 39.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 74.12 109.301 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 652' ' ' TRP . . . . . 0.497 ' CG ' ' CD2' ' A' ' 577' ' ' HIS . 67.2 m95 -69.03 -10.26 56.67 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.989 -1.115 . . . . 74.03 107.989 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 2.5 t -71.46 -18.19 62.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 64.33 110.005 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 654' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 655' ' ' VAL . 3.1 mmm180 -100.61 -21.38 15.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 62.13 110.29 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 655' ' ' VAL . . . . . 0.803 HG13 ' CD1' ' A' ' 657' ' ' PHE . 2.2 t -39.86 126.88 1.57 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 64.13 109.326 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 656' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -50.3 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.468 1.773 . . . . 75.55 111.005 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 657' ' ' PHE . . . . . 0.816 ' CE2' HG22 ' A' ' 659' ' ' VAL . 44.9 p90 -65.47 159.46 24.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 72.25 111.004 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 7.1 m -90.31 150.06 22.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 70.01 109.997 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 659' ' ' VAL . . . . . 0.891 HG13 HD13 ' A' ' 569' ' ' LEU . 2.1 t -134.23 95.3 16.77 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 72.3 109.316 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 660' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 148.43 35.09 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.484 1.781 . . . . 64.05 111.01 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 661' ' ' ASP . . . . . 0.422 ' HA ' ' O ' ' A' ' 571' ' ' LYS . 17.3 p-10 -63.8 160.01 18.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 71.12 109.286 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 662' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -40.53 161.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 75.44 110.992 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 663' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -131.47 79.02 1.86 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.127 . . . . 75.31 109.302 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 664' ' ' PHE . . . . . 0.465 ' CE1' ' OH ' ' A' ' 625' ' ' TYR . 4.2 t80 -54.26 -23.28 14.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.165 . . . . 71.13 111.03 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 54.5 mt -73.25 -53.35 11.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 61.44 109.332 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -68.03 -59.89 2.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 64.12 110.271 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 667' ' ' HIS . . . . . . . . . . . . . 37.5 t-80 -43.86 -45.39 7.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 73.43 109.583 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 668' ' ' CYS . . . . . . . . . . . . . 51.4 t -65.24 -45.83 83.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 52.34 108.275 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -65.47 -11.53 44.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 71.35 109.29 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 670' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -103.91 -21.99 13.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 75.55 110.316 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -87.22 -27.44 22.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 35.45 109.287 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 672' ' ' LEU . . . . . 0.514 ' O ' ' CB ' ' A' ' 673' ' ' SER . 3.6 mt -85.77 -68.92 0.7 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 52.12 109.311 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 673' ' ' SER . . . . . 0.514 ' CB ' ' O ' ' A' ' 672' ' ' LEU . 1.4 p 86.02 5.13 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 72.31 110.011 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -59.0 -16.08 16.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 65.01 109.318 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 675' ' ' LEU . . . . . 0.662 ' H ' HD22 ' A' ' 675' ' ' LEU . 0.3 OUTLIER -69.86 -67.89 0.45 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 64.31 109.32 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 676' ' ' SER . . . . . . . . . . . . . 3.0 m -173.63 141.83 0.89 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.456 1.097 . . . . 75.11 109.996 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 677' ' ' LEU . . . . . 0.635 ' N ' HD12 ' A' ' 677' ' ' LEU . 1.4 mp -88.56 -47.29 8.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 73.23 109.306 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 2.9 t70 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 75.45 109.294 179.959 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 679' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 110.975 -0.85 . . . . 73.4 110.975 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -178.47 4.2 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.508 1.794 . . . . 63.43 110.982 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 57.5 m170 -59.95 179.1 0.14 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 74.11 109.608 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 545' ' ' MET . . . . . . . . . . . . . 75.2 mtp -76.73 76.26 3.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 74.32 111.028 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 546' ' ' GLN . . . . . 0.548 ' C ' ' CD1' ' A' ' 547' ' ' PHE . 11.8 mt-30 -126.44 144.72 50.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 70.21 110.294 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 547' ' ' PHE . . . . . 0.624 ' CD1' ' N ' ' A' ' 547' ' ' PHE . 0.2 OUTLIER -148.27 100.55 3.6 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.127 . . . . 63.34 111.046 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 548' ' ' PRO . . . . . 0.425 ' HB2' ' CG ' ' A' ' 550' ' ' GLU . 18.3 Cg_endo -74.97 139.31 24.21 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.513 1.796 . . . . 63.1 111.041 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 549' ' ' VAL . . . . . 0.584 HG12 ' HB2' ' A' ' 657' ' ' PHE . 27.9 m -49.24 -41.41 14.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 50.42 109.26 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 550' ' ' GLU . . . . . 0.425 ' CG ' ' HB2' ' A' ' 548' ' ' PRO . 4.3 pt-20 -56.45 -33.85 66.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 72.22 110.29 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -85.35 -17.08 37.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 74.14 109.59 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 552' ' ' VAL . . . . . 0.677 HG11 ' CD2' ' A' ' 657' ' ' PHE . 42.4 t -95.18 122.16 46.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 60.22 109.284 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 553' ' ' GLN . . . . . 0.434 ' O ' HD12 ' A' ' 555' ' ' LEU . 12.5 tt0 -109.1 150.69 27.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 73.44 110.307 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 554' ' ' LEU . . . . . 1.042 HD11 HD23 ' A' ' 569' ' ' LEU . 1.0 OUTLIER -91.4 113.31 25.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 74.15 109.334 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 555' ' ' LEU . . . . . 0.64 HD11 ' HB2' ' A' ' 641' ' ' GLU . 0.4 OUTLIER -134.46 -178.51 5.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 71.44 109.302 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 556' ' ' CYS . . . . . 0.597 ' O ' ' N ' ' A' ' 560' ' ' MET . 4.3 t -108.06 108.07 19.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.995 -1.002 . . . . 74.1 110.915 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 557' ' ' ILE . . . . . 0.877 HD13 ' O ' ' A' ' 636' ' ' ARG . 1.1 pt -36.51 -32.36 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 74.35 109.283 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 558' ' ' ASN . . . . . 0.492 ' N ' ' O ' ' A' ' 556' ' ' CYS . 8.1 m-20 -83.85 -65.38 1.02 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.565 1.165 . . . . 53.32 109.284 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 559' ' ' CYS . . . . . 0.462 ' O ' ' HB2' ' A' ' 560' ' ' MET . 3.3 m -65.38 -64.48 0.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 51.35 108.344 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 560' ' ' MET . . . . . 0.597 ' N ' ' O ' ' A' ' 556' ' ' CYS . 10.1 mtm 67.44 42.97 2.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.106 . . . . 75.52 111.016 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 561' ' ' VAL . . . . . 0.684 ' O ' ' HB3' ' A' ' 562' ' ' ALA . 1.0 OUTLIER -111.22 -2.0 10.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 73.33 109.276 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 562' ' ' ALA . . . . . 0.684 ' HB3' ' O ' ' A' ' 561' ' ' VAL . . . 82.66 108.09 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 74.01 109.287 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 563' ' ' VAL . . . . . 0.674 HG12 ' CD1' ' A' ' 587' ' ' TYR . 1.1 m -106.16 -7.38 10.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 73.35 109.269 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -179.04 -159.66 23.61 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.52 1.137 . . . . 24.24 111.043 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 565' ' ' HIS . . . . . . . . . . . . . 28.1 m80 -126.14 147.72 49.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 0.771 . . . . 74.24 109.592 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 566' ' ' GLY . . . . . 0.512 ' O ' HD11 ' A' ' 569' ' ' LEU . . . -74.95 -17.03 80.25 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.501 1.126 . . . . 71.32 111.008 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 567' ' ' SER . . . . . 0.416 ' OG ' HG23 ' A' ' 549' ' ' VAL . 8.8 t -101.85 9.61 40.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 0.746 . . . . 73.31 110.0 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -111.69 -17.74 12.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 71.05 109.289 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 569' ' ' LEU . . . . . 1.042 HD23 HD11 ' A' ' 554' ' ' LEU . 0.2 OUTLIER -85.55 162.72 18.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 54.31 109.257 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 570' ' ' ARG . . . . . 0.447 ' CB ' ' O ' ' A' ' 660' ' ' PRO . 0.0 OUTLIER -155.93 149.13 24.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 74.5 110.314 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 571' ' ' LYS . . . . . 0.483 ' HE2' ' CE1' ' A' ' 577' ' ' HIS . 17.8 ttmt -74.0 158.66 33.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 64.24 109.272 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 572' ' ' VAL . . . . . 0.516 HG12 ' HG2' ' A' ' 573' ' ' GLU . 2.2 t -119.3 107.98 22.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 74.33 109.299 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 573' ' ' GLU . . . . . 0.516 ' HG2' HG12 ' A' ' 572' ' ' VAL . 11.4 pt-20 43.89 36.02 1.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 75.35 110.296 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 47.07 48.57 19.43 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.554 1.159 . . . . 52.23 111.032 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 2.0 m -116.21 -44.76 2.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 0.772 . . . . 65.04 110.376 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 576' ' ' HIS . . . . . 0.466 ' O ' HG13 ' A' ' 578' ' ' VAL . 6.0 m80 -164.14 140.7 6.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 70.23 109.591 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 577' ' ' HIS . . . . . 0.694 ' CG ' ' CE3' ' A' ' 652' ' ' TRP . 40.6 m-70 -66.4 129.69 40.68 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.491 1.119 . . . . 64.43 109.629 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 578' ' ' VAL . . . . . 0.502 ' CG2' HG23 ' A' ' 572' ' ' VAL . 4.4 m -134.76 125.14 45.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 71.35 109.351 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 579' ' ' ASN . . . . . 0.5 ' HB3' HD23 ' A' ' 633' ' ' LEU . 9.8 t30 -94.21 118.61 31.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 62.21 109.304 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 580' ' ' VAL . . . . . 0.841 HG22 HD22 ' A' ' 630' ' ' LEU . 3.7 t -91.3 138.23 20.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 71.01 109.311 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 581' ' ' ASN . . . . . 0.452 ' OD1' ' N ' ' A' ' 584' ' ' PHE . 23.5 t-20 173.14 130.89 0.1 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 63.4 109.303 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 582' ' ' PRO . . . . . 0.424 ' HD2' ' ND2' ' A' ' 581' ' ' ASN . 18.2 Cg_endo -75.0 -25.93 11.4 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.532 1.806 . . . . 72.13 110.992 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 583' ' ' ASN . . . . . 0.529 ' N ' ' ND2' ' A' ' 583' ' ' ASN . 0.2 OUTLIER -80.14 -0.6 36.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 65.3 109.291 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 584' ' ' PHE . . . . . 0.491 ' O ' ' CD2' ' A' ' 588' ' ' TYR . 2.2 t80 -78.1 -28.74 48.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 62.32 111.004 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 11.3 p -60.08 -27.41 66.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.09 . . . . 64.1 109.946 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -87.22 -11.64 49.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 60.45 109.28 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 587' ' ' TYR . . . . . 0.674 ' CD1' HG12 ' A' ' 563' ' ' VAL . 2.8 m-85 -97.99 5.14 49.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 74.44 111.015 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 588' ' ' TYR . . . . . 0.866 ' CD1' HG23 ' A' ' 610' ' ' ILE . 1.0 OUTLIER -168.14 158.9 10.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 73.51 111.029 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 589' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -135.57 121.85 20.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.459 1.099 . . . . 74.33 109.31 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 590' ' ' VAL . . . . . 0.71 HG23 ' HE1' ' A' ' 588' ' ' TYR . 67.1 t -72.45 149.65 8.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 74.24 109.328 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 591' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 592' ' ' ARG . 4.2 t -50.44 136.89 19.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 75.25 109.993 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 592' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 591' ' ' SER . 0.0 OUTLIER -36.28 -58.46 0.68 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 62.24 110.338 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 593' ' ' ASP . . . . . 0.401 ' O ' ' O ' ' A' ' 591' ' ' SER . 1.5 m-20 -45.91 158.26 0.36 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 75.51 109.346 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -61.25 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.474 1.776 . . . . 53.43 111.014 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 595' ' ' VAL . . . . . 0.52 HG11 ' HG2' ' A' ' 606' ' ' PRO . 86.4 t -144.31 119.84 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 74.04 109.313 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 596' ' ' VAL . . . . . . . . . . . . . 2.1 t -135.95 84.14 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 65.52 109.309 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 597' ' ' ILE . . . . . 0.551 ' CD1' HD12 ' A' ' 621' ' ' LEU . 3.8 mm -121.09 154.4 24.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 65.2 109.325 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 598' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -68.03 -10.61 55.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 71.54 109.355 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 599' ' ' LYS . . . . . 0.426 ' HG2' ' N ' ' A' ' 600' ' ' VAL . 0.0 OUTLIER -173.88 -174.66 0.96 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.13 . . . . 55.44 109.3 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 600' ' ' VAL . . . . . 0.43 HG13 ' HD3' ' A' ' 606' ' ' PRO . 58.2 t -126.61 150.07 32.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.118 . . . . 74.11 109.318 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 601' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -103.37 168.22 9.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 72.23 111.007 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 602' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 603' ' ' ASP . 70.1 mmtt -102.17 -55.03 2.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 73.53 109.33 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 603' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 602' ' ' LYS . 1.1 m-20 -39.94 -40.76 1.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 74.01 109.339 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 604' ' ' TRP . . . . . 0.513 ' CE2' ' SD ' ' A' ' 623' ' ' MET . 0.4 OUTLIER -157.31 164.44 37.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 74.02 107.991 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 605' ' ' LYS . . . . . 0.403 ' O ' ' SD ' ' A' ' 623' ' ' MET . 6.5 ptpt -92.13 163.41 27.3 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 73.53 109.309 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 606' ' ' PRO . . . . . 0.52 ' HG2' HG11 ' A' ' 595' ' ' VAL . 18.3 Cg_endo -75.05 161.09 39.19 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.513 1.797 . . . . 53.22 111.015 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 607' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 622' ' ' GLN . . . -123.55 -59.62 0.19 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.539 1.149 . . . . 71.25 110.989 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 608' ' ' GLY . . . . . 0.42 ' O ' ' HA ' ' A' ' 621' ' ' LEU . . . 148.23 148.23 4.7 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.021 -0.832 . . . . 63.45 111.021 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 609' ' ' VAL . . . . . 0.498 HG12 HG13 ' A' ' 618' ' ' VAL . 11.8 t -56.27 131.23 19.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.535 0.785 . . . . 71.34 109.339 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 610' ' ' ILE . . . . . 0.866 HG23 ' CD1' ' A' ' 588' ' ' TYR . 0.8 OUTLIER -103.68 143.92 14.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 54.53 109.309 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 611' ' ' SER . . . . . 0.401 ' O ' ' HA ' ' A' ' 588' ' ' TYR . 0.7 OUTLIER -137.07 118.35 14.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 63.32 109.979 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 612' ' ' CYS . . . . . 0.483 ' HB2' ' CE2' ' A' ' 619' ' ' TRP . 42.2 t -49.01 118.45 2.63 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.502 1.126 . . . . 72.42 108.301 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -67.61 -28.83 68.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.577 1.173 . . . . 64.23 110.305 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 614' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -65.8 -39.36 90.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 71.14 109.286 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 615' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -123.47 -76.15 0.59 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 62.23 108.323 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 616' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 148.77 -18.28 1.25 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.493 1.121 . . . . 72.21 110.961 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -42.7 102.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 0.74 . . . . 53.51 110.258 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 618' ' ' VAL . . . . . 0.498 HG13 HG12 ' A' ' 609' ' ' VAL . 86.2 t -55.66 109.31 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.171 . . . . 73.32 109.335 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 619' ' ' TRP . . . . . 0.527 ' NE1' ' CE ' ' A' ' 638' ' ' MET . 30.3 m0 -66.9 -54.75 19.08 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.973 -1.121 . . . . 74.22 107.973 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 620' ' ' GLY . . . . . 0.407 ' O ' ' HA ' ' A' ' 609' ' ' VAL . . . -178.82 -96.83 0.1 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.515 1.134 . . . . 54.02 111.008 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 621' ' ' LEU . . . . . 0.819 ' C ' HD23 ' A' ' 621' ' ' LEU . 0.0 OUTLIER -162.74 170.72 17.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 0.761 . . . . 42.42 109.321 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 622' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 607' ' ' GLY . 0.6 OUTLIER -101.9 157.62 16.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 75.15 110.295 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 623' ' ' MET . . . . . 0.678 ' C ' HD12 ' A' ' 624' ' ' ILE . 9.8 mmt -140.83 149.87 42.56 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.51 1.132 . . . . 64.12 110.993 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 624' ' ' ILE . . . . . 0.776 HD12 ' N ' ' A' ' 624' ' ' ILE . 2.7 mp -121.46 124.97 72.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 73.44 109.271 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 625' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -131.82 111.65 11.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 74.21 111.017 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 626' ' ' LYS . . . . . 0.507 ' O ' ' CB ' ' A' ' 627' ' ' SER . 0.0 OUTLIER 63.74 21.35 12.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 73.44 109.305 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 627' ' ' SER . . . . . 0.507 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.2 p 85.66 37.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 42.34 109.955 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 628' ' ' VAL . . . . . 0.756 ' CG1' HD21 ' A' ' 630' ' ' LEU . 54.6 t -124.9 114.38 40.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 71.31 109.27 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 629' ' ' LYS . . . . . 0.467 ' O ' HD23 ' A' ' 630' ' ' LEU . 3.4 mmmm -75.31 100.35 4.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 74.14 109.286 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 630' ' ' LEU . . . . . 0.841 HD22 HG22 ' A' ' 580' ' ' VAL . 32.6 mt -119.0 111.63 37.0 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 74.32 109.274 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 631' ' ' PRO . . . . . 0.648 ' HB2' HD11 ' A' ' 633' ' ' LEU . 18.2 Cg_endo -75.03 138.51 23.05 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.494 1.786 . . . . 70.03 110.987 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 632' ' ' VAL . . . . . 0.529 ' C ' HD13 ' A' ' 633' ' ' LEU . 31.0 t -100.09 89.08 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 73.33 109.267 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 633' ' ' LEU . . . . . 0.707 ' N ' HD13 ' A' ' 633' ' ' LEU . 0.1 OUTLIER -91.3 171.35 9.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 74.22 109.285 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 634' ' ' LYS . . . . . 0.581 ' CE ' ' CG ' ' A' ' 636' ' ' ARG . 1.5 ptmt -111.63 -171.39 1.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 74.41 109.324 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 635' ' ' VAL . . . . . 0.465 HG12 ' CD1' ' A' ' 652' ' ' TRP . 1.3 p -106.74 -44.31 7.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 74.22 109.259 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 636' ' ' ARG . . . . . 0.877 ' O ' HD13 ' A' ' 557' ' ' ILE . 2.9 ptp180 -60.15 -14.49 17.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 61.55 110.266 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 1.6 t -108.47 -16.11 14.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 50.34 109.988 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 638' ' ' MET . . . . . 0.527 ' CE ' ' NE1' ' A' ' 619' ' ' TRP . 34.9 mmt -106.41 122.35 46.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 71.35 110.981 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 639' ' ' LEU . . . . . 0.76 HD13 ' H ' ' A' ' 640' ' ' LEU . 0.3 OUTLIER -86.29 146.71 26.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 72.35 109.355 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 640' ' ' LEU . . . . . 0.76 ' H ' HD13 ' A' ' 639' ' ' LEU . 12.5 mt -114.33 95.47 5.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 60.11 109.331 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 641' ' ' GLU . . . . . 0.64 ' HB2' HD11 ' A' ' 555' ' ' LEU . 10.3 mt-10 -73.93 126.19 29.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 73.42 110.277 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 642' ' ' THR . . . . . 0.431 HG21 HD12 ' A' ' 647' ' ' ILE . 0.1 OUTLIER -138.83 159.98 64.93 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 74.55 110.38 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 1.22 8.01 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.509 1.794 . . . . 74.02 111.015 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -105.41 -10.67 16.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 71.34 110.285 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 124.46 134.69 4.28 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.514 1.134 . . . . 71.31 111.003 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 646' ' ' ARG . . . . . 0.436 ' HB3' HD11 ' A' ' 639' ' ' LEU . 7.2 mtm105 -44.31 148.84 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 0.729 . . . . 72.3 110.316 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 647' ' ' ILE . . . . . 0.431 HD12 HG21 ' A' ' 642' ' ' THR . 20.9 mt -138.72 138.82 41.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 70.55 109.296 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 648' ' ' GLN . . . . . 0.401 ' OE1' ' O ' ' A' ' 649' ' ' ALA . 0.1 OUTLIER -135.13 110.78 9.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 63.13 110.292 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 649' ' ' ALA . . . . . 0.501 ' HB1' ' HB2' ' A' ' 654' ' ' ARG . . . -106.54 165.72 11.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 53.2 109.319 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 11.9 mmtt -96.82 -32.77 11.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 55.3 109.302 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 18.7 mmmt -124.29 144.52 49.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 70.22 109.289 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 652' ' ' TRP . . . . . 0.694 ' CE3' ' CG ' ' A' ' 577' ' ' HIS . 42.5 m95 -61.53 -17.04 53.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 63.21 108.002 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 12.6 t -63.21 -12.97 32.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 62.4 110.016 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 654' ' ' ARG . . . . . 0.501 ' HB2' ' HB1' ' A' ' 649' ' ' ALA . 10.4 mmt180 -104.91 -26.62 12.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 75.13 110.3 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 655' ' ' VAL . . . . . 0.758 HG22 HD11 ' A' ' 640' ' ' LEU . 2.2 t -42.01 129.38 2.61 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.102 . . . . 53.4 109.289 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 656' ' ' PRO . . . . . 0.537 ' HD2' HD13 ' A' ' 640' ' ' LEU . 18.2 Cg_endo -75.01 -52.76 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.49 1.784 . . . . 74.12 110.982 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 657' ' ' PHE . . . . . 0.927 ' CE1' HG22 ' A' ' 659' ' ' VAL . 18.0 p90 -61.7 149.12 40.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.439 1.087 . . . . 72.13 110.944 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -84.71 146.37 27.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 72.35 109.992 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 659' ' ' VAL . . . . . 0.927 HG22 ' CE1' ' A' ' 657' ' ' PHE . 1.7 t -122.75 96.52 45.28 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 62.31 109.271 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 660' ' ' PRO . . . . . 0.447 ' O ' ' CB ' ' A' ' 570' ' ' ARG . 18.3 Cg_endo -75.0 147.38 33.85 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.474 1.776 . . . . 71.43 111.035 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 661' ' ' ASP . . . . . 0.404 ' HA ' ' O ' ' A' ' 571' ' ' LYS . 10.0 p30 -59.08 162.56 4.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 74.14 109.34 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 662' ' ' PHE . . . . . 0.743 ' CZ ' HG11 ' A' ' 628' ' ' VAL . 29.8 t80 -81.4 110.38 16.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 74.21 110.985 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 663' ' ' ASP . . . . . 0.423 ' O ' ' CB ' ' A' ' 667' ' ' HIS . 80.5 m-20 -71.2 109.14 5.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 74.33 109.3 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 664' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -79.46 -26.93 41.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 73.33 110.982 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 15.1 mt -76.31 -40.62 51.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 64.0 109.273 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -79.28 -48.68 13.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 71.2 110.293 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 667' ' ' HIS . . . . . 0.609 ' ND1' ' CE2' ' A' ' 662' ' ' PHE . 6.3 t60 -55.67 -44.92 77.71 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.529 1.143 . . . . 73.41 109.579 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 668' ' ' CYS . . . . . . . . . . . . . 42.9 t -68.87 -30.88 69.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 61.32 108.272 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -75.64 -11.57 60.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 53.05 109.346 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 670' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -115.73 -4.23 12.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 75.3 110.31 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 671' ' ' ASN . . . . . 0.495 ' ND2' ' NE2' ' A' ' 667' ' ' HIS . 3.0 m120 -105.85 -17.99 14.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 74.14 109.32 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 10.9 mt -99.8 -174.96 2.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 52.41 109.31 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -125.14 8.7 7.97 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.483 1.114 . . . . 74.42 110.001 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -60.16 -20.84 60.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 64.23 109.316 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 675' ' ' LEU . . . . . 0.53 HD22 ' N ' ' A' ' 675' ' ' LEU . 2.6 mm? -77.75 -66.1 0.88 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 74.34 109.278 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 676' ' ' SER . . . . . 0.719 ' C ' HD13 ' A' ' 677' ' ' LEU . 5.0 p -164.06 175.25 10.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 70.4 109.983 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 677' ' ' LEU . . . . . 0.719 HD13 ' C ' ' A' ' 676' ' ' SER . 0.1 OUTLIER -115.23 -40.51 3.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 70.33 109.318 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 28.1 t0 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 75.11 109.286 179.961 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 679' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.019 -0.832 . . . . 24.14 111.019 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 165.68 30.81 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.48 1.779 . . . . 71.43 110.992 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -72.81 163.96 27.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 64.12 109.603 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 545' ' ' MET . . . . . . . . . . . . . 34.3 mmm -97.78 68.95 2.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 61.43 111.006 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 546' ' ' GLN . . . . . 0.539 ' O ' ' CG ' ' A' ' 547' ' ' PHE . 29.6 mt-30 -99.42 164.42 12.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.122 . . . . 63.32 110.277 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 547' ' ' PHE . . . . . 0.675 ' CE1' HD11 ' A' ' 647' ' ' ILE . 93.8 m-85 -163.13 96.06 1.09 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 62.11 111.0 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 548' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 145.04 31.03 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.471 1.774 . . . . 51.43 111.044 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 549' ' ' VAL . . . . . 0.52 HG12 ' HB2' ' A' ' 657' ' ' PHE . 28.0 m -54.92 -43.97 70.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.108 . . . . 75.11 109.285 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -57.1 -18.68 15.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 74.44 110.267 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -101.48 -22.89 14.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 61.21 109.601 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 552' ' ' VAL . . . . . 0.782 HG21 ' HB3' ' A' ' 657' ' ' PHE . 55.3 t -88.78 129.67 39.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 51.21 109.338 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -117.86 148.76 41.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 72.4 110.32 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 554' ' ' LEU . . . . . 0.914 HD11 HD23 ' A' ' 569' ' ' LEU . 1.2 mt -92.06 114.08 26.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 63.24 109.303 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 555' ' ' LEU . . . . . 0.812 HD11 ' HB2' ' A' ' 641' ' ' GLU . 0.2 OUTLIER -135.06 177.26 7.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 71.41 109.314 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 556' ' ' CYS . . . . . 0.545 ' O ' ' N ' ' A' ' 560' ' ' MET . 5.3 t -102.51 102.55 12.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.013 -0.994 . . . . 73.32 110.881 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 557' ' ' ILE . . . . . 0.861 HD13 ' O ' ' A' ' 636' ' ' ARG . 1.3 pt -34.65 -34.21 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 73.14 109.299 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 558' ' ' ASN . . . . . 0.515 ' N ' ' O ' ' A' ' 556' ' ' CYS . 5.1 m-20 -73.95 -62.02 1.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 52.42 109.311 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 559' ' ' CYS . . . . . 0.494 ' O ' ' HB2' ' A' ' 560' ' ' MET . 1.7 m -80.59 -67.98 0.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 61.02 108.279 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 560' ' ' MET . . . . . 0.545 ' N ' ' O ' ' A' ' 556' ' ' CYS . 25.0 mtm 78.26 45.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 72.3 111.04 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 561' ' ' VAL . . . . . 0.696 ' O ' ' HB3' ' A' ' 562' ' ' ALA . 1.0 OUTLIER -104.95 -4.79 9.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 64.33 109.323 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 562' ' ' ALA . . . . . 0.696 ' HB3' ' O ' ' A' ' 561' ' ' VAL . . . 85.78 101.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 75.25 109.337 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 563' ' ' VAL . . . . . 0.693 HG12 ' CD1' ' A' ' 587' ' ' TYR . 1.7 m -99.71 -6.2 9.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 70.35 109.311 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -179.92 -160.22 25.05 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.505 1.128 . . . . 53.2 110.999 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 565' ' ' HIS . . . . . . . . . . . . . 9.1 m80 -127.22 148.72 50.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 0.768 . . . . 63.02 109.557 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 566' ' ' GLY . . . . . 0.573 ' O ' HD11 ' A' ' 569' ' ' LEU . . . -74.64 -9.67 82.55 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.517 1.135 . . . . 73.21 111.009 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 15.9 t -106.5 7.58 30.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 0.758 . . . . 45.43 109.974 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -113.48 -11.9 13.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 74.14 109.35 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 569' ' ' LEU . . . . . 0.914 HD23 HD11 ' A' ' 554' ' ' LEU . 0.2 OUTLIER -86.04 151.4 23.74 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 71.11 109.33 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 570' ' ' ARG . . . . . 0.746 ' HA ' HG23 ' A' ' 659' ' ' VAL . 92.0 mtt-85 -143.66 132.08 22.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 65.23 110.314 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 4.1 ptpt -73.99 158.25 34.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 71.33 109.274 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 572' ' ' VAL . . . . . 0.498 HG23 ' CG2' ' A' ' 578' ' ' VAL . 2.7 t -109.34 102.34 13.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 64.31 109.34 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 573' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 572' ' ' VAL . 8.0 pt-20 38.67 30.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 74.2 110.29 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 574' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 572' ' ' VAL . . . 58.54 49.66 74.64 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.54 1.15 . . . . 33.24 110.989 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 575' ' ' THR . . . . . 0.531 ' O ' ' CG ' ' A' ' 576' ' ' HIS . 2.0 m -117.23 -35.89 3.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 0.749 . . . . 35.02 110.437 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 576' ' ' HIS . . . . . 0.848 ' O ' HG13 ' A' ' 578' ' ' VAL . 6.0 m80 -173.64 109.51 0.16 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 72.51 109.598 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 577' ' ' HIS . . . . . 0.542 ' HE1' HG13 ' A' ' 659' ' ' VAL . 4.5 m-70 -47.12 127.52 10.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 75.24 109.618 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 578' ' ' VAL . . . . . 0.848 HG13 ' O ' ' A' ' 576' ' ' HIS . 23.1 m -133.23 108.41 12.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 75.14 109.309 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 579' ' ' ASN . . . . . 0.721 ' ND2' ' CE1' ' A' ' 584' ' ' PHE . 2.4 t30 -76.55 115.27 16.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.533 1.146 . . . . 65.13 109.301 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 580' ' ' VAL . . . . . 0.947 HG22 HD22 ' A' ' 630' ' ' LEU . 3.6 t -85.65 138.72 18.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 74.03 109.327 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 581' ' ' ASN . . . . . 0.469 ' CB ' ' HB2' ' A' ' 584' ' ' PHE . 2.9 m120 178.06 129.27 0.21 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 71.32 109.278 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 582' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -34.44 3.86 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.488 1.783 . . . . 71.25 111.028 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 583' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -78.23 -3.05 40.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 74.44 109.316 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 584' ' ' PHE . . . . . 0.721 ' CE1' ' ND2' ' A' ' 579' ' ' ASN . 2.3 t80 -71.18 -32.43 68.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 73.34 110.978 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 585' ' ' SER . . . . . 0.531 ' HA ' ' CE2' ' A' ' 588' ' ' TYR . 72.8 m -59.38 -23.48 62.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 73.3 110.021 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -87.38 -15.7 37.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 74.24 109.29 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 587' ' ' TYR . . . . . 0.693 ' CD1' HG12 ' A' ' 563' ' ' VAL . 5.1 m-85 -94.24 2.07 55.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 71.11 111.013 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 588' ' ' TYR . . . . . 0.702 ' CD1' HG23 ' A' ' 610' ' ' ILE . 2.1 p90 -161.17 163.55 31.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 60.53 110.996 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 589' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -131.09 126.46 35.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 73.32 109.301 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 590' ' ' VAL . . . . . 0.645 HG23 ' HE1' ' A' ' 588' ' ' TYR . 13.2 t -72.79 141.42 16.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 51.35 109.283 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 591' ' ' SER . . . . . 0.402 ' OG ' ' N ' ' A' ' 592' ' ' ARG . 3.9 t -54.68 174.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 75.24 110.014 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 592' ' ' ARG . . . . . 0.402 ' N ' ' OG ' ' A' ' 591' ' ' SER . 66.0 ttt180 -79.03 -42.86 25.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 73.04 110.283 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.96 149.82 16.57 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 63.02 109.29 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -89.6 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.539 1.81 . . . . 42.02 111.011 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 595' ' ' VAL . . . . . 0.65 HG13 ' HG2' ' A' ' 606' ' ' PRO . 50.8 t -103.65 127.01 58.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 70.14 109.317 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 596' ' ' VAL . . . . . . . . . . . . . 2.9 t -134.63 78.95 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 63.35 109.303 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 597' ' ' ILE . . . . . 0.63 HD12 ' HB3' ' A' ' 606' ' ' PRO . 2.5 mt -143.28 154.24 16.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 72.23 109.284 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 598' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -62.82 -51.65 66.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 75.15 109.302 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -136.35 132.97 36.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 74.24 109.339 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 600' ' ' VAL . . . . . 0.403 HG13 ' HD3' ' A' ' 606' ' ' PRO . 2.5 t -82.97 148.1 5.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 64.41 109.291 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 601' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -117.19 165.44 13.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 73.22 111.005 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -97.57 -49.75 4.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 73.4 109.34 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -45.0 -40.14 6.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 70.43 109.24 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 604' ' ' TRP . . . . . 0.488 ' CE3' ' HB3' ' A' ' 623' ' ' MET . 0.6 OUTLIER -157.15 123.7 4.99 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.999 -1.112 . . . . 73.3 107.999 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 605' ' ' LYS . . . . . . . . . . . . . 9.4 pttt -86.61 165.33 33.38 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 74.02 109.234 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 606' ' ' PRO . . . . . 0.65 ' HG2' HG13 ' A' ' 595' ' ' VAL . 18.4 Cg_endo -75.04 -169.47 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.497 1.788 . . . . 75.05 111.008 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 607' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 622' ' ' GLN . . . -150.44 -74.27 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.503 1.127 . . . . 40.33 111.01 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 608' ' ' GLY . . . . . 0.489 ' HA3' HG13 ' A' ' 590' ' ' VAL . . . 176.53 161.36 25.32 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.009 -0.836 . . . . 74.54 111.009 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 10.9 t -63.8 131.87 29.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.504 0.767 . . . . 72.5 109.318 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 610' ' ' ILE . . . . . 0.702 HG23 ' CD1' ' A' ' 588' ' ' TYR . 0.6 OUTLIER -99.81 142.5 15.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 72.41 109.295 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -134.66 129.11 34.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 73.43 110.026 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 612' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 616' ' ' GLY . 38.1 t -59.12 108.06 0.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 75.33 108.291 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 7.7 ttt180 -64.95 -32.96 74.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 73.54 110.255 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 614' ' ' ASN . . . . . 0.414 ' ND2' HG21 ' A' ' 561' ' ' VAL . 3.5 m120 -57.77 -48.38 79.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 72.34 109.251 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 615' ' ' CYS . . . . . 0.433 ' SG ' ' N ' ' A' ' 559' ' ' CYS . 3.1 m -117.83 -73.66 0.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 61.33 108.289 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 616' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 157.17 -23.77 0.46 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.461 1.101 . . . . 62.22 111.005 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -42.76 109.12 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 0.742 . . . . 74.03 110.313 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 11.6 t -58.12 131.12 22.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 71.11 109.321 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 619' ' ' TRP . . . . . 0.534 ' NE1' ' CE ' ' A' ' 638' ' ' MET . 45.1 m0 -88.04 -46.33 9.42 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.952 -1.129 . . . . 74.45 107.952 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 620' ' ' GLY . . . . . . . . . . . . . . . 166.09 -108.44 0.32 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.496 1.122 . . . . 63.55 110.988 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 621' ' ' LEU . . . . . 0.658 ' C ' HD12 ' A' ' 621' ' ' LEU . 0.4 OUTLIER -149.32 169.95 19.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 0.763 . . . . 74.1 109.354 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 622' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 607' ' ' GLY . 1.1 tt0 -105.21 138.69 41.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 55.24 110.278 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 623' ' ' MET . . . . . 0.617 ' HG3' HG21 ' A' ' 632' ' ' VAL . 16.6 mmm -131.37 133.06 44.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 72.44 111.036 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 624' ' ' ILE . . . . . 0.446 HD12 ' N ' ' A' ' 624' ' ' ILE . 5.2 mp -99.98 137.71 26.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 75.23 109.306 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 625' ' ' TYR . . . . . 0.473 ' O ' ' CD2' ' A' ' 625' ' ' TYR . 15.0 t80 -136.77 105.02 5.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 73.51 110.975 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 626' ' ' LYS . . . . . 0.511 ' O ' ' CB ' ' A' ' 627' ' ' SER . 6.7 mmpt? 70.73 21.7 5.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 74.35 109.336 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 627' ' ' SER . . . . . 0.511 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.2 p 85.58 39.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 74.24 110.006 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 628' ' ' VAL . . . . . 0.728 HG12 ' HG ' ' A' ' 630' ' ' LEU . 43.5 t -129.39 110.48 20.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 74.12 109.294 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm -68.42 99.46 0.96 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 72.51 109.311 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 630' ' ' LEU . . . . . 0.947 HD22 HG22 ' A' ' 580' ' ' VAL . 46.0 mt -115.3 111.86 44.24 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 71.45 109.3 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 631' ' ' PRO . . . . . 0.686 ' HB2' HD11 ' A' ' 633' ' ' LEU . 18.2 Cg_endo -75.01 140.79 25.83 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.473 1.775 . . . . 73.11 110.998 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 632' ' ' VAL . . . . . 0.85 ' C ' HD13 ' A' ' 633' ' ' LEU . 5.5 t -106.27 99.98 9.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 61.22 109.302 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 633' ' ' LEU . . . . . 0.85 HD13 ' C ' ' A' ' 632' ' ' VAL . 0.0 OUTLIER -104.54 171.31 7.4 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.123 . . . . 72.53 109.271 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 634' ' ' LYS . . . . . 0.478 ' CD ' ' O ' ' A' ' 619' ' ' TRP . 0.5 OUTLIER -97.93 -172.3 2.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 74.55 109.283 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 635' ' ' VAL . . . . . 0.526 HG11 ' CA ' ' A' ' 651' ' ' LYS . 4.2 p -109.1 -22.69 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 71.2 109.298 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 636' ' ' ARG . . . . . 0.861 ' O ' HD13 ' A' ' 557' ' ' ILE . 0.0 OUTLIER -83.99 -12.49 55.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 73.42 110.286 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 637' ' ' SER . . . . . 0.473 ' O ' ' HE2' ' A' ' 638' ' ' MET . 11.0 m -102.25 -15.39 16.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.12 . . . . 74.35 110.04 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 638' ' ' MET . . . . . 0.534 ' CE ' ' NE1' ' A' ' 619' ' ' TRP . 34.6 mmt -109.81 128.8 55.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 74.42 110.982 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 639' ' ' LEU . . . . . 0.693 HD12 ' HA ' ' A' ' 557' ' ' ILE . 0.7 OUTLIER -95.81 150.85 19.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 64.35 109.307 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 640' ' ' LEU . . . . . 0.492 HD13 ' O ' ' A' ' 639' ' ' LEU . 0.9 OUTLIER -113.41 94.75 5.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 64.13 109.311 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 641' ' ' GLU . . . . . 0.812 ' HB2' HD11 ' A' ' 555' ' ' LEU . 7.0 mt-10 -73.82 121.6 21.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 50.24 110.27 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 642' ' ' THR . . . . . 0.627 HG21 HD12 ' A' ' 647' ' ' ILE . 0.1 OUTLIER -131.33 160.12 68.6 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 52.32 110.411 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 1.79 7.31 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.523 1.801 . . . . 71.3 110.974 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -108.96 -4.55 16.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 71.23 110.294 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 124.27 146.02 6.83 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.53 1.144 . . . . 54.21 111.039 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 646' ' ' ARG . . . . . 0.458 ' HB3' HD21 ' A' ' 639' ' ' LEU . 55.2 mtm-85 -55.81 146.37 21.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 0.746 . . . . 75.13 110.332 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 647' ' ' ILE . . . . . 0.675 HD11 ' CE1' ' A' ' 547' ' ' PHE . 49.2 mt -136.24 121.51 27.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 35.14 109.27 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 648' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.83 109.77 15.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 74.55 110.32 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 649' ' ' ALA . . . . . . . . . . . . . . . -107.32 176.07 5.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.437 1.086 . . . . 71.41 109.298 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 28.4 mttm -124.25 1.62 8.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 73.34 109.277 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 651' ' ' LYS . . . . . 0.526 ' CA ' HG11 ' A' ' 635' ' ' VAL . 0.7 OUTLIER -145.24 137.35 25.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 54.42 109.292 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 652' ' ' TRP . . . . . 0.588 ' HA ' HG23 ' A' ' 655' ' ' VAL . 65.0 m95 -66.98 -12.33 59.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 74.41 108.0 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 47.1 t -72.04 -19.98 61.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 63.51 109.991 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 654' ' ' ARG . . . . . . . . . . . . . 10.3 mmt180 -103.06 -16.33 15.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 72.14 110.312 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 655' ' ' VAL . . . . . 0.665 HG13 ' CD1' ' A' ' 657' ' ' PHE . 2.2 t -40.23 132.97 1.57 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 71.12 109.287 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 656' ' ' PRO . . . . . 0.461 ' HB2' ' CB ' ' A' ' 547' ' ' PHE . 18.4 Cg_endo -75.0 -53.94 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.514 1.797 . . . . 73.35 111.005 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 657' ' ' PHE . . . . . 0.782 ' HB3' HG21 ' A' ' 552' ' ' VAL . 49.6 p90 -66.5 172.15 4.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 73.03 111.009 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 658' ' ' SER . . . . . 0.459 ' O ' HG11 ' A' ' 549' ' ' VAL . 0.8 OUTLIER -120.46 150.05 41.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 71.32 109.969 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 659' ' ' VAL . . . . . 0.746 HG23 ' HA ' ' A' ' 570' ' ' ARG . 0.1 OUTLIER -149.29 115.3 3.63 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 65.42 109.317 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 660' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 173.68 14.09 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.531 1.806 . . . . 72.11 110.975 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.32 150.77 44.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 64.12 109.298 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 662' ' ' PHE . . . . . 0.537 ' CE1' ' CD2' ' A' ' 667' ' ' HIS . 64.1 t80 -63.85 110.88 2.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 75.13 110.981 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 663' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -81.44 118.5 22.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 72.21 109.316 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 664' ' ' PHE . . . . . 0.499 ' O ' ' CB ' ' A' ' 668' ' ' CYS . 7.2 t80 -74.14 -39.83 63.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 74.42 110.983 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 20.2 mt -62.5 -34.55 77.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 73.42 109.262 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 666' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 669' ' ' ALA . 1.4 tm0? -77.92 -65.69 0.94 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 62.24 110.305 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 667' ' ' HIS . . . . . 0.537 ' CD2' ' CE1' ' A' ' 662' ' ' PHE . 6.6 t-80 -47.84 -39.81 19.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 74.34 109.637 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 668' ' ' CYS . . . . . 0.499 ' CB ' ' O ' ' A' ' 664' ' ' PHE . 50.6 t -68.27 -35.74 78.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 73.13 108.301 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 669' ' ' ALA . . . . . 0.563 ' O ' HD23 ' A' ' 675' ' ' LEU . . . -71.32 -11.52 60.95 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.136 . . . . 63.34 109.287 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 670' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -115.83 -2.33 12.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 74.44 110.289 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -108.62 -15.5 14.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 52.2 109.3 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 16.1 mt -102.78 -174.94 2.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 74.32 109.332 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 41.3 m -121.93 6.09 9.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 72.44 109.964 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -53.1 -25.33 12.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 73.42 109.265 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 675' ' ' LEU . . . . . 0.563 HD23 ' O ' ' A' ' 669' ' ' ALA . 1.0 OUTLIER -87.98 -70.2 0.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 73.13 109.291 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 676' ' ' SER . . . . . . . . . . . . . 1.8 m -154.86 165.23 37.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 71.31 110.011 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 677' ' ' LEU . . . . . 0.6 ' N ' HD12 ' A' ' 677' ' ' LEU . 1.9 mp -87.16 -47.42 8.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 71.34 109.307 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 34.5 t0 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.15 . . . . 64.42 109.345 179.959 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 679' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.997 -0.841 . . . . 52.15 110.997 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 164.36 33.56 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.475 1.777 . . . . 74.21 110.997 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 24.9 m170 -65.99 161.54 21.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 74.43 109.585 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 545' ' ' MET . . . . . 0.515 ' C ' ' CE1' ' A' ' 547' ' ' PHE . 77.5 mtp -124.43 66.44 1.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 75.53 111.03 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 546' ' ' GLN . . . . . 0.593 ' C ' ' CD1' ' A' ' 547' ' ' PHE . 10.1 mt-30 -121.41 139.11 53.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 72.24 110.272 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 547' ' ' PHE . . . . . 0.593 ' CD1' ' C ' ' A' ' 546' ' ' GLN . 0.1 OUTLIER -159.28 101.77 1.54 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 75.4 110.999 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 548' ' ' PRO . . . . . 0.464 ' O ' HG23 ' A' ' 552' ' ' VAL . 18.2 Cg_endo -75.03 140.67 25.64 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.504 1.792 . . . . 75.2 111.022 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 549' ' ' VAL . . . . . 0.596 HG12 ' HB2' ' A' ' 657' ' ' PHE . 33.7 m -52.47 -46.43 47.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 63.33 109.307 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 550' ' ' GLU . . . . . 0.411 ' N ' HG23 ' A' ' 549' ' ' VAL . 3.1 pt-20 -54.03 -24.19 16.19 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 72.45 110.298 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 551' ' ' HIS . . . . . 0.449 ' CG ' ' HG2' ' A' ' 548' ' ' PRO . 23.2 m170 -98.24 -24.15 15.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 63.01 109.597 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 552' ' ' VAL . . . . . 0.588 ' CG1' HD12 ' A' ' 640' ' ' LEU . 98.9 t -88.56 121.73 39.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 73.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 553' ' ' GLN . . . . . 0.74 ' HB3' HD11 ' A' ' 555' ' ' LEU . 9.5 tt0 -107.48 169.74 8.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 54.44 110.308 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 554' ' ' LEU . . . . . 0.796 HD11 HD23 ' A' ' 569' ' ' LEU . 1.9 mt -107.7 106.54 16.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 75.04 109.313 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 555' ' ' LEU . . . . . 0.84 HD12 ' N ' ' A' ' 555' ' ' LEU . 0.1 OUTLIER -122.83 170.63 9.9 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.469 1.106 . . . . 75.22 109.283 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 556' ' ' CYS . . . . . 0.556 ' O ' ' N ' ' A' ' 560' ' ' MET . 3.6 t -102.54 110.11 21.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 114.976 -1.011 . . . . 62.34 110.923 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 557' ' ' ILE . . . . . 0.894 HD13 ' O ' ' A' ' 636' ' ' ARG . 0.7 OUTLIER -36.46 -31.89 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 74.41 109.262 -179.911 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 558' ' ' ASN . . . . . 0.502 ' N ' ' O ' ' A' ' 556' ' ' CYS . 5.7 m-20 -86.53 -67.02 0.84 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 71.04 109.307 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 559' ' ' CYS . . . . . 0.469 ' O ' ' HB2' ' A' ' 560' ' ' MET . 3.9 m -62.53 -64.97 0.76 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 71.23 108.282 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 560' ' ' MET . . . . . 0.556 ' N ' ' O ' ' A' ' 556' ' ' CYS . 10.8 mtm 68.04 40.81 2.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 64.43 111.004 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 561' ' ' VAL . . . . . 0.429 ' O ' HG23 ' A' ' 561' ' ' VAL . 1.0 OUTLIER -115.67 11.41 7.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 61.32 109.321 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 562' ' ' ALA . . . . . 0.422 ' HA ' ' HG ' ' A' ' 555' ' ' LEU . . . 65.8 113.43 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 74.33 109.318 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 563' ' ' VAL . . . . . 0.968 HG12 ' CD1' ' A' ' 587' ' ' TYR . 0.8 OUTLIER -108.69 -16.91 8.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 51.4 109.296 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -159.14 -141.03 3.04 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.444 1.09 . . . . 55.52 110.993 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 565' ' ' HIS . . . . . . . . . . . . . 52.7 m80 -150.09 153.16 35.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 0.768 . . . . 75.22 109.598 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 566' ' ' GLY . . . . . 0.653 ' O ' HD11 ' A' ' 569' ' ' LEU . . . -85.38 -0.9 88.26 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.496 1.123 . . . . 43.04 110.959 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 54.8 p -112.48 2.02 16.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 0.741 . . . . 73.22 109.965 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 568' ' ' ASP . . . . . 0.441 ' O ' ' NH1' ' A' ' 570' ' ' ARG . 1.6 m-20 -110.82 -18.8 13.03 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 71.22 109.307 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 569' ' ' LEU . . . . . 0.796 HD23 HD11 ' A' ' 554' ' ' LEU . 0.2 OUTLIER -77.71 157.13 30.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 70.52 109.272 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 570' ' ' ARG . . . . . 0.664 ' HA ' HG23 ' A' ' 659' ' ' VAL . 8.0 mpt_? -132.14 -177.2 4.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 72.32 110.287 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 571' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 662' ' ' PHE . 15.1 ttmt -120.0 158.32 27.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 72.4 109.311 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 2.5 t -131.75 104.58 8.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 74.22 109.287 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 573' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 38.97 39.68 0.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 42.11 110.254 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 40.84 50.65 4.12 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.534 1.146 . . . . 55.5 110.974 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 575' ' ' THR . . . . . 0.537 ' O ' ' CG ' ' A' ' 576' ' ' HIS . 2.8 m -109.8 -50.63 2.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 0.754 . . . . 61.55 110.427 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 576' ' ' HIS . . . . . 0.721 ' O ' HG13 ' A' ' 578' ' ' VAL . 29.6 m80 -163.53 106.68 0.99 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 75.14 109.579 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 577' ' ' HIS . . . . . 0.608 ' CE1' ' CB ' ' A' ' 652' ' ' TRP . 19.5 m80 -41.08 133.48 2.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 73.31 109.572 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 578' ' ' VAL . . . . . 0.721 HG13 ' O ' ' A' ' 576' ' ' HIS . 30.3 m -129.33 109.66 18.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 73.32 109.322 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 579' ' ' ASN . . . . . 0.481 ' HB3' HD23 ' A' ' 633' ' ' LEU . 1.6 t-20 -79.69 108.32 13.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 64.3 109.32 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 580' ' ' VAL . . . . . 0.801 HG13 HD23 ' A' ' 630' ' ' LEU . 2.5 t -82.31 140.21 16.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 55.13 109.271 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 581' ' ' ASN . . . . . 0.459 ' CB ' ' HB2' ' A' ' 584' ' ' PHE . 3.2 m120 179.42 128.39 0.23 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 74.44 109.325 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 582' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -33.54 4.54 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.504 1.792 . . . . 70.32 110.993 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 583' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -80.04 0.23 32.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 64.34 109.34 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 584' ' ' PHE . . . . . 0.525 ' O ' ' CD2' ' A' ' 588' ' ' TYR . 3.0 t80 -73.16 -30.19 63.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 63.05 110.962 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 585' ' ' SER . . . . . 0.466 ' HA ' ' CE2' ' A' ' 588' ' ' TYR . 30.0 p -57.94 -23.8 55.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 75.23 110.009 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -87.73 -17.85 30.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 74.31 109.317 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 587' ' ' TYR . . . . . 0.968 ' CD1' HG12 ' A' ' 563' ' ' VAL . 7.7 m-85 -93.74 4.55 53.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 64.43 110.994 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 588' ' ' TYR . . . . . 0.832 ' CD1' HG23 ' A' ' 610' ' ' ILE . 1.3 p90 -164.06 159.91 21.07 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.142 . . . . 75.41 111.004 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 589' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -135.88 129.43 32.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 70.53 109.33 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 590' ' ' VAL . . . . . 0.579 HG13 ' HA3' ' A' ' 608' ' ' GLY . 21.3 t -72.55 139.98 18.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 73.01 109.338 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 591' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 592' ' ' ARG . 13.3 t -50.16 146.18 5.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 75.51 110.04 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 592' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 591' ' ' SER . 0.0 OUTLIER -36.72 -59.17 0.7 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.169 . . . . 71.23 110.287 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 593' ' ' ASP . . . . . 0.405 ' O ' ' O ' ' A' ' 591' ' ' SER . 1.1 m-20 -58.26 153.49 36.62 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 72.34 109.309 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -85.01 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.527 1.804 . . . . 60.41 111.009 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 595' ' ' VAL . . . . . 0.57 HG22 ' O ' ' A' ' 607' ' ' GLY . 76.8 t -115.94 119.2 61.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 71.4 109.285 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 596' ' ' VAL . . . . . . . . . . . . . 2.2 t -134.15 88.89 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 75.22 109.291 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 597' ' ' ILE . . . . . 0.546 HD11 ' CD1' ' A' ' 621' ' ' LEU . 3.5 mm -134.97 160.87 40.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 72.45 109.291 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 598' ' ' ASN . . . . . 0.42 ' N ' HG22 ' A' ' 597' ' ' ILE . 67.1 m-20 -73.1 -54.37 8.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 72.13 109.297 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.3 176.19 6.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 72.34 109.277 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 600' ' ' VAL . . . . . . . . . . . . . 60.4 t -118.33 154.03 20.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 74.24 109.308 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 601' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -106.23 164.95 11.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 72.43 111.03 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 602' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 603' ' ' ASP . 0.2 OUTLIER -99.9 -61.38 1.38 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 72.15 109.302 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 603' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 602' ' ' LYS . 4.1 m-20 -40.67 -33.95 0.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.1 . . . . 72.41 109.287 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 604' ' ' TRP . . . . . 0.549 ' CD2' ' SD ' ' A' ' 623' ' ' MET . 0.2 OUTLIER -157.2 174.99 14.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 74.43 107.98 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 605' ' ' LYS . . . . . . . . . . . . . 15.3 pttt -118.52 157.36 49.79 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 74.44 109.321 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 606' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 146.06 32.47 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.483 1.781 . . . . 72.22 111.015 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 607' ' ' GLY . . . . . 0.57 ' O ' HG22 ' A' ' 595' ' ' VAL . . . -111.73 -93.21 2.13 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.485 1.116 . . . . 73.3 111.019 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 608' ' ' GLY . . . . . 0.579 ' HA3' HG13 ' A' ' 590' ' ' VAL . . . -160.74 144.6 10.08 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.005 -0.838 . . . . 65.41 111.005 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 609' ' ' VAL . . . . . 0.433 ' CG1' HG13 ' A' ' 618' ' ' VAL . 58.1 t -53.34 124.16 5.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.515 0.773 . . . . 52.32 109.267 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 610' ' ' ILE . . . . . 0.832 HG23 ' CD1' ' A' ' 588' ' ' TYR . 1.0 OUTLIER -93.76 145.09 8.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 64.42 109.306 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -142.82 117.38 9.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 62.34 109.951 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 612' ' ' CYS . . . . . 0.445 ' O ' ' N ' ' A' ' 616' ' ' GLY . 26.6 t -44.74 119.79 2.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 75.44 108.314 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 10.1 ttt180 -69.36 -28.65 66.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 71.22 110.245 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 614' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -64.28 -39.62 94.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 72.0 109.325 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 615' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -121.69 -75.95 0.59 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 64.32 108.284 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 616' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 149.44 -18.64 1.16 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.496 1.123 . . . . 51.21 111.039 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -42.81 105.72 0.05 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 0.759 . . . . 53.11 110.294 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 618' ' ' VAL . . . . . 0.433 HG13 ' CG1' ' A' ' 609' ' ' VAL . 88.7 t -55.34 112.06 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 63.42 109.319 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 619' ' ' TRP . . . . . 0.801 ' CE2' ' HE3' ' A' ' 638' ' ' MET . 36.7 m0 -70.14 -54.45 12.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 72.22 108.011 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 620' ' ' GLY . . . . . 0.409 ' O ' ' HA ' ' A' ' 609' ' ' VAL . . . -179.37 -101.16 0.15 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.486 1.116 . . . . 55.11 110.993 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 621' ' ' LEU . . . . . 0.827 ' C ' HD23 ' A' ' 621' ' ' LEU . 0.0 OUTLIER -160.82 157.18 26.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 0.772 . . . . 73.34 109.289 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 622' ' ' GLN . . . . . 0.554 ' HA ' HD11 ' A' ' 610' ' ' ILE . 0.8 OUTLIER -86.27 137.17 32.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 71.34 110.309 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 623' ' ' MET . . . . . 0.679 ' C ' HD12 ' A' ' 624' ' ' ILE . 5.2 mmt -117.67 153.55 33.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 73.42 110.961 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 624' ' ' ILE . . . . . 0.795 HD12 ' N ' ' A' ' 624' ' ' ILE . 2.3 mp -118.95 133.81 64.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.572 1.17 . . . . 73.23 109.304 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 625' ' ' TYR . . . . . 0.438 ' HB3' HD12 ' A' ' 630' ' ' LEU . 24.8 t80 -139.08 107.38 5.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.122 . . . . 60.02 111.026 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 626' ' ' LYS . . . . . 0.564 ' HG2' ' CZ ' ' A' ' 664' ' ' PHE . 0.1 OUTLIER 67.96 18.51 9.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 73.2 109.311 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 627' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.1 p 85.43 43.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.122 . . . . 71.54 110.023 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 628' ' ' VAL . . . . . 0.666 HG12 ' HG ' ' A' ' 630' ' ' LEU . 43.9 t -129.13 131.27 68.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 54.34 109.316 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 10.3 mmmt -77.9 100.03 6.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 73.23 109.302 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 630' ' ' LEU . . . . . 0.801 HD23 HG13 ' A' ' 580' ' ' VAL . 26.0 mt -120.46 112.54 34.16 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 75.42 109.262 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 631' ' ' PRO . . . . . 0.679 ' HB2' HD11 ' A' ' 633' ' ' LEU . 18.3 Cg_endo -74.99 138.23 22.79 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.544 1.813 . . . . 72.02 111.006 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 632' ' ' VAL . . . . . 0.731 ' C ' HD13 ' A' ' 633' ' ' LEU . 59.5 t -105.72 93.67 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 65.33 109.285 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 633' ' ' LEU . . . . . 0.815 ' N ' HD13 ' A' ' 633' ' ' LEU . 0.0 OUTLIER -98.5 171.94 7.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 74.41 109.282 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 2.4 pttt -110.92 -173.65 2.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.097 . . . . 45.32 109.281 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 635' ' ' VAL . . . . . 0.925 HG11 ' C ' ' A' ' 651' ' ' LYS . 8.9 p -103.01 -23.01 4.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 71.5 109.323 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 636' ' ' ARG . . . . . 0.894 ' O ' HD13 ' A' ' 557' ' ' ILE . 5.4 mtm180 -67.45 -39.01 85.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 73.4 110.313 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 88.8 p -89.55 -6.32 56.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 50.44 109.998 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 638' ' ' MET . . . . . 0.801 ' HE3' ' CE2' ' A' ' 619' ' ' TRP . 32.4 mmt -112.88 122.95 49.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.113 . . . . 72.12 111.014 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 639' ' ' LEU . . . . . 0.765 HD21 ' HD2' ' A' ' 646' ' ' ARG . 14.4 tp -98.2 138.07 36.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 75.51 109.365 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 640' ' ' LEU . . . . . 0.643 ' H ' HD12 ' A' ' 639' ' ' LEU . 1.9 mm? -99.76 116.92 32.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.138 . . . . 74.35 109.263 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 641' ' ' GLU . . . . . 0.461 ' CD ' HD21 ' A' ' 555' ' ' LEU . 7.4 mt-10 -89.37 129.7 35.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 74.54 110.302 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 642' ' ' THR . . . . . 0.666 HG21 HD12 ' A' ' 647' ' ' ILE . 0.2 OUTLIER -141.03 160.28 58.68 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 61.35 110.402 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 2.36 6.72 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.518 1.799 . . . . 75.42 111.033 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -109.48 -4.95 15.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 75.23 110.29 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 120.91 134.18 4.58 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.483 1.114 . . . . 50.41 110.972 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 646' ' ' ARG . . . . . 0.765 ' HD2' HD21 ' A' ' 639' ' ' LEU . 23.9 mtm-85 -46.36 148.26 0.97 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 0.778 . . . . 64.44 110.336 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 647' ' ' ILE . . . . . 0.666 HD12 HG21 ' A' ' 642' ' ' THR . 18.2 mt -133.6 121.54 41.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 75.32 109.299 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 648' ' ' GLN . . . . . 0.431 ' OE1' ' N ' ' A' ' 649' ' ' ALA . 0.3 OUTLIER -122.0 108.9 13.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 75.23 110.319 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 649' ' ' ALA . . . . . 0.431 ' N ' ' OE1' ' A' ' 648' ' ' GLN . . . -106.35 -174.49 2.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 32.42 109.314 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 51.5 mttt -115.14 -9.79 12.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 75.21 109.283 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 651' ' ' LYS . . . . . 0.925 ' C ' HG11 ' A' ' 635' ' ' VAL . 2.6 mmmp? -142.43 160.57 40.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 64.24 109.334 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 652' ' ' TRP . . . . . 0.738 ' HA ' HG23 ' A' ' 655' ' ' VAL . 22.2 m95 -80.23 -5.38 56.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 74.54 107.955 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 2.2 t -68.05 -13.75 62.44 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.472 1.107 . . . . 75.34 110.011 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 654' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 655' ' ' VAL . 9.0 mmt180 -109.55 -16.49 13.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 74.34 110.32 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 655' ' ' VAL . . . . . 0.803 HG13 ' CD1' ' A' ' 657' ' ' PHE . 2.5 t -40.19 126.93 1.7 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 70.22 109.308 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 656' ' ' PRO . . . . . 0.523 ' HB2' ' CG ' ' A' ' 547' ' ' PHE . 18.2 Cg_endo -75.01 -49.6 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.445 1.761 . . . . 74.52 110.926 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 657' ' ' PHE . . . . . 0.803 ' CD1' HG13 ' A' ' 655' ' ' VAL . 40.4 p90 -67.84 173.16 4.62 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.468 1.105 . . . . 74.11 111.005 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 658' ' ' SER . . . . . 0.543 ' O ' HG11 ' A' ' 549' ' ' VAL . 0.7 OUTLIER -121.26 149.98 42.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 74.25 110.008 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 659' ' ' VAL . . . . . 0.664 HG23 ' HA ' ' A' ' 570' ' ' ARG . 0.2 OUTLIER -150.36 106.52 3.14 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 51.42 109.319 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 660' ' ' PRO . . . . . 0.411 ' O ' ' N ' ' A' ' 571' ' ' LYS . 18.3 Cg_endo -75.04 177.69 8.27 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.519 1.8 . . . . 71.25 111.029 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -58.58 161.01 4.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 64.13 109.264 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 662' ' ' PHE . . . . . 0.593 ' CZ ' ' CG ' ' A' ' 667' ' ' HIS . 34.8 t80 -78.5 121.76 25.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 73.35 110.987 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 663' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -79.19 107.03 11.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 72.54 109.29 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 664' ' ' PHE . . . . . 0.564 ' CZ ' ' HG2' ' A' ' 626' ' ' LYS . 13.3 t80 -74.54 -22.73 58.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 72.54 110.987 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 21.9 mt -76.18 -47.46 24.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 70.4 109.334 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 12.2 tp60 -70.24 -56.96 5.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 44.42 110.309 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 667' ' ' HIS . . . . . 0.651 ' CE1' HG11 ' A' ' 580' ' ' VAL . 6.4 t-80 -50.47 -48.06 56.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 73.41 109.606 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 668' ' ' CYS . . . . . 0.46 ' CB ' ' O ' ' A' ' 664' ' ' PHE . 52.4 t -63.24 -28.25 69.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 45.04 108.283 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -81.71 -11.57 58.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 62.2 109.323 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 670' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -115.76 -2.15 12.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 75.14 110.283 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 671' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 667' ' ' HIS . 3.1 m-20 -102.96 -52.37 3.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 71.35 109.274 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 672' ' ' LEU . . . . . 0.661 HD23 ' N ' ' A' ' 672' ' ' LEU . 0.8 OUTLIER -82.78 -172.45 4.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 75.53 109.311 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 1.7 m -132.94 39.03 3.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 63.12 110.004 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -61.7 -19.83 62.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 44.54 109.306 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 675' ' ' LEU . . . . . 0.679 ' H ' HD22 ' A' ' 675' ' ' LEU . 0.3 OUTLIER -71.23 -62.21 1.49 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 74.12 109.345 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 676' ' ' SER . . . . . 0.716 ' C ' HD13 ' A' ' 677' ' ' LEU . 1.5 m -169.17 174.46 6.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 61.44 110.042 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 677' ' ' LEU . . . . . 0.716 HD13 ' C ' ' A' ' 676' ' ' SER . 0.1 OUTLIER -115.53 -58.65 2.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 51.22 109.308 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 22.4 t70 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 72.32 109.292 -179.978 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 679' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 N-CA-C 111.019 -0.832 . . . . 71.31 111.019 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 143.87 29.63 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.443 1.76 . . . . 72.04 110.992 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 41.0 m-70 -126.67 16.97 7.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 74.22 109.631 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 545' ' ' MET . . . . . . . . . . . . . 37.5 mtp 51.01 37.76 18.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 72.1 111.0 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 546' ' ' GLN . . . . . 0.593 ' C ' ' CD1' ' A' ' 547' ' ' PHE . 21.3 mt-30 -118.23 159.29 23.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 75.13 110.339 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 547' ' ' PHE . . . . . 0.593 ' CD1' ' C ' ' A' ' 546' ' ' GLN . 0.2 OUTLIER -156.45 96.31 2.24 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 55.35 111.028 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 548' ' ' PRO . . . . . 0.494 ' HG2' ' CG ' ' A' ' 551' ' ' HIS . 18.5 Cg_endo -74.93 141.47 26.91 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.554 1.818 . . . . 63.21 111.06 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 549' ' ' VAL . . . . . 0.586 HG12 ' HB2' ' A' ' 657' ' ' PHE . 20.3 m -52.6 -45.8 48.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 73.15 109.281 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -55.0 -24.63 25.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 71.04 110.286 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 551' ' ' HIS . . . . . 0.494 ' CG ' ' HG2' ' A' ' 548' ' ' PRO . 23.5 m170 -96.68 -22.79 16.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 73.03 109.62 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 552' ' ' VAL . . . . . 0.801 HG11 ' CD2' ' A' ' 657' ' ' PHE . 83.4 t -89.09 109.38 20.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 53.24 109.32 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 553' ' ' GLN . . . . . 0.778 ' HB3' HD11 ' A' ' 555' ' ' LEU . 9.2 tt0 -97.04 169.88 9.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 72.22 110.281 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 554' ' ' LEU . . . . . 1.079 HD11 HD23 ' A' ' 569' ' ' LEU . 3.5 mt -110.73 106.8 16.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 65.12 109.3 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 555' ' ' LEU . . . . . 0.852 HD12 ' N ' ' A' ' 555' ' ' LEU . 0.0 OUTLIER -123.64 170.9 9.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 75.41 109.33 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 556' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' ' 559' ' ' CYS . 18.1 t -97.78 106.13 18.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.01 -0.995 . . . . 72.41 110.87 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 557' ' ' ILE . . . . . 0.975 HD13 ' O ' ' A' ' 636' ' ' ARG . 1.3 pt -37.03 -33.24 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 72.32 109.331 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 558' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 556' ' ' CYS . 7.5 m-20 -83.69 -49.05 9.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 72.24 109.314 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 559' ' ' CYS . . . . . 0.719 ' O ' HG13 ' A' ' 561' ' ' VAL . 3.8 m -123.15 70.52 1.03 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 72.42 108.285 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 560' ' ' MET . . . . . 0.617 ' HG2' HD23 ' A' ' 639' ' ' LEU . 6.4 mtm -61.66 72.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 64.33 110.97 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 561' ' ' VAL . . . . . 0.719 HG13 ' O ' ' A' ' 559' ' ' CYS . 1.0 OUTLIER -110.88 -8.67 11.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 64.22 109.294 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 562' ' ' ALA . . . . . 0.65 ' HB3' ' O ' ' A' ' 561' ' ' VAL . . . 81.85 107.46 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 45.31 109.302 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 563' ' ' VAL . . . . . 0.518 ' HA ' ' CD2' ' A' ' 587' ' ' TYR . 0.5 OUTLIER -106.13 -8.77 10.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 74.54 109.258 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -172.11 -149.79 6.87 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.462 1.101 . . . . 62.14 110.981 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 565' ' ' HIS . . . . . . . . . . . . . 20.6 m80 -143.94 146.23 32.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 0.751 . . . . 63.01 109.606 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 566' ' ' GLY . . . . . 0.498 ' O ' ' CD1' ' A' ' 569' ' ' LEU . . . -66.46 -24.39 72.32 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.462 1.101 . . . . 41.2 110.998 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 2.6 p -98.06 7.93 45.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 0.769 . . . . 64.11 109.993 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -111.79 -17.46 12.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 75.3 109.289 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 569' ' ' LEU . . . . . 1.079 HD23 HD11 ' A' ' 554' ' ' LEU . 0.1 OUTLIER -87.9 170.05 11.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 74.41 109.297 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 570' ' ' ARG . . . . . 0.473 ' CD ' ' HA ' ' A' ' 662' ' ' PHE . 41.9 mtt180 -154.78 173.37 16.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 74.43 110.267 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 571' ' ' LYS . . . . . 0.483 ' HD3' ' CE1' ' A' ' 577' ' ' HIS . 31.9 mtmt -110.75 122.3 47.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 73.43 109.277 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 572' ' ' VAL . . . . . 1.041 HG23 HG21 ' A' ' 578' ' ' VAL . 2.8 t -77.85 117.08 22.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 74.32 109.295 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 573' ' ' GLU . . . . . 0.626 ' HG2' HG12 ' A' ' 572' ' ' VAL . 9.6 pt-20 43.91 35.4 1.11 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 52.31 110.287 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 47.39 47.16 22.48 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.497 1.123 . . . . 44.54 111.001 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 1.3 m -113.51 -58.69 2.12 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.486 0.756 . . . . 72.54 110.385 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 13.8 m170 -138.54 149.14 45.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 63.2 109.617 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 577' ' ' HIS . . . . . 0.648 ' CG ' ' CE3' ' A' ' 652' ' ' TRP . 17.5 m-70 -73.98 106.87 5.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 72.12 109.617 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 578' ' ' VAL . . . . . 1.041 HG21 HG23 ' A' ' 572' ' ' VAL . 19.0 m -110.31 120.71 61.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 75.12 109.295 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 579' ' ' ASN . . . . . 0.476 ' HA ' ' CB ' ' A' ' 569' ' ' LEU . 8.9 t30 -92.04 120.34 32.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 45.54 109.316 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 580' ' ' VAL . . . . . 0.675 HG22 HD22 ' A' ' 630' ' ' LEU . 2.7 t -90.77 138.86 18.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 73.13 109.276 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 581' ' ' ASN . . . . . 0.447 ' OD1' ' N ' ' A' ' 584' ' ' PHE . 23.1 t-20 173.58 130.43 0.11 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 72.02 109.273 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 582' ' ' PRO . . . . . 0.424 ' HD2' ' ND2' ' A' ' 581' ' ' ASN . 18.3 Cg_endo -74.98 -27.54 9.97 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.52 1.8 . . . . 73.11 111.023 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 583' ' ' ASN . . . . . 0.593 ' O ' ' CD1' ' A' ' 587' ' ' TYR . 0.3 OUTLIER -78.55 -0.16 28.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 61.43 109.256 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 584' ' ' PHE . . . . . 0.535 ' O ' ' CD2' ' A' ' 588' ' ' TYR . 2.2 t80 -78.47 -29.23 46.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 71.32 110.962 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 86.4 p -61.97 -32.92 73.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 61.05 109.99 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -87.45 -8.84 56.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 73.54 109.279 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 587' ' ' TYR . . . . . 0.593 ' CD1' ' O ' ' A' ' 583' ' ' ASN . 8.8 m-30 -93.57 -11.53 31.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 63.53 111.037 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 588' ' ' TYR . . . . . 0.934 ' CD1' HG23 ' A' ' 610' ' ' ILE . 1.2 p90 -150.59 160.15 44.0 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 72.31 110.965 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 589' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -129.83 130.97 45.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.132 . . . . 74.22 109.293 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 590' ' ' VAL . . . . . 0.569 HG23 ' HE1' ' A' ' 588' ' ' TYR . 24.8 t -72.2 132.1 33.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 75.04 109.315 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 3.8 m -50.15 154.77 1.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 73.12 109.979 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 23.8 ttm180 -46.46 -46.57 18.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 74.41 110.331 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.63 152.27 81.8 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.108 . . . . 73.44 109.331 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -86.99 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.486 1.782 . . . . 74.41 111.029 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 595' ' ' VAL . . . . . 0.852 HG22 ' O ' ' A' ' 607' ' ' GLY . 83.6 t -113.98 124.56 70.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 53.03 109.323 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 596' ' ' VAL . . . . . . . . . . . . . 2.1 t -125.3 82.55 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.528 1.143 . . . . 65.21 109.278 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 597' ' ' ILE . . . . . 0.547 HD11 ' HG ' ' A' ' 621' ' ' LEU . 2.2 mm -134.3 -44.7 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 70.31 109.267 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 598' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 70.42 24.72 4.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 60.35 109.3 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 4.4 tmtt? -155.24 129.32 8.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 72.33 109.312 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 600' ' ' VAL . . . . . 0.444 HG12 ' N ' ' A' ' 601' ' ' PHE . 48.0 t -95.94 162.92 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 64.52 109.31 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 601' ' ' PHE . . . . . 0.444 ' N ' HG12 ' A' ' 600' ' ' VAL . 91.7 m-85 -143.49 135.62 26.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 75.11 111.034 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 602' ' ' LYS . . . . . 0.407 ' N ' ' HD3' ' A' ' 602' ' ' LYS . 0.0 OUTLIER -92.27 36.75 0.99 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 72.34 109.305 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -138.49 -46.36 0.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 71.22 109.269 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 604' ' ' TRP . . . . . 1.032 ' CE3' HG11 ' A' ' 572' ' ' VAL . 0.2 OUTLIER -157.27 131.51 8.39 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.026 -1.101 . . . . 74.51 108.026 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 605' ' ' LYS . . . . . . . . . . . . . 9.0 ptpt -86.1 153.79 57.24 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.095 . . . . 64.43 109.257 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 606' ' ' PRO . . . . . 0.547 ' HG2' HG11 ' A' ' 595' ' ' VAL . 18.3 Cg_endo -74.98 -162.41 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.466 1.772 . . . . 71.44 111.023 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 607' ' ' GLY . . . . . 0.852 ' O ' HG22 ' A' ' 595' ' ' VAL . . . -154.05 -99.28 0.17 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.502 1.126 . . . . 53.12 110.956 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 608' ' ' GLY . . . . . 0.475 ' HA3' HG13 ' A' ' 590' ' ' VAL . . . -149.78 143.41 10.74 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.968 -0.853 . . . . 65.22 110.968 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 41.1 t -51.84 125.34 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 0.78 . . . . 61.12 109.286 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 610' ' ' ILE . . . . . 0.934 HG23 ' CD1' ' A' ' 588' ' ' TYR . 0.6 OUTLIER -92.78 148.05 4.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 73.11 109.289 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.52 130.67 30.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 65.12 109.995 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 612' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 616' ' ' GLY . 46.3 t -59.15 109.19 0.8 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.556 1.16 . . . . 74.4 108.342 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 14.4 ttt-85 -69.76 -29.58 66.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 75.43 110.331 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 614' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -62.8 -35.55 80.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 73.12 109.286 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 615' ' ' CYS . . . . . . . . . . . . . 39.2 m -132.6 -74.77 0.5 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 74.4 108.304 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 616' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 160.71 -24.99 0.27 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.525 1.141 . . . . 73.13 111.026 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -42.23 105.55 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 0.758 . . . . 60.24 110.264 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 618' ' ' VAL . . . . . 0.424 HG13 ' O ' ' A' ' 610' ' ' ILE . 49.3 t -57.43 132.64 21.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 63.35 109.291 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 619' ' ' TRP . . . . . 0.438 ' O ' ' CD ' ' A' ' 634' ' ' LYS . 38.5 m0 -91.84 -41.5 10.6 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.036 -1.098 . . . . 73.31 108.036 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 620' ' ' GLY . . . . . . . . . . . . . . . 163.16 -114.64 0.61 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.487 1.117 . . . . 71.44 111.008 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 621' ' ' LEU . . . . . 0.737 HD22 ' C ' ' A' ' 621' ' ' LEU . 0.0 OUTLIER -149.39 154.66 39.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 0.782 . . . . 63.41 109.358 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 622' ' ' GLN . . . . . 0.553 ' N ' HD22 ' A' ' 621' ' ' LEU . 0.0 OUTLIER -82.26 135.89 35.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 71.32 110.312 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 623' ' ' MET . . . . . 0.61 ' SD ' ' CZ2' ' A' ' 604' ' ' TRP . 10.0 mtp -123.89 136.91 54.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 73.2 111.003 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 624' ' ' ILE . . . . . 0.515 HG13 ' HZ3' ' A' ' 629' ' ' LYS . 4.9 mp -103.42 154.75 5.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 75.44 109.29 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 625' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -159.63 122.19 3.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 72.0 110.985 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 626' ' ' LYS . . . . . 0.572 ' HG2' ' CZ ' ' A' ' 664' ' ' PHE . 0.0 OUTLIER 57.14 18.12 3.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.127 . . . . 65.03 109.301 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 627' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.2 p 85.12 37.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 73.21 109.97 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 628' ' ' VAL . . . . . 0.805 HG12 ' HG ' ' A' ' 630' ' ' LEU . 54.6 t -124.68 135.03 65.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 74.11 109.266 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 629' ' ' LYS . . . . . 0.515 ' HZ3' HG13 ' A' ' 624' ' ' ILE . 0.0 OUTLIER -83.98 100.76 11.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 71.11 109.284 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 630' ' ' LEU . . . . . 0.805 ' HG ' HG12 ' A' ' 628' ' ' VAL . 10.5 mt -125.44 111.41 25.89 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.429 1.081 . . . . 74.23 109.322 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 631' ' ' PRO . . . . . 0.673 ' O ' HG12 ' A' ' 578' ' ' VAL . 18.4 Cg_endo -74.99 163.19 35.85 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.493 1.786 . . . . 75.21 111.012 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 632' ' ' VAL . . . . . 0.65 ' C ' HD13 ' A' ' 633' ' ' LEU . 25.3 t -125.08 91.61 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 74.11 109.311 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 633' ' ' LEU . . . . . 0.805 ' N ' HD13 ' A' ' 633' ' ' LEU . 0.0 OUTLIER -94.37 171.26 8.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 60.14 109.295 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 634' ' ' LYS . . . . . 0.438 ' CD ' ' O ' ' A' ' 619' ' ' TRP . 2.8 mtpt -100.7 -175.3 2.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 73.12 109.299 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 635' ' ' VAL . . . . . 0.646 HG11 ' C ' ' A' ' 651' ' ' LYS . 2.2 p -102.63 -24.57 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 50.4 109.345 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 636' ' ' ARG . . . . . 0.975 ' O ' HD13 ' A' ' 557' ' ' ILE . 0.1 OUTLIER -83.13 -14.31 53.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 73.4 110.305 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 2.0 m -98.3 -12.21 21.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 62.44 110.036 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 638' ' ' MET . . . . . 0.43 ' HA ' ' O ' ' A' ' 555' ' ' LEU . 32.6 mmt -115.3 126.71 54.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 71.14 111.003 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 639' ' ' LEU . . . . . 0.823 HD21 ' HD2' ' A' ' 646' ' ' ARG . 14.7 tp -96.9 133.32 41.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 71.02 109.278 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 640' ' ' LEU . . . . . 0.521 ' N ' HD12 ' A' ' 639' ' ' LEU . 0.5 OUTLIER -95.86 107.05 19.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 75.32 109.276 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -75.19 131.94 40.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 63.01 110.31 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 642' ' ' THR . . . . . 0.913 HG21 HD12 ' A' ' 647' ' ' ILE . 7.7 p -139.9 158.81 66.77 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 54.34 110.406 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -18.4 18.88 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.524 1.802 . . . . 74.41 110.986 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 644' ' ' GLN . . . . . 0.401 ' NE2' ' CE2' ' A' ' 547' ' ' PHE . 5.1 mt-30 -91.21 -5.56 54.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 33.53 110.325 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 124.27 129.21 3.39 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.445 1.091 . . . . 31.14 111.007 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 646' ' ' ARG . . . . . 0.823 ' HD2' HD21 ' A' ' 639' ' ' LEU . 19.1 mtm180 -39.06 156.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 0.783 . . . . 74.21 110.341 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 647' ' ' ILE . . . . . 0.913 HD12 HG21 ' A' ' 642' ' ' THR . 24.5 mt -138.54 123.54 22.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.143 . . . . 53.14 109.282 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 648' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.04 109.19 13.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 72.14 110.282 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 649' ' ' ALA . . . . . . . . . . . . . . . -110.88 177.9 4.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 61.24 109.356 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 650' ' ' LYS . . . . . 0.501 ' C ' ' CG1' ' A' ' 635' ' ' VAL . 8.5 mmtp -111.88 -16.95 13.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 62.45 109.321 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 651' ' ' LYS . . . . . 0.646 ' C ' HG11 ' A' ' 635' ' ' VAL . 20.6 mmmt -126.24 143.57 51.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 64.43 109.28 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 652' ' ' TRP . . . . . 0.648 ' CE3' ' CG ' ' A' ' 577' ' ' HIS . 65.1 m95 -67.2 -11.98 58.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 65.54 108.024 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 3.6 m -66.71 -10.09 43.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 71.13 109.995 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 654' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 655' ' ' VAL . 14.3 mmt180 -101.07 -27.98 12.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 60.43 110.327 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 655' ' ' VAL . . . . . 0.797 HG13 ' CD2' ' A' ' 657' ' ' PHE . 2.3 t -40.21 117.76 1.36 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 61.01 109.279 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 656' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -40.52 0.87 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.502 1.79 . . . . 73.44 110.974 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 657' ' ' PHE . . . . . 1.035 ' CE1' HG22 ' A' ' 659' ' ' VAL . 26.4 p90 -70.48 150.95 45.64 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.103 . . . . 71.32 110.984 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -80.02 140.43 36.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 54.31 109.961 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 659' ' ' VAL . . . . . 1.035 HG22 ' CE1' ' A' ' 657' ' ' PHE . 2.0 t -121.66 95.67 47.84 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 75.02 109.262 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 660' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 148.65 35.52 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.463 1.77 . . . . 72.53 110.95 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 661' ' ' ASP . . . . . 0.418 ' HA ' ' O ' ' A' ' 571' ' ' LYS . 0.7 OUTLIER -65.11 143.85 57.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 53.02 109.299 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 662' ' ' PHE . . . . . 0.642 ' CE1' HD21 ' A' ' 630' ' ' LEU . 73.0 t80 -45.45 110.35 0.24 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 74.22 110.989 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 663' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -74.69 89.93 2.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 72.21 109.323 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 664' ' ' PHE . . . . . 0.572 ' CZ ' ' HG2' ' A' ' 626' ' ' LYS . 12.5 t80 -62.66 -27.3 69.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 75.32 110.988 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 665' ' ' LEU . . . . . 0.41 ' O ' ' HB2' ' A' ' 669' ' ' ALA . 14.4 mt -66.42 -45.37 80.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.108 . . . . 64.22 109.331 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 666' ' ' GLN . . . . . 0.414 ' O ' ' N ' ' A' ' 669' ' ' ALA . 25.2 tp60 -71.41 -56.87 5.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 62.32 110.317 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 667' ' ' HIS . . . . . 0.47 ' O ' ' ND2' ' A' ' 671' ' ' ASN . 3.3 t60 -47.97 -53.94 14.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 74.43 109.588 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 668' ' ' CYS . . . . . 0.402 ' O ' ' OD1' ' A' ' 671' ' ' ASN . 5.3 t -61.79 -26.74 68.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 72.24 108.332 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 669' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 666' ' ' GLN . . . -83.24 -11.4 57.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 51.33 109.292 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 670' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 666' ' ' GLN . 7.6 mt-10 -88.17 -17.21 31.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 74.14 110.276 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 671' ' ' ASN . . . . . 0.47 ' ND2' ' O ' ' A' ' 667' ' ' HIS . 0.7 OUTLIER -112.2 -35.95 5.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.522 1.139 . . . . 71.41 109.308 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 3.3 mt -83.37 -55.78 4.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 42.33 109.321 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 3.7 m 64.24 18.2 11.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 64.43 109.984 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -58.1 -25.75 61.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 61.3 109.297 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 675' ' ' LEU . . . . . 0.813 HD23 ' N ' ' A' ' 675' ' ' LEU . 0.8 OUTLIER -59.43 -66.67 0.47 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 75.24 109.321 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 676' ' ' SER . . . . . . . . . . . . . 11.6 m -170.22 148.46 3.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 65.22 109.983 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 677' ' ' LEU . . . . . 0.621 ' N ' HD12 ' A' ' 677' ' ' LEU . 1.6 mp -88.1 -43.99 11.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 54.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 19.0 t70 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 72.43 109.27 179.997 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 679' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.979 -0.848 . . . . 20.11 110.979 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 171.72 17.78 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.488 1.783 . . . . 73.1 111.005 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -82.86 159.09 22.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 73.34 109.623 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 545' ' ' MET . . . . . . . . . . . . . 22.6 mtp -90.51 67.14 6.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 61.42 110.987 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 546' ' ' GLN . . . . . 0.583 ' C ' ' CD1' ' A' ' 547' ' ' PHE . 8.7 mt-30 -110.32 169.89 8.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 64.51 110.332 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 547' ' ' PHE . . . . . 0.583 ' CD1' ' C ' ' A' ' 546' ' ' GLN . 69.2 m-85 -160.15 94.83 1.58 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 65.21 110.982 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 548' ' ' PRO . . . . . 0.452 ' HB2' ' CG ' ' A' ' 550' ' ' GLU . 18.1 Cg_endo -75.04 134.89 18.3 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.452 1.764 . . . . 63.24 110.98 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 549' ' ' VAL . . . . . 0.503 HG12 ' HB2' ' A' ' 657' ' ' PHE . 18.3 m -48.01 -42.04 10.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 43.45 109.284 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 550' ' ' GLU . . . . . 0.452 ' CG ' ' HB2' ' A' ' 548' ' ' PRO . 3.3 pt-20 -54.71 -35.57 63.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.087 . . . . 75.01 110.308 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 17.6 m170 -81.82 -17.6 46.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 72.2 109.578 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 552' ' ' VAL . . . . . 0.764 HG21 ' HB3' ' A' ' 657' ' ' PHE . 85.9 t -96.19 130.47 44.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 44.21 109.298 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -118.67 139.59 51.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 61.3 110.328 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 554' ' ' LEU . . . . . 1.08 HD11 HD23 ' A' ' 569' ' ' LEU . 2.3 mt -81.83 114.73 20.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 64.43 109.252 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 555' ' ' LEU . . . . . 0.567 HD23 ' HB2' ' A' ' 562' ' ' ALA . 0.2 OUTLIER -133.93 179.77 6.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 73.14 109.29 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 556' ' ' CYS . . . . . 0.543 ' O ' ' N ' ' A' ' 560' ' ' MET . 4.4 t -106.42 101.98 11.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 114.982 -1.008 . . . . 71.24 110.928 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 557' ' ' ILE . . . . . 0.59 HD13 ' O ' ' A' ' 636' ' ' ARG . 1.2 pt -34.15 -35.15 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 70.42 109.296 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 558' ' ' ASN . . . . . 0.511 ' N ' ' O ' ' A' ' 556' ' ' CYS . 3.0 m-20 -74.42 -63.42 1.24 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 71.14 109.311 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 559' ' ' CYS . . . . . 0.466 ' O ' ' HB2' ' A' ' 560' ' ' MET . 2.1 m -76.26 -68.06 0.62 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 64.5 108.276 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 560' ' ' MET . . . . . 0.543 ' N ' ' O ' ' A' ' 556' ' ' CYS . 24.7 mtm 77.11 44.48 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 72.25 110.973 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 561' ' ' VAL . . . . . 0.694 ' O ' ' HB3' ' A' ' 562' ' ' ALA . 1.0 OUTLIER -109.56 -0.14 9.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 71.34 109.322 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 562' ' ' ALA . . . . . 0.694 ' HB3' ' O ' ' A' ' 561' ' ' VAL . . . 83.62 106.72 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 70.1 109.335 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 563' ' ' VAL . . . . . 0.607 HG12 ' CD1' ' A' ' 587' ' ' TYR . 0.9 OUTLIER -104.48 -8.55 9.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 73.14 109.289 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -178.05 -163.04 28.99 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.474 1.109 . . . . 21.13 111.006 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 565' ' ' HIS . . . . . . . . . . . . . 45.0 m80 -121.76 140.84 51.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 0.749 . . . . 61.11 109.558 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . -70.81 -4.65 54.94 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.515 1.134 . . . . 74.13 111.03 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 567' ' ' SER . . . . . 0.419 ' CB ' HG23 ' A' ' 549' ' ' VAL . 42.9 p -115.92 10.79 15.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 0.771 . . . . 71.03 109.959 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -114.22 -11.95 12.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 64.13 109.324 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 569' ' ' LEU . . . . . 1.08 HD23 HD11 ' A' ' 554' ' ' LEU . 0.2 OUTLIER -87.6 158.14 18.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 61.45 109.262 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 570' ' ' ARG . . . . . 0.462 ' O ' ' CG2' ' A' ' 578' ' ' VAL . 6.3 mtp180 -156.8 137.12 12.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 74.32 110.333 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 571' ' ' LYS . . . . . 0.478 ' CD ' ' HA2' ' A' ' 574' ' ' GLY . 11.3 ptpt -78.11 158.78 28.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 63.02 109.312 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 572' ' ' VAL . . . . . 0.804 HG12 ' HG2' ' A' ' 573' ' ' GLU . 3.0 t -97.48 132.55 41.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 71.04 109.305 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 573' ' ' GLU . . . . . 0.804 ' HG2' HG12 ' A' ' 572' ' ' VAL . 16.2 pt-20 37.63 43.83 0.48 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 75.31 110.301 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 574' ' ' GLY . . . . . 0.478 ' HA2' ' CD ' ' A' ' 571' ' ' LYS . . . 42.3 54.03 4.76 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.492 1.12 . . . . 62.54 111.007 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 575' ' ' THR . . . . . 0.529 HG22 ' N ' ' A' ' 576' ' ' HIS . 1.1 m -133.75 -78.68 0.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 0.749 . . . . 74.25 110.421 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 576' ' ' HIS . . . . . 0.529 ' N ' HG22 ' A' ' 575' ' ' THR . 0.2 OUTLIER -101.02 151.69 21.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 54.24 109.581 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 577' ' ' HIS . . . . . 0.716 ' CE1' ' CB ' ' A' ' 652' ' ' TRP . 28.7 m80 -89.39 130.23 35.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 73.02 109.606 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 578' ' ' VAL . . . . . 0.751 HG21 HG23 ' A' ' 572' ' ' VAL . 19.5 m -137.91 112.16 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 75.14 109.291 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 579' ' ' ASN . . . . . 0.645 ' ND2' ' CE1' ' A' ' 584' ' ' PHE . 8.8 t30 -80.7 110.2 15.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 74.55 109.272 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 580' ' ' VAL . . . . . 0.927 HG22 HD22 ' A' ' 630' ' ' LEU . 2.4 t -85.7 138.25 19.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 54.45 109.299 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 581' ' ' ASN . . . . . 0.472 ' CB ' ' HB2' ' A' ' 584' ' ' PHE . 1.2 m120 178.82 130.34 0.22 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 75.11 109.336 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 582' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -35.0 3.36 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.45 1.763 . . . . 74.04 110.988 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 583' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -78.54 -1.68 35.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 72.34 109.351 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 584' ' ' PHE . . . . . 0.645 ' CE1' ' ND2' ' A' ' 579' ' ' ASN . 2.1 t80 -71.47 -31.87 67.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 72.31 111.045 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 585' ' ' SER . . . . . 0.513 ' HA ' ' CE2' ' A' ' 588' ' ' TYR . 13.2 t -59.12 -23.8 62.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 75.11 109.99 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -87.35 -15.76 37.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.153 . . . . 73.21 109.296 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 587' ' ' TYR . . . . . 0.607 ' CD1' HG12 ' A' ' 563' ' ' VAL . 5.0 m-85 -94.32 4.14 54.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 71.32 111.0 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 588' ' ' TYR . . . . . 0.662 ' HE1' HG23 ' A' ' 590' ' ' VAL . 2.5 p90 -163.75 164.91 23.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 74.41 111.003 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 589' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -133.13 119.04 19.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 74.43 109.264 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 590' ' ' VAL . . . . . 0.662 HG23 ' HE1' ' A' ' 588' ' ' TYR . 8.9 t -72.67 153.86 7.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 74.34 109.294 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 591' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 592' ' ' ARG . 99.1 p -66.45 143.95 56.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 75.52 110.022 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 592' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 591' ' ' SER . 0.8 OUTLIER -36.93 -81.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 75.12 110.285 -179.923 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 593' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 592' ' ' ARG . 3.0 m-20 -39.77 150.57 0.25 Allowed Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 72.53 109.296 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -89.56 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.499 1.789 . . . . 75.34 110.981 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 595' ' ' VAL . . . . . 0.596 HG22 ' O ' ' A' ' 606' ' ' PRO . 72.2 t -103.87 128.87 56.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 74.45 109.273 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 596' ' ' VAL . . . . . . . . . . . . . 2.2 t -136.81 80.39 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 74.53 109.238 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 597' ' ' ILE . . . . . 0.582 HD12 ' HB3' ' A' ' 606' ' ' PRO . 4.2 mt -142.84 152.44 17.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 64.02 109.276 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 598' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -67.78 -57.47 6.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 73.35 109.278 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 599' ' ' LYS . . . . . 0.553 ' O ' HG22 ' A' ' 597' ' ' ILE . 0.0 OUTLIER -103.11 -176.14 3.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.115 . . . . 71.11 109.298 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 600' ' ' VAL . . . . . 0.403 ' N ' ' HG2' ' A' ' 599' ' ' LYS . 78.9 t -139.44 155.32 25.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 70.3 109.309 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 601' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -102.22 168.13 9.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 71.41 111.042 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 602' ' ' LYS . . . . . 0.43 ' C ' ' N ' ' A' ' 604' ' ' TRP . 0.1 OUTLIER -107.07 -61.39 1.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 55.13 109.292 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -43.15 -27.87 0.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 53.34 109.278 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 604' ' ' TRP . . . . . 0.608 ' CZ2' ' SD ' ' A' ' 623' ' ' MET . 0.3 OUTLIER -157.53 179.57 9.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 72.55 107.956 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 605' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.06 154.67 58.22 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 72.42 109.314 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 606' ' ' PRO . . . . . 0.596 ' O ' HG22 ' A' ' 595' ' ' VAL . 18.3 Cg_endo -74.95 137.91 22.47 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.515 1.797 . . . . 74.44 110.969 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 607' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 622' ' ' GLN . . . -102.57 -123.07 5.19 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.517 1.136 . . . . 45.41 111.005 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 608' ' ' GLY . . . . . 0.402 ' O ' ' N ' ' A' ' 622' ' ' GLN . . . -143.48 155.74 26.23 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.992 -0.843 . . . . 52.32 110.992 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 609' ' ' VAL . . . . . 0.407 ' HA ' ' O ' ' A' ' 620' ' ' GLY . 19.2 t -53.77 135.6 15.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 0.747 . . . . 75.21 109.315 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 610' ' ' ILE . . . . . 0.514 HG23 ' CD1' ' A' ' 588' ' ' TYR . 0.8 OUTLIER -111.64 147.99 15.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 73.01 109.332 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 42.1 t -144.58 132.45 21.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 71.31 110.005 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 612' ' ' CYS . . . . . 0.407 ' O ' ' N ' ' A' ' 616' ' ' GLY . 14.6 t -58.51 115.24 2.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 72.0 108.326 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 9.0 ttt-85 -65.49 -31.88 73.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 62.24 110.29 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 614' ' ' ASN . . . . . 0.424 ' ND2' HG21 ' A' ' 561' ' ' VAL . 3.4 m120 -58.93 -46.73 87.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 71.3 109.348 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 615' ' ' CYS . . . . . 0.443 ' SG ' ' N ' ' A' ' 559' ' ' CYS . 0.0 OUTLIER -118.62 -76.46 0.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 51.1 108.276 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 616' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 142.27 44.7 0.05 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.513 1.133 . . . . 35.31 110.971 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -97.02 102.53 14.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 0.771 . . . . 64.14 110.295 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 54.4 t -49.31 97.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 72.11 109.291 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 619' ' ' TRP . . . . . 0.76 ' CE2' ' HE3' ' A' ' 638' ' ' MET . 43.3 m0 -63.72 -47.1 82.44 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.958 -1.127 . . . . 73.44 107.958 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 620' ' ' GLY . . . . . 0.407 ' O ' ' HA ' ' A' ' 609' ' ' VAL . . . 169.22 -100.22 0.16 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.532 1.145 . . . . 65.23 111.002 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 621' ' ' LEU . . . . . 0.759 ' C ' HD23 ' A' ' 621' ' ' LEU . 0.0 OUTLIER -158.83 169.06 25.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 0.755 . . . . 52.2 109.284 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 622' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 607' ' ' GLY . 0.2 OUTLIER -96.11 161.55 13.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 75.45 110.278 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 623' ' ' MET . . . . . 0.608 ' SD ' ' CZ2' ' A' ' 604' ' ' TRP . 11.6 mtp -148.5 122.23 9.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 75.14 111.031 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 624' ' ' ILE . . . . . . . . . . . . . 4.8 mp -97.97 144.39 11.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 75.31 109.302 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 625' ' ' TYR . . . . . 0.441 ' CD1' ' HG2' ' A' ' 626' ' ' LYS . 15.4 t80 -150.83 108.95 3.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 75.12 110.951 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 626' ' ' LYS . . . . . 0.495 ' O ' ' CB ' ' A' ' 627' ' ' SER . 0.0 OUTLIER 67.74 20.34 9.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 71.1 109.314 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 627' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.3 p 85.6 39.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 65.23 110.036 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 628' ' ' VAL . . . . . 0.781 HG12 ' HG ' ' A' ' 630' ' ' LEU . 51.4 t -129.43 109.91 19.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 64.4 109.295 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 2.7 mmmm -68.84 99.62 1.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 70.15 109.346 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 630' ' ' LEU . . . . . 0.927 HD22 HG22 ' A' ' 580' ' ' VAL . 55.8 mt -117.68 111.62 39.4 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 75.02 109.266 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 631' ' ' PRO . . . . . 0.599 ' O ' HG12 ' A' ' 578' ' ' VAL . 18.4 Cg_endo -75.0 164.78 32.67 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.5 1.79 . . . . 74.42 111.001 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 632' ' ' VAL . . . . . 0.75 HG22 HG12 ' A' ' 578' ' ' VAL . 24.5 t -129.81 92.11 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 62.32 109.254 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 633' ' ' LEU . . . . . 0.837 ' N ' HD13 ' A' ' 633' ' ' LEU . 0.0 OUTLIER -95.49 171.47 8.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 72.54 109.31 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 7.9 mtmm -99.77 -169.86 1.81 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 73.44 109.329 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 635' ' ' VAL . . . . . 0.562 HG22 ' O ' ' A' ' 649' ' ' ALA . 1.3 p -107.99 -20.66 6.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 64.13 109.314 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 636' ' ' ARG . . . . . 0.59 ' O ' HD13 ' A' ' 557' ' ' ILE . 9.1 ptp180 -92.72 2.06 56.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 71.43 110.322 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 3.2 p -111.56 -20.04 12.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 73.5 109.974 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 638' ' ' MET . . . . . 0.76 ' HE3' ' CE2' ' A' ' 619' ' ' TRP . 35.1 mmt -105.67 146.89 29.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 53.12 111.006 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 639' ' ' LEU . . . . . 0.799 HD21 ' HD2' ' A' ' 646' ' ' ARG . 18.9 tp -107.24 153.26 22.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 72.04 109.276 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 640' ' ' LEU . . . . . 0.624 ' HB3' HG13 ' A' ' 552' ' ' VAL . 6.1 mt -121.22 99.68 6.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 74.05 109.283 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -73.74 120.63 19.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 72.15 110.272 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 642' ' ' THR . . . . . 0.865 HG21 HD12 ' A' ' 647' ' ' ILE . 0.1 OUTLIER -130.56 160.09 67.81 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 74.02 110.412 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 1.06 8.14 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.467 1.772 . . . . 63.13 111.037 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -112.11 -1.56 15.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 75.11 110.295 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 118.91 141.83 6.68 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.487 1.117 . . . . 75.5 111.016 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 646' ' ' ARG . . . . . 0.799 ' HD2' HD21 ' A' ' 639' ' ' LEU . 22.8 mtm-85 -49.71 150.97 1.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 0.748 . . . . 74.51 110.308 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 647' ' ' ILE . . . . . 0.865 HD12 HG21 ' A' ' 642' ' ' THR . 36.0 mt -137.36 129.78 42.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 71.34 109.298 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 648' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -125.81 110.7 14.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 72.32 110.297 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 649' ' ' ALA . . . . . 0.562 ' O ' HG22 ' A' ' 635' ' ' VAL . . . -110.65 166.77 10.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 64.14 109.33 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 650' ' ' LYS . . . . . 0.43 ' C ' HG13 ' A' ' 635' ' ' VAL . 24.9 mttp -115.01 -0.37 13.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 75.12 109.296 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 651' ' ' LYS . . . . . 0.403 ' CA ' HG11 ' A' ' 635' ' ' VAL . 16.7 mtpt -137.99 128.73 26.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 72.51 109.337 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 652' ' ' TRP . . . . . 0.716 ' CB ' ' CE1' ' A' ' 577' ' ' HIS . 64.3 m95 -64.41 -24.27 67.57 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.975 -1.121 . . . . 75.5 107.975 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 74.6 m -64.61 -15.32 60.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 73.22 110.003 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 654' ' ' ARG . . . . . . . . . . . . . 5.8 mmt180 -103.75 -25.83 12.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 63.03 110.322 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 655' ' ' VAL . . . . . 0.68 HG13 ' CD2' ' A' ' 657' ' ' PHE . 2.1 t -42.02 134.81 2.36 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 61.04 109.301 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 656' ' ' PRO . . . . . 0.542 ' HD2' HD13 ' A' ' 640' ' ' LEU . 18.3 Cg_endo -74.99 -56.3 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.487 1.783 . . . . 74.3 110.984 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 657' ' ' PHE . . . . . 0.904 ' CE1' HG22 ' A' ' 659' ' ' VAL . 19.2 p90 -59.86 149.1 32.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.144 . . . . 71.14 110.928 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 658' ' ' SER . . . . . 0.403 ' O ' HG11 ' A' ' 549' ' ' VAL . 36.5 m -84.37 146.78 27.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 70.41 109.989 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 659' ' ' VAL . . . . . 0.904 HG22 ' CE1' ' A' ' 657' ' ' PHE . 1.5 t -123.58 103.56 34.69 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 63.42 109.339 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 660' ' ' PRO . . . . . 0.407 ' O ' ' HA ' ' A' ' 570' ' ' ARG . 18.4 Cg_endo -75.02 150.98 38.87 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.49 1.784 . . . . 73.42 111.026 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 661' ' ' ASP . . . . . 0.402 ' HA ' ' O ' ' A' ' 571' ' ' LYS . 5.2 p30 -77.5 164.53 25.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 51.21 109.28 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 662' ' ' PHE . . . . . 0.727 ' CE2' ' CD2' ' A' ' 667' ' ' HIS . 39.9 t80 -84.02 105.46 14.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 74.23 111.031 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 663' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -83.48 121.51 27.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 65.01 109.289 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 664' ' ' PHE . . . . . 0.435 ' O ' ' CB ' ' A' ' 668' ' ' CYS . 37.5 t80 -71.21 -30.46 66.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 73.13 111.014 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 665' ' ' LEU . . . . . 0.455 ' N ' HD23 ' A' ' 665' ' ' LEU . 6.2 mt -68.64 -42.24 78.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 74.11 109.287 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -72.38 -62.42 1.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 60.21 110.305 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 667' ' ' HIS . . . . . 0.727 ' CD2' ' CE2' ' A' ' 662' ' ' PHE . 14.0 t-80 -46.79 -46.18 20.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 53.33 109.597 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 668' ' ' CYS . . . . . 0.435 ' CB ' ' O ' ' A' ' 664' ' ' PHE . 43.7 t -61.39 -40.78 95.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 74.04 108.286 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -71.1 -11.37 60.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 73.41 109.253 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 670' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -109.1 -4.31 16.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 71.23 110.278 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -108.7 -28.2 9.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 73.02 109.278 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 3.4 mt -96.2 -55.84 2.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 74.21 109.343 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 3.6 m 64.21 15.62 9.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 72.32 109.968 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -57.39 -25.28 59.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 61.43 109.291 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 675' ' ' LEU . . . . . 0.817 HD23 ' N ' ' A' ' 675' ' ' LEU . 0.8 OUTLIER -58.98 -66.7 0.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 75.22 109.327 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 676' ' ' SER . . . . . 0.706 ' C ' HD13 ' A' ' 677' ' ' LEU . 13.4 m -170.52 169.52 7.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 75.34 109.965 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 677' ' ' LEU . . . . . 0.706 HD13 ' C ' ' A' ' 676' ' ' SER . 0.1 OUTLIER -115.67 -49.15 2.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 51.52 109.279 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 9.3 t0 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 72.54 109.283 -179.993 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 679' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 546' ' ' GLN . . . . . 0.604 ' C ' ' CD1' ' A' ' 547' ' ' PHE . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.285 -0.265 . . . . 62.119999999999997 110.285 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 547' ' ' PHE . . . . . 0.604 ' CD1' ' C ' ' A' ' 546' ' ' GLN . 22.1 m-85 -152.77 104.8 2.68 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.15 . . . . 65.299999999999997 110.966 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 548' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 145.27 31.22 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.455 1.766 . . . . 75.319999999999993 110.955 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 549' ' ' VAL . . . . . 0.479 HG12 ' HB2' ' A' ' 657' ' ' PHE . 35.1 m -54.18 -44.02 62.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 61.350000000000001 109.316 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -56.36 -21.89 27.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 74.349999999999994 110.314 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 8.6 m170 -97.38 -23.43 16.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 75.109999999999999 109.603 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 552' ' ' VAL . . . . . 0.646 HG11 ' CD1' ' A' ' 657' ' ' PHE . 38.3 t -92.68 121.71 43.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 70.140000000000001 109.269 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 553' ' ' GLN . . . . . 0.498 HE21 HD21 ' A' ' 555' ' ' LEU . 15.5 tt0 -109.52 144.83 37.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 75.430000000000007 110.263 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 554' ' ' LEU . . . . . 1.017 HD11 HD23 ' A' ' 569' ' ' LEU . 0.9 OUTLIER -84.66 113.17 21.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 72.219999999999999 109.332 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 555' ' ' LEU . . . . . 0.861 HD11 ' HB2' ' A' ' 641' ' ' GLU . 0.2 OUTLIER -133.41 -179.98 5.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 75.129999999999995 109.324 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 556' ' ' CYS . . . . . 0.542 ' O ' ' N ' ' A' ' 560' ' ' MET . 5.6 t -107.59 103.27 12.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 114.996 -1.002 . . . . 74.010000000000005 110.875 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 557' ' ' ILE . . . . . 1.01 HD13 ' O ' ' A' ' 636' ' ' ARG . 1.6 pt -35.58 -33.86 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 72.519999999999996 109.333 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 558' ' ' ASN . . . . . 0.489 ' N ' ' O ' ' A' ' 556' ' ' CYS . 7.5 m-20 -77.75 -61.47 1.98 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 75.430000000000007 109.328 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 559' ' ' CYS . . . . . 1.146 ' CB ' ' SG ' ' A' ' 615' ' ' CYS . 3.8 m -74.85 -69.36 0.47 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 72.200000000000003 108.29 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 560' ' ' MET . . . . . 0.542 ' N ' ' O ' ' A' ' 556' ' ' CYS . 26.9 mtm 76.92 49.26 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 53.109999999999999 111.004 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 561' ' ' VAL . . . . . 0.691 ' O ' ' HB3' ' A' ' 562' ' ' ALA . 1.0 OUTLIER -116.22 -1.97 9.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 72.099999999999994 109.257 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 562' ' ' ALA . . . . . 0.793 ' CA ' HD23 ' A' ' 555' ' ' LEU . . . 83.26 104.32 0.06 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.538 1.149 . . . . 60.340000000000003 109.297 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 563' ' ' VAL . . . . . 0.664 HG12 ' CD1' ' A' ' 587' ' ' TYR . 2.2 m -101.34 -6.66 9.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 74.239999999999995 109.332 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -179.08 -156.28 16.93 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.547 1.155 . . . . 71.099999999999994 110.997 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 565' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 -129.09 143.58 50.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 52.32 109.607 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . -72.62 -2.77 56.88 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.478 1.111 . . . . 72.140000000000001 111.017 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 567' ' ' SER . . . . . 0.415 ' CB ' HG23 ' A' ' 549' ' ' VAL . 20.7 p -114.32 9.5 16.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 0.797 . . . . 70.510000000000005 110.044 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 568' ' ' ASP . . . . . 0.451 ' O ' ' NH1' ' A' ' 570' ' ' ARG . 3.1 m-20 -114.08 -10.79 12.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 73.040000000000006 109.298 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 569' ' ' LEU . . . . . 1.017 HD23 HD11 ' A' ' 554' ' ' LEU . 0.2 OUTLIER -91.75 163.42 14.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 60.0 109.315 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 570' ' ' ARG . . . . . 0.451 ' NH1' ' O ' ' A' ' 568' ' ' ASP . 0.6 OUTLIER -147.28 179.17 7.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 74.439999999999998 110.263 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 571' ' ' LYS . . . . . 0.424 ' CG ' ' HA ' ' A' ' 661' ' ' ASP . 7.9 ptpt -115.91 158.58 22.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 64.140000000000001 109.285 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 572' ' ' VAL . . . . . 0.597 HG12 ' HG2' ' A' ' 573' ' ' GLU . 2.8 t -123.14 112.37 33.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 63.32 109.311 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 573' ' ' GLU . . . . . 0.597 ' HG2' HG12 ' A' ' 572' ' ' VAL . 9.3 pt-20 41.43 35.81 0.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 64.0 110.33 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 41.86 49.42 5.15 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.534 1.146 . . . . 73.5 110.97 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 3.2 m -119.9 -40.88 2.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 0.734 . . . . 55.119999999999997 110.375 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 9.2 m80 -158.56 128.25 5.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 71.340000000000003 109.599 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 577' ' ' HIS . . . . . 1.015 ' CD2' HG11 ' A' ' 659' ' ' VAL . 2.5 m80 -72.25 140.36 48.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 73.040000000000006 109.593 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 578' ' ' VAL . . . . . 0.784 HG12 HG22 ' A' ' 632' ' ' VAL . 5.1 m -142.26 123.05 11.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 75.299999999999997 109.266 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 579' ' ' ASN . . . . . 0.469 ' HA ' ' CB ' ' A' ' 569' ' ' LEU . 1.9 t-20 -89.34 108.45 19.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 72.349999999999994 109.287 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 580' ' ' VAL . . . . . 1.018 HG22 HD22 ' A' ' 630' ' ' LEU . 3.6 t -77.77 135.72 25.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 53.219999999999999 109.279 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 581' ' ' ASN . . . . . 0.473 ' CB ' ' HB2' ' A' ' 584' ' ' PHE . 3.2 m120 179.51 129.84 0.23 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 74.200000000000003 109.304 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 582' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -35.25 3.25 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.494 1.786 . . . . 64.219999999999999 111.028 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 583' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -78.68 -1.01 32.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 62.43 109.311 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 584' ' ' PHE . . . . . 0.506 ' O ' ' CD2' ' A' ' 588' ' ' TYR . 3.6 t80 -70.97 -31.76 68.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 75.120000000000005 111.013 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 585' ' ' SER . . . . . 0.508 ' HA ' ' CE2' ' A' ' 588' ' ' TYR . 1.5 t -57.93 -23.87 55.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 54.439999999999998 110.034 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -87.53 -17.86 31.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.153 . . . . 73.299999999999997 109.341 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 587' ' ' TYR . . . . . 0.664 ' CD1' HG12 ' A' ' 563' ' ' VAL . 5.8 m-85 -93.05 3.79 55.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 74.430000000000007 111.059 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 588' ' ' TYR . . . . . 0.716 ' HE1' HG23 ' A' ' 590' ' ' VAL . 1.3 p90 -162.87 159.3 23.63 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 74.319999999999993 110.973 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 589' ' ' ASN . . . . . 0.416 ' ND2' ' HB2' ' A' ' 613' ' ' ARG . 33.1 m-80 -129.67 127.69 41.05 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.538 1.149 . . . . 74.420000000000002 109.301 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 590' ' ' VAL . . . . . 0.716 HG23 ' HE1' ' A' ' 588' ' ' TYR . 14.5 t -74.44 133.85 30.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 53.210000000000001 109.288 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 30.9 t . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 65.319999999999993 110.017 -179.976 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 604' ' ' TRP . . . . . 0.407 ' CE3' ' HB3' ' A' ' 623' ' ' MET . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 108.04 -1.096 . . . . 71.230000000000004 108.04 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 605' ' ' LYS . . . . . . . . . . . . . 11.2 pttt -114.23 156.15 44.67 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.125 . . . . 63.009999999999998 109.342 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 606' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 173.11 15.08 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.524 1.802 . . . . 62.210000000000001 111.003 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 607' ' ' GLY . . . . . 0.569 ' H ' HD23 ' A' ' 621' ' ' LEU . . . -132.37 -108.41 1.13 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.499 1.124 . . . . 70.049999999999997 110.975 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 608' ' ' GLY . . . . . 0.694 ' HA3' HG13 ' A' ' 590' ' ' VAL . . . -140.61 147.58 19.24 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.034 -0.827 . . . . 72.439999999999998 111.034 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 609' ' ' VAL . . . . . 0.404 ' HA ' ' O ' ' A' ' 620' ' ' GLY . 57.9 t -53.8 125.92 9.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.515 0.774 . . . . 72.400000000000006 109.336 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 610' ' ' ILE . . . . . 0.671 HD11 ' HA ' ' A' ' 622' ' ' GLN . 0.7 OUTLIER -95.27 146.49 6.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 75.129999999999995 109.268 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 611' ' ' SER . . . . . 0.407 ' O ' ' HA ' ' A' ' 588' ' ' TYR . 0.2 OUTLIER -148.77 121.38 8.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 63.340000000000003 110.012 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 612' ' ' CYS . . . . . 0.455 ' O ' ' N ' ' A' ' 616' ' ' GLY . 32.4 t -48.35 118.58 2.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.117 . . . . 60.109999999999999 108.289 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 613' ' ' ARG . . . . . 0.416 ' HB2' ' ND2' ' A' ' 589' ' ' ASN . 9.0 ttt180 -70.18 -26.25 63.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 74.450000000000003 110.288 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 614' ' ' ASN . . . . . 0.452 ' ND2' HG22 ' A' ' 561' ' ' VAL . 77.9 m-20 -66.01 -38.09 87.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 74.200000000000003 109.302 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 615' ' ' CYS . . . . . 1.146 ' SG ' ' CB ' ' A' ' 559' ' ' CYS . 1.1 m -124.29 -74.03 0.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 60.240000000000002 108.324 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 616' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 148.79 -18.02 1.25 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.523 1.139 . . . . 74.120000000000005 110.994 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -42.73 102.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 0.763 . . . . 64.5 110.313 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 618' ' ' VAL . . . . . 0.444 ' O ' ' NZ ' ' A' ' 634' ' ' LYS . 24.0 t -50.46 124.8 3.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.13 . . . . 75.329999999999998 109.322 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 619' ' ' TRP . . . . . 0.647 ' CE2' ' HE3' ' A' ' 638' ' ' MET . 42.8 m0 -85.19 -39.29 18.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 72.450000000000003 108.006 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 620' ' ' GLY . . . . . 0.404 ' O ' ' HA ' ' A' ' 609' ' ' VAL . . . 159.23 -102.95 0.22 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.436 1.085 . . . . 24.539999999999999 110.978 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 621' ' ' LEU . . . . . 0.747 HD22 ' C ' ' A' ' 621' ' ' LEU . 0.0 OUTLIER -157.54 154.92 29.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 0.74 . . . . 74.219999999999999 109.303 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 622' ' ' GLN . . . . . 0.671 ' HA ' HD11 ' A' ' 610' ' ' ILE . 1.4 tt0 -85.37 135.1 34.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 73.519999999999996 110.266 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 623' ' ' MET . . . . . 0.407 ' HB3' ' CE3' ' A' ' 604' ' ' TRP . 9.6 mmt -116.31 142.04 47.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 72.319999999999993 111.036 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 624' ' ' ILE . . . . . 0.466 ' N ' HD12 ' A' ' 624' ' ' ILE . 4.8 mp -114.39 143.67 23.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 64.299999999999997 109.33 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 625' ' ' TYR . . . . . 0.421 ' CD2' ' O ' ' A' ' 625' ' ' TYR . 14.6 t80 -151.51 107.67 3.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 74.040000000000006 110.991 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 626' ' ' LYS . . . . . 0.486 ' O ' ' CB ' ' A' ' 627' ' ' SER . 0.0 OUTLIER 70.19 18.92 6.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 74.519999999999996 109.296 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 627' ' ' SER . . . . . 0.486 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.2 p 85.11 40.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 62.32 110.023 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 628' ' ' VAL . . . . . 0.735 HG12 ' HG ' ' A' ' 630' ' ' LEU . 52.9 t -126.46 114.6 38.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 51.350000000000001 109.321 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 629' ' ' LYS . . . . . 0.47 ' CE ' ' OE1' ' A' ' 622' ' ' GLN . 6.1 mmmm -72.72 100.06 2.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 72.430000000000007 109.308 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 630' ' ' LEU . . . . . 1.018 HD22 HG22 ' A' ' 580' ' ' VAL . 54.8 mt -117.6 111.72 39.47 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 64.549999999999997 109.305 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 631' ' ' PRO . . . . . 0.771 ' HB2' HD11 ' A' ' 633' ' ' LEU . 18.2 Cg_endo -75.0 133.64 16.84 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.499 1.789 . . . . 72.299999999999997 110.98 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 632' ' ' VAL . . . . . 0.872 ' C ' HD13 ' A' ' 633' ' ' LEU . 38.2 t -102.22 103.72 15.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 43.549999999999997 109.303 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 633' ' ' LEU . . . . . 0.872 HD13 ' C ' ' A' ' 632' ' ' VAL . 0.0 OUTLIER -106.93 171.52 7.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 75.030000000000001 109.313 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 634' ' ' LYS . . . . . 0.444 ' NZ ' ' O ' ' A' ' 618' ' ' VAL . 11.4 mtmm -97.78 -173.75 2.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 72.120000000000005 109.302 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 635' ' ' VAL . . . . . 0.687 HG13 ' O ' ' A' ' 649' ' ' ALA . 5.6 p -106.43 -15.12 8.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 63.009999999999998 109.335 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 636' ' ' ARG . . . . . 1.01 ' O ' HD13 ' A' ' 557' ' ' ILE . 0.0 OUTLIER -91.4 -22.14 20.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 72.329999999999998 110.329 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.57 -13.68 36.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 65.420000000000002 109.995 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 638' ' ' MET . . . . . 0.647 ' HE3' ' CE2' ' A' ' 619' ' ' TRP . 33.6 mmt -108.16 147.17 31.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 72.329999999999998 110.994 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 639' ' ' LEU . . . . . 0.928 HD21 ' HD2' ' A' ' 646' ' ' ARG . 10.5 tp -112.75 140.47 47.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 73.439999999999998 109.28 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 640' ' ' LEU . . . . . 0.496 HD13 ' C ' ' A' ' 639' ' ' LEU . 0.6 OUTLIER -108.5 92.5 4.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 53.32 109.301 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . 0.861 ' HB2' HD11 ' A' ' 555' ' ' LEU . 4.3 mt-10 -73.57 117.15 14.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 74.200000000000003 110.281 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 642' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -128.41 159.84 65.48 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 64.129999999999995 110.403 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 2.48 6.57 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.512 1.796 . . . . 74.129999999999995 111.06 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 644' ' ' GLN . . . . . 0.444 ' NE2' ' O ' ' A' ' 546' ' ' GLN . 3.2 mt-30 -113.45 -6.26 13.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 74.319999999999993 110.332 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 127.4 145.57 6.21 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.523 1.139 . . . . 72.120000000000005 111.009 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 646' ' ' ARG . . . . . 0.928 ' HD2' HD21 ' A' ' 639' ' ' LEU . 57.2 mtm180 -63.41 153.3 35.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 0.777 . . . . 71.239999999999995 110.3 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 647' ' ' ILE . . . . . 0.436 HD11 ' CE2' ' A' ' 547' ' ' PHE . 15.8 mt -138.43 136.12 44.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 75.420000000000002 109.313 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 648' ' ' GLN . . . . . 0.402 ' C ' ' OE1' ' A' ' 648' ' ' GLN . 1.0 OUTLIER -133.13 109.13 9.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 75.230000000000004 110.284 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 649' ' ' ALA . . . . . 0.687 ' O ' HG13 ' A' ' 635' ' ' VAL . . . -107.93 164.82 11.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 44.140000000000001 109.272 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 650' ' ' LYS . . . . . 0.49 ' C ' ' CG1' ' A' ' 635' ' ' VAL . 56.4 mttt -109.39 -3.14 17.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 72.310000000000002 109.289 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 651' ' ' LYS . . . . . 0.686 ' N ' HG11 ' A' ' 635' ' ' VAL . 7.2 mmmt -142.75 131.94 23.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 62.009999999999998 109.276 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 652' ' ' TRP . . . . . 0.774 ' CE3' ' CD2' ' A' ' 577' ' ' HIS . 67.7 m95 -62.66 -15.55 52.68 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.995 -1.113 . . . . 72.049999999999997 107.995 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 36.7 t -67.17 -9.38 39.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 65.329999999999998 109.957 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 654' ' ' ARG . . . . . 0.408 ' O ' ' C ' ' A' ' 655' ' ' VAL . 7.0 mmt180 -114.2 -14.14 12.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.547 1.154 . . . . 73.439999999999998 110.357 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 655' ' ' VAL . . . . . 0.753 HG23 ' HA ' ' A' ' 652' ' ' TRP . 2.3 t -39.94 128.83 1.58 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 75.129999999999995 109.296 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 656' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 655' ' ' VAL . 18.2 Cg_endo -74.97 -51.85 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.482 1.78 . . . . 64.439999999999998 110.992 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 657' ' ' PHE . . . . . 0.769 ' CE2' HG22 ' A' ' 659' ' ' VAL . 54.9 p90 -67.26 164.61 17.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 75.010000000000005 110.967 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 1.1 m -88.55 147.36 24.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 75.349999999999994 110.038 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 659' ' ' VAL . . . . . 1.015 HG11 ' CD2' ' A' ' 577' ' ' HIS . 2.8 t -132.87 96.87 17.55 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 74.299999999999997 109.288 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 660' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 151.01 39.14 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.454 1.765 . . . . 74.420000000000002 111.003 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 661' ' ' ASP . . . . . 0.424 ' HA ' ' CG ' ' A' ' 571' ' ' LYS . 1.1 p30 -68.27 155.45 39.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 71.400000000000006 109.274 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 662' ' ' PHE . . . . . 0.436 ' CE1' HG11 ' A' ' 628' ' ' VAL . 76.9 t80 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 75.439999999999998 110.982 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 546' ' ' GLN . . . . . 0.599 ' C ' ' CD1' ' A' ' 547' ' ' PHE . 24.1 mt-30 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.315 -0.254 . . . . 74.329999999999998 110.315 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 547' ' ' PHE . . . . . 0.599 ' CD1' ' C ' ' A' ' 546' ' ' GLN . 0.1 OUTLIER -155.58 102.9 2.17 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 73.319999999999993 110.972 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 548' ' ' PRO . . . . . 0.448 ' HB2' ' CG ' ' A' ' 550' ' ' GLU . 18.3 Cg_endo -74.97 137.27 21.57 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.498 1.788 . . . . 52.030000000000001 110.969 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 549' ' ' VAL . . . . . 0.559 HG12 ' HB2' ' A' ' 657' ' ' PHE . 21.3 m -48.86 -40.49 12.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 72.439999999999998 109.303 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 550' ' ' GLU . . . . . 0.448 ' CG ' ' HB2' ' A' ' 548' ' ' PRO . 3.0 pt-20 -57.02 -34.82 68.56 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.481 1.113 . . . . 63.539999999999999 110.306 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 11.2 m170 -84.26 -14.8 48.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 73.329999999999998 109.584 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 552' ' ' VAL . . . . . 0.835 HG21 ' HB3' ' A' ' 657' ' ' PHE . 58.4 t -95.43 126.24 47.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 54.530000000000001 109.284 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -114.98 143.95 44.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.085 . . . . 74.5 110.277 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 554' ' ' LEU . . . . . 0.958 HD11 HD23 ' A' ' 569' ' ' LEU . 1.0 OUTLIER -85.17 115.77 23.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 52.43 109.318 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 555' ' ' LEU . . . . . 0.537 HD23 ' CA ' ' A' ' 562' ' ' ALA . 0.2 OUTLIER -134.65 -179.54 5.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.135 . . . . 52.43 109.308 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 556' ' ' CYS . . . . . 0.523 ' O ' ' N ' ' A' ' 558' ' ' ASN . 3.8 t -110.18 100.78 9.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.01 -0.995 . . . . 73.519999999999996 110.886 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 557' ' ' ILE . . . . . 0.692 HD13 ' O ' ' A' ' 636' ' ' ARG . 1.1 pt -32.21 -37.54 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 51.420000000000002 109.253 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 558' ' ' ASN . . . . . 0.523 ' N ' ' O ' ' A' ' 556' ' ' CYS . 3.3 m120 -73.74 -64.4 1.01 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 60.420000000000002 109.303 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 559' ' ' CYS . . . . . 1.116 ' CB ' ' SG ' ' A' ' 615' ' ' CYS . 9.9 m -73.8 -70.35 0.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 70.299999999999997 108.286 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 560' ' ' MET . . . . . 0.52 ' N ' ' O ' ' A' ' 556' ' ' CYS . 26.9 mtm 78.17 43.92 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 73.230000000000004 111.038 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 561' ' ' VAL . . . . . 0.635 HG22 ' ND2' ' A' ' 614' ' ' ASN . 0.9 OUTLIER -113.06 15.62 8.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.168 . . . . 74.150000000000006 109.3 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 562' ' ' ALA . . . . . 0.537 ' CA ' HD23 ' A' ' 555' ' ' LEU . . . 65.91 108.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 64.450000000000003 109.316 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 563' ' ' VAL . . . . . 0.683 HG12 ' CD1' ' A' ' 587' ' ' TYR . 1.4 m -107.83 -6.14 10.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.471 1.107 . . . . 73.5 109.315 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -178.4 -159.31 22.72 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.528 1.142 . . . . 70.140000000000001 111.017 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 565' ' ' HIS . . . . . . . . . . . . . 68.9 m80 -127.47 144.05 51.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 0.763 . . . . 61.229999999999997 109.604 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . -70.94 -20.26 77.61 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.504 1.128 . . . . 52.450000000000003 110.972 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 19.8 t -101.54 10.78 39.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 0.771 . . . . 72.120000000000005 109.962 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -108.6 -20.93 12.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 42.109999999999999 109.277 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 569' ' ' LEU . . . . . 0.958 HD23 HD11 ' A' ' 554' ' ' LEU . 0.2 OUTLIER -83.4 166.23 18.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 71.329999999999998 109.335 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 570' ' ' ARG . . . . . 0.413 ' HA ' ' O ' ' A' ' 660' ' ' PRO . 49.9 mtt-85 -158.59 144.62 16.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 73.409999999999997 110.302 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 571' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 662' ' ' PHE . 5.0 ttpt -73.54 158.62 34.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 72.109999999999999 109.29 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 572' ' ' VAL . . . . . 0.56 HG12 ' HG2' ' A' ' 573' ' ' GLU . 2.7 t -119.11 113.7 42.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 74.409999999999997 109.267 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 573' ' ' GLU . . . . . 0.56 ' HG2' HG12 ' A' ' 572' ' ' VAL . 11.7 pt-20 46.2 30.87 1.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 71.329999999999998 110.312 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 51.78 59.4 8.67 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.528 1.142 . . . . 72.549999999999997 110.982 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 1.9 m -131.35 -71.59 0.56 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 0.798 . . . . 73.120000000000005 110.368 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -124.38 151.14 44.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 72.140000000000001 109.581 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 577' ' ' HIS . . . . . 0.663 ' CD2' ' CD2' ' A' ' 652' ' ' TRP . 48.6 m-70 -83.91 119.14 24.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.107 . . . . 75.120000000000005 109.614 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 578' ' ' VAL . . . . . 0.814 ' CG1' HG22 ' A' ' 632' ' ' VAL . 15.9 m -122.69 124.17 69.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 74.530000000000001 109.305 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 579' ' ' ASN . . . . . 0.463 ' HA ' ' CB ' ' A' ' 569' ' ' LEU . 2.7 t-20 -95.6 109.04 21.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 61.420000000000002 109.312 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 580' ' ' VAL . . . . . 0.977 HG22 HD22 ' A' ' 630' ' ' LEU . 3.3 t -78.53 137.47 21.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 44.399999999999999 109.318 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 581' ' ' ASN . . . . . 0.427 ' CB ' ' HB2' ' A' ' 584' ' ' PHE . 3.2 m120 178.81 128.72 0.22 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 71.049999999999997 109.333 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 582' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -29.09 8.7 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.479 1.778 . . . . 70.329999999999998 111.008 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 583' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -83.06 -5.1 58.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 73.310000000000002 109.329 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 584' ' ' PHE . . . . . 0.52 ' O ' ' CD2' ' A' ' 588' ' ' TYR . 2.9 t80 -66.37 -34.06 77.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 75.340000000000003 110.983 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 585' ' ' SER . . . . . 0.517 ' HA ' ' CE2' ' A' ' 588' ' ' TYR . 43.4 m -58.26 -24.97 61.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 73.239999999999995 109.977 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 19.1 m-20 -87.35 -16.31 35.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 72.030000000000001 109.266 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 587' ' ' TYR . . . . . 0.683 ' CD1' HG12 ' A' ' 563' ' ' VAL . 4.8 m-85 -93.28 -1.9 55.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 73.310000000000002 111.01 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 588' ' ' TYR . . . . . 0.703 ' HE1' HG23 ' A' ' 590' ' ' VAL . 1.7 p90 -156.33 157.21 35.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 74.310000000000002 111.01 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 589' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -126.89 121.94 33.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 60.539999999999999 109.292 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 590' ' ' VAL . . . . . 0.703 HG23 ' HE1' ' A' ' 588' ' ' TYR . 7.2 t -72.58 134.79 29.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 73.200000000000003 109.287 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 10.7 t . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 73.239999999999995 110.001 -179.982 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 604' ' ' TRP . . . . . 0.528 ' CE3' ' HB3' ' A' ' 623' ' ' MET . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 107.99 -1.115 . . . . 72.109999999999999 107.99 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 605' ' ' LYS . . . . . . . . . . . . . 13.0 pttt -108.86 156.28 39.28 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.465 1.103 . . . . 73.409999999999997 109.29 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 606' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 176.98 9.18 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.458 1.767 . . . . 64.239999999999995 111.05 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 607' ' ' GLY . . . . . 0.553 ' H ' HD23 ' A' ' 621' ' ' LEU . . . -137.34 -104.75 0.7 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.539 1.149 . . . . 44.240000000000002 111.035 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 608' ' ' GLY . . . . . . . . . . . . . . . -144.07 145.12 14.45 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.029 -0.828 . . . . 65.120000000000005 111.029 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 609' ' ' VAL . . . . . 0.407 ' HA ' ' O ' ' A' ' 620' ' ' GLY . 88.5 t -51.09 132.19 12.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 0.774 . . . . 60.310000000000002 109.265 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 610' ' ' ILE . . . . . 0.639 HD11 ' HA ' ' A' ' 622' ' ' GLN . 0.7 OUTLIER -103.04 154.9 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 72.230000000000004 109.302 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 611' ' ' SER . . . . . 0.41 ' O ' ' HA ' ' A' ' 588' ' ' TYR . 5.8 p -157.23 143.83 18.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 74.450000000000003 110.051 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 612' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 616' ' ' GLY . 16.1 t -66.34 118.59 10.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 74.340000000000003 108.309 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -72.34 -24.07 61.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 72.319999999999993 110.317 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 614' ' ' ASN . . . . . 0.635 ' ND2' HG22 ' A' ' 561' ' ' VAL . 94.1 m-20 -70.19 -32.1 69.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 73.120000000000005 109.261 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 615' ' ' CYS . . . . . 1.116 ' SG ' ' CB ' ' A' ' 559' ' ' CYS . 0.7 OUTLIER -129.8 -74.33 0.55 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 65.519999999999996 108.277 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 616' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 150.99 -19.25 0.96 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.496 1.122 . . . . 33.119999999999997 111.017 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -42.5 103.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 0.766 . . . . 73.019999999999996 110.272 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 18.1 t -49.28 138.0 4.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.49 1.119 . . . . 74.510000000000005 109.314 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 619' ' ' TRP . . . . . 0.81 ' CE2' ' HE3' ' A' ' 638' ' ' MET . 47.3 m0 -101.17 -36.77 8.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 65.519999999999996 108.028 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 620' ' ' GLY . . . . . 0.407 ' O ' ' HA ' ' A' ' 609' ' ' VAL . . . 156.0 -116.12 0.7 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.532 1.145 . . . . 74.420000000000002 111.008 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 621' ' ' LEU . . . . . 0.755 HD22 ' C ' ' A' ' 621' ' ' LEU . 0.0 OUTLIER -147.33 154.67 41.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.471 0.747 . . . . 72.109999999999999 109.341 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 622' ' ' GLN . . . . . 0.639 ' HA ' HD11 ' A' ' 610' ' ' ILE . 0.9 OUTLIER -84.63 134.6 34.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 60.340000000000003 110.335 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 623' ' ' MET . . . . . 0.528 ' HB3' ' CE3' ' A' ' 604' ' ' TRP . 6.3 mmt -116.84 141.69 47.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 53.509999999999998 110.978 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 624' ' ' ILE . . . . . 0.48 ' N ' HD12 ' A' ' 624' ' ' ILE . 4.7 mp -111.54 143.62 21.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 71.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 625' ' ' TYR . . . . . 0.457 ' C ' ' CD1' ' A' ' 625' ' ' TYR . 0.4 OUTLIER -145.45 105.56 4.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 70.409999999999997 110.99 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 626' ' ' LYS . . . . . 0.528 ' CE ' ' HA ' ' A' ' 626' ' ' LYS . 0.1 OUTLIER 63.39 28.01 15.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 61.5 109.331 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 627' ' ' SER . . . . . 0.451 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.3 p 81.33 40.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 22.420000000000002 110.003 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 628' ' ' VAL . . . . . 0.804 HG12 ' HG ' ' A' ' 630' ' ' LEU . 55.3 t -125.36 115.66 44.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 53.340000000000003 109.305 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 629' ' ' LYS . . . . . 0.48 ' O ' HD23 ' A' ' 630' ' ' LEU . 11.3 mmmt -72.64 99.84 2.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 64.209999999999994 109.271 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 630' ' ' LEU . . . . . 0.977 HD22 HG22 ' A' ' 580' ' ' VAL . 53.1 mt -121.7 111.72 32.75 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 74.409999999999997 109.293 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 631' ' ' PRO . . . . . 0.666 ' O ' HG12 ' A' ' 578' ' ' VAL . 18.3 Cg_endo -74.99 157.05 43.02 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.5 1.789 . . . . 70.5 110.99 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 632' ' ' VAL . . . . . 0.814 HG22 ' CG1' ' A' ' 578' ' ' VAL . 43.0 t -123.18 98.7 5.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 54.409999999999997 109.281 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 633' ' ' LEU . . . . . 0.844 ' N ' HD13 ' A' ' 633' ' ' LEU . 0.0 OUTLIER -100.81 171.5 7.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 73.129999999999995 109.31 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 634' ' ' LYS . . . . . 0.427 ' HE3' ' CG ' ' A' ' 636' ' ' ARG . 0.9 OUTLIER -101.41 -174.83 2.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 72.329999999999998 109.291 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 635' ' ' VAL . . . . . 0.868 HG11 ' C ' ' A' ' 651' ' ' LYS . 11.4 p -106.97 -24.12 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 71.219999999999999 109.312 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 636' ' ' ARG . . . . . 0.692 ' O ' HD13 ' A' ' 557' ' ' ILE . 13.1 ptt180 -84.17 -5.56 59.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 71.510000000000005 110.348 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 30.9 t -112.47 -16.97 12.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 74.519999999999996 110.043 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 638' ' ' MET . . . . . 0.81 ' HE3' ' CE2' ' A' ' 619' ' ' TRP . 34.0 mmt -104.92 125.41 50.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 73.340000000000003 111.017 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 639' ' ' LEU . . . . . 0.827 HD12 ' H ' ' A' ' 640' ' ' LEU . 21.8 tp -88.63 149.73 23.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 70.219999999999999 109.345 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 640' ' ' LEU . . . . . 0.827 ' H ' HD12 ' A' ' 639' ' ' LEU . 11.4 mt -120.51 103.26 9.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 62.25 109.292 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -74.19 134.48 42.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 74.420000000000002 110.26 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 642' ' ' THR . . . . . 0.9 HG21 HD12 ' A' ' 647' ' ' ILE . 7.4 p -142.07 158.87 60.8 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 63.140000000000001 110.411 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -18.01 19.01 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.488 1.783 . . . . 61.43 110.97 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -91.68 -6.16 52.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 55.109999999999999 110.307 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 123.87 131.86 3.82 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.495 1.122 . . . . 34.25 110.986 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 646' ' ' ARG . . . . . 0.697 ' HD2' HD21 ' A' ' 639' ' ' LEU . 20.6 mtm-85 -39.55 155.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 0.758 . . . . 74.200000000000003 110.292 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 647' ' ' ILE . . . . . 0.9 HD12 HG21 ' A' ' 642' ' ' THR . 21.4 mt -139.08 131.06 36.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 63.009999999999998 109.337 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 648' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -134.59 112.26 10.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 73.230000000000004 110.272 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 649' ' ' ALA . . . . . 0.464 ' CB ' ' HB2' ' A' ' 654' ' ' ARG . . . -107.65 -177.77 3.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 53.530000000000001 109.338 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 22.5 mttt -110.45 -21.09 12.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 63.5 109.259 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 651' ' ' LYS . . . . . 0.868 ' C ' HG11 ' A' ' 635' ' ' VAL . 2.1 mmmm -134.12 150.04 51.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.122 . . . . 73.049999999999997 109.323 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 652' ' ' TRP . . . . . 0.726 ' N ' HG11 ' A' ' 635' ' ' VAL . 47.2 m95 -66.13 -16.38 63.91 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.963 -1.125 . . . . 75.109999999999999 107.963 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 15.5 m -64.13 -11.88 34.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 52.140000000000001 109.989 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 654' ' ' ARG . . . . . 0.464 ' HB2' ' CB ' ' A' ' 649' ' ' ALA . 8.4 mmt180 -105.79 -26.55 11.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 62.219999999999999 110.273 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 655' ' ' VAL . . . . . 0.743 HG13 ' CD2' ' A' ' 657' ' ' PHE . 2.3 t -40.25 126.4 1.72 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 63.420000000000002 109.342 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 656' ' ' PRO . . . . . 0.568 ' HD2' HD13 ' A' ' 640' ' ' LEU . 18.2 Cg_endo -75.01 -50.87 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.494 1.787 . . . . 70.219999999999999 110.99 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 657' ' ' PHE . . . . . 0.969 ' CE1' HG22 ' A' ' 659' ' ' VAL . 17.4 p90 -62.61 149.92 42.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 74.239999999999995 110.984 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -85.27 145.25 27.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 52.130000000000003 110.005 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 659' ' ' VAL . . . . . 0.969 HG22 ' CE1' ' A' ' 657' ' ' PHE . 2.0 t -119.68 98.63 49.79 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 73.420000000000002 109.279 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 660' ' ' PRO . . . . . 0.413 ' O ' ' HA ' ' A' ' 570' ' ' ARG . 18.3 Cg_endo -75.01 147.44 33.88 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.54 1.811 . . . . 75.030000000000001 111.012 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 661' ' ' ASP . . . . . 0.405 ' HA ' ' O ' ' A' ' 571' ' ' LYS . 12.0 m-20 -63.05 162.73 11.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 75.329999999999998 109.323 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 662' ' ' PHE . . . . . 0.483 ' CZ ' HG11 ' A' ' 628' ' ' VAL . 5.0 t80 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 74.420000000000002 111.034 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 546' ' ' GLN . . . . . 0.538 ' C ' ' CD1' ' A' ' 547' ' ' PHE . 15.9 mt-30 . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.342 -0.244 . . . . 73.340000000000003 110.342 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 547' ' ' PHE . . . . . 0.637 ' N ' ' CD1' ' A' ' 547' ' ' PHE . 0.1 OUTLIER -149.33 103.33 3.31 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 53.340000000000003 111.027 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 548' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 145.64 31.73 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.442 1.759 . . . . 71.030000000000001 110.984 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 549' ' ' VAL . . . . . 0.51 HG23 ' CB ' ' A' ' 567' ' ' SER . 30.2 m -52.34 -44.05 41.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 72.519999999999996 109.281 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -53.95 -27.2 29.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 64.209999999999994 110.34 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 9.8 m170 -92.0 -22.56 19.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 63.520000000000003 109.574 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 552' ' ' VAL . . . . . 0.738 HG21 ' HB3' ' A' ' 657' ' ' PHE . 33.4 t -93.83 124.27 46.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 63.530000000000001 109.333 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 553' ' ' GLN . . . . . 0.417 HE21 HD21 ' A' ' 555' ' ' LEU . 13.7 tt0 -111.08 145.67 38.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 75.409999999999997 110.322 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 554' ' ' LEU . . . . . 0.963 HD11 HD23 ' A' ' 569' ' ' LEU . 1.3 mt -86.2 112.57 21.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 71.140000000000001 109.298 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 555' ' ' LEU . . . . . 0.867 HD11 ' HB2' ' A' ' 641' ' ' GLU . 0.2 OUTLIER -133.36 -179.85 5.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 72.340000000000003 109.295 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 556' ' ' CYS . . . . . 0.529 ' O ' ' N ' ' A' ' 560' ' ' MET . 5.9 t -107.8 104.11 13.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 114.989 -1.005 . . . . 64.329999999999998 110.9 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 557' ' ' ILE . . . . . 0.734 HD13 ' O ' ' A' ' 636' ' ' ARG . 1.4 pt -35.67 -33.92 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.132 . . . . 72.439999999999998 109.31 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 558' ' ' ASN . . . . . 0.488 ' N ' ' O ' ' A' ' 556' ' ' CYS . 7.9 m-20 -78.73 -61.05 2.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 71.319999999999993 109.298 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 559' ' ' CYS . . . . . 1.17 ' CB ' ' SG ' ' A' ' 615' ' ' CYS . 1.8 m -74.03 -70.31 0.39 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 74.400000000000006 108.324 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 560' ' ' MET . . . . . 0.529 ' N ' ' O ' ' A' ' 556' ' ' CYS . 28.4 mtm 77.31 48.35 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 70.120000000000005 111.041 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 561' ' ' VAL . . . . . 0.661 ' O ' ' HB3' ' A' ' 562' ' ' ALA . 1.0 OUTLIER -115.01 -2.71 10.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 74.319999999999993 109.279 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 562' ' ' ALA . . . . . 0.779 ' CA ' HD23 ' A' ' 555' ' ' LEU . . . 82.46 102.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 72.109999999999999 109.245 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 563' ' ' VAL . . . . . 0.628 HG12 ' CD1' ' A' ' 587' ' ' TYR . 2.3 m -99.27 -4.15 9.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 54.130000000000003 109.327 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . 177.14 -160.12 26.9 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.445 1.091 . . . . 61.109999999999999 110.991 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 565' ' ' HIS . . . . . . . . . . . . . 51.4 m-70 -124.55 144.4 50.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 0.782 . . . . 73.099999999999994 109.581 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . -73.24 -2.25 58.62 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.549 1.156 . . . . 73.540000000000006 111.026 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 567' ' ' SER . . . . . 0.51 ' CB ' HG23 ' A' ' 549' ' ' VAL . 15.2 p -115.43 10.87 15.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 0.759 . . . . 44.43 110.033 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -113.85 -12.62 12.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 62.32 109.31 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 569' ' ' LEU . . . . . 0.963 HD23 HD11 ' A' ' 554' ' ' LEU . 0.1 OUTLIER -90.8 168.07 12.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 71.409999999999997 109.319 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 570' ' ' ARG . . . . . 0.418 ' CG ' ' O ' ' A' ' 569' ' ' LEU . 66.0 mtt-85 -158.82 136.81 10.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 75.25 110.28 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 571' ' ' LYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 661' ' ' ASP . 10.8 ptpt -73.31 157.66 36.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 62.409999999999997 109.299 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 572' ' ' VAL . . . . . 0.658 HG23 ' CG2' ' A' ' 578' ' ' VAL . 2.7 t -110.72 98.84 7.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 65.120000000000005 109.295 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 573' ' ' GLU . . . . . 0.473 ' CG ' ' O ' ' A' ' 572' ' ' VAL . 9.0 pt-20 46.86 24.11 0.32 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 73.200000000000003 110.277 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 574' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' A' ' 575' ' ' THR . . . 87.82 -23.36 13.84 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.485 1.116 . . . . 74.319999999999993 111.007 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 575' ' ' THR . . . . . 0.603 HG21 ' CZ2' ' A' ' 604' ' ' TRP . 52.7 m -36.23 -76.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 0.741 . . . . 72.409999999999997 110.426 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 50.2 m80 -147.99 150.56 34.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 74.200000000000003 109.58 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 577' ' ' HIS . . . . . 1.038 ' CD2' HG11 ' A' ' 659' ' ' VAL . 6.4 m80 -71.79 116.38 12.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 74.530000000000001 109.611 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 578' ' ' VAL . . . . . 0.688 HG12 ' O ' ' A' ' 631' ' ' PRO . 26.9 m -115.92 118.49 58.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 72.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 579' ' ' ASN . . . . . 0.48 ' HA ' ' CB ' ' A' ' 569' ' ' LEU . 2.4 t-20 -90.52 119.9 31.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.581 1.176 . . . . 73.040000000000006 109.279 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 580' ' ' VAL . . . . . 0.918 HG22 HD22 ' A' ' 630' ' ' LEU . 2.7 t -95.9 130.79 44.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 54.509999999999998 109.292 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 581' ' ' ASN . . . . . . . . . . . . . 5.2 t30 176.49 141.28 0.23 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 70.010000000000005 109.312 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 582' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -46.19 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.545 1.813 . . . . 64.329999999999998 110.991 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 583' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -54.78 -19.62 6.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 71.409999999999997 109.292 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 584' ' ' PHE . . . . . 0.494 ' O ' ' CD2' ' A' ' 588' ' ' TYR . 1.8 t80 -58.99 -44.25 91.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 75.239999999999995 111.0 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 585' ' ' SER . . . . . 0.528 ' HA ' ' CE2' ' A' ' 588' ' ' TYR . 10.9 p -53.24 -25.32 13.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.454 1.097 . . . . 72.120000000000005 109.996 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -88.26 -23.32 23.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 55.140000000000001 109.307 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 587' ' ' TYR . . . . . 0.628 ' CD1' HG12 ' A' ' 563' ' ' VAL . 13.8 m-85 -88.55 6.8 36.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 75.239999999999995 110.979 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 588' ' ' TYR . . . . . 0.781 ' CD1' HG23 ' A' ' 610' ' ' ILE . 0.9 OUTLIER -165.45 158.72 16.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 73.25 110.982 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 589' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -133.11 121.01 22.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 55.43 109.276 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 590' ' ' VAL . . . . . 0.778 HG23 ' HE1' ' A' ' 588' ' ' TYR . 7.4 t -72.45 149.3 8.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 73.439999999999998 109.311 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 48.0 t . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 72.349999999999994 109.99 -179.992 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 604' ' ' TRP . . . . . 0.603 ' CZ2' HG21 ' A' ' 575' ' ' THR . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 108.021 -1.103 . . . . 74.450000000000003 108.021 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 605' ' ' LYS . . . . . 0.641 ' HE2' HD13 ' A' ' 624' ' ' ILE . 5.0 ptmt -121.08 151.91 55.99 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 74.400000000000006 109.299 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 606' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 142.5 27.92 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.468 1.773 . . . . 73.319999999999993 110.994 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 607' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 622' ' ' GLN . . . -105.74 -120.92 4.76 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.555 1.159 . . . . 70.230000000000004 111.026 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 608' ' ' GLY . . . . . 0.406 ' O ' ' HA ' ' A' ' 621' ' ' LEU . . . -139.61 151.91 22.24 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 110.972 -0.851 . . . . 64.409999999999997 110.972 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 609' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' ' 620' ' ' GLY . 50.2 t -56.33 129.72 18.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.442 0.731 . . . . 72.409999999999997 109.264 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 610' ' ' ILE . . . . . 0.781 HG23 ' CD1' ' A' ' 588' ' ' TYR . 0.8 OUTLIER -102.19 143.37 14.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 71.530000000000001 109.31 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 611' ' ' SER . . . . . 0.404 ' O ' ' HA ' ' A' ' 588' ' ' TYR . 0.7 OUTLIER -136.84 117.88 14.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 63.409999999999997 109.993 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 612' ' ' CYS . . . . . 0.455 ' O ' ' N ' ' A' ' 616' ' ' GLY . 39.7 t -49.21 118.17 2.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 61.539999999999999 108.274 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 9.2 ttt180 -67.88 -28.02 67.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 65.319999999999993 110.328 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 614' ' ' ASN . . . . . 0.452 ' ND2' HG22 ' A' ' 561' ' ' VAL . 66.7 m-20 -65.13 -39.12 92.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 63.399999999999999 109.292 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 615' ' ' CYS . . . . . 1.17 ' SG ' ' CB ' ' A' ' 559' ' ' CYS . 0.2 OUTLIER -125.35 -75.02 0.59 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 73.200000000000003 108.234 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 616' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 148.53 -18.07 1.29 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.486 1.116 . . . . 63.420000000000002 111.01 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 617' ' ' GLU . . . . . 0.436 ' OE1' ' ND2' ' A' ' 558' ' ' ASN . 9.0 tp10 -42.78 102.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 0.74 . . . . 70.140000000000001 110.276 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 57.3 t -54.25 112.28 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.54 1.15 . . . . 73.239999999999995 109.316 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 619' ' ' TRP . . . . . 0.787 ' CE2' ' HE3' ' A' ' 638' ' ' MET . 42.2 m0 -71.0 -51.03 27.86 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.964 -1.124 . . . . 75.310000000000002 107.964 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 620' ' ' GLY . . . . . 0.4 ' O ' ' HA ' ' A' ' 609' ' ' VAL . . . 176.8 -99.2 0.13 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 75.329999999999998 110.983 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 621' ' ' LEU . . . . . 0.763 ' C ' HD23 ' A' ' 621' ' ' LEU . 0.0 OUTLIER -162.07 170.33 19.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 0.775 . . . . 73.450000000000003 109.289 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 622' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 607' ' ' GLY . 0.2 OUTLIER -95.71 162.99 13.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 73.510000000000005 110.311 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 623' ' ' MET . . . . . 0.636 ' C ' HD12 ' A' ' 624' ' ' ILE . 6.9 mtp -146.95 151.49 37.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 73.140000000000001 111.007 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 624' ' ' ILE . . . . . 0.769 ' N ' HD12 ' A' ' 624' ' ' ILE . 2.7 mp -120.91 132.47 70.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 75.040000000000006 109.334 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 625' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -138.56 101.04 4.25 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.545 1.153 . . . . 75.409999999999997 111.003 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 626' ' ' LYS . . . . . 0.51 ' O ' ' CB ' ' A' ' 627' ' ' SER . 0.0 OUTLIER 68.32 22.17 8.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 71.099999999999994 109.284 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 627' ' ' SER . . . . . 0.51 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.1 p 86.02 39.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 71.209999999999994 109.998 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 628' ' ' VAL . . . . . 0.681 HG12 ' CD2' ' A' ' 630' ' ' LEU . 63.0 t -126.78 116.67 45.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 65.200000000000003 109.306 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 629' ' ' LYS . . . . . 0.428 ' O ' HD23 ' A' ' 630' ' ' LEU . 7.4 mmmm -71.72 99.68 2.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 64.120000000000005 109.329 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 630' ' ' LEU . . . . . 0.918 HD22 HG22 ' A' ' 580' ' ' VAL . 44.2 mt -120.93 111.24 34.3 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 55.240000000000002 109.308 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 631' ' ' PRO . . . . . 0.688 ' O ' HG12 ' A' ' 578' ' ' VAL . 18.2 Cg_endo -75.0 166.25 29.6 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.502 1.791 . . . . 75.439999999999998 111.008 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 632' ' ' VAL . . . . . 0.759 ' C ' HD13 ' A' ' 633' ' ' LEU . 69.7 t -128.97 93.01 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 51.219999999999999 109.278 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 633' ' ' LEU . . . . . 0.828 ' N ' HD13 ' A' ' 633' ' ' LEU . 0.0 OUTLIER -99.75 171.64 7.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 74.120000000000005 109.331 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 634' ' ' LYS . . . . . 0.418 ' C ' ' CZ2' ' A' ' 652' ' ' TRP . 6.9 mtmm -105.82 -177.39 3.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 70.549999999999997 109.302 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 635' ' ' VAL . . . . . 0.84 HG11 ' C ' ' A' ' 651' ' ' LYS . 7.9 p -103.08 -14.83 8.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 60.119999999999997 109.294 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 636' ' ' ARG . . . . . 0.734 ' O ' HD13 ' A' ' 557' ' ' ILE . 13.5 ptt180 -90.21 -5.57 56.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 72.349999999999994 110.291 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 1.4 t -112.49 -13.99 13.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 75.430000000000007 110.001 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 638' ' ' MET . . . . . 0.787 ' HE3' ' CE2' ' A' ' 619' ' ' TRP . 33.1 mmt -108.61 131.73 54.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 73.420000000000002 110.989 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 639' ' ' LEU . . . . . 0.921 HD21 ' HD2' ' A' ' 646' ' ' ARG . 13.3 tp -96.74 142.65 28.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 43.329999999999998 109.312 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 640' ' ' LEU . . . . . 0.492 HD13 ' C ' ' A' ' 639' ' ' LEU . 0.8 OUTLIER -110.27 93.44 4.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 74.519999999999996 109.325 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . 0.867 ' HB2' HD11 ' A' ' 555' ' ' LEU . 5.6 mt-10 -74.58 119.16 18.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 73.219999999999999 110.313 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 642' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -129.36 159.66 68.08 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 71.25 110.416 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 2.35 6.74 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.479 1.778 . . . . 44.109999999999999 111.008 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -110.96 -6.77 14.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 74.109999999999999 110.311 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 126.26 139.38 5.06 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.523 1.139 . . . . 72.310000000000002 110.974 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 646' ' ' ARG . . . . . 0.921 ' HD2' HD21 ' A' ' 639' ' ' LEU . 15.4 mtm105 -56.3 151.65 12.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 0.739 . . . . 74.239999999999995 110.288 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 647' ' ' ILE . . . . . . . . . . . . . 18.7 mt -138.11 128.14 35.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 63.119999999999997 109.324 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 648' ' ' GLN . . . . . 0.727 ' OE1' HD12 ' A' ' 557' ' ' ILE . 0.1 OUTLIER -121.13 95.44 4.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 54.009999999999998 110.271 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 649' ' ' ALA . . . . . . . . . . . . . . . -92.95 160.73 14.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 62.340000000000003 109.321 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 650' ' ' LYS . . . . . 0.494 ' C ' ' CG1' ' A' ' 635' ' ' VAL . 10.1 mmtp -99.67 -28.55 13.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 74.049999999999997 109.264 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 651' ' ' LYS . . . . . 0.84 ' C ' HG11 ' A' ' 635' ' ' VAL . 19.5 mmmt -125.55 144.98 50.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 74.340000000000003 109.312 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 652' ' ' TRP . . . . . 0.793 ' HA ' HG23 ' A' ' 655' ' ' VAL . 35.7 m95 -67.32 -11.89 58.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 73.049999999999997 108.0 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 3.0 m -66.42 -10.07 40.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 62.299999999999997 110.014 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 654' ' ' ARG . . . . . 0.403 ' NH1' ' HB2' ' A' ' 651' ' ' LYS . 7.8 mmt-85 -114.27 -14.38 12.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.121 . . . . 71.25 110.292 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 655' ' ' VAL . . . . . 0.793 HG23 ' HA ' ' A' ' 652' ' ' TRP . 2.4 t -40.26 125.66 1.73 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.442 1.089 . . . . 64.340000000000003 109.289 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 656' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 655' ' ' VAL . 18.5 Cg_endo -75.03 -49.71 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.466 1.771 . . . . 74.5 111.0 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 657' ' ' PHE . . . . . 0.795 ' CE2' HG22 ' A' ' 659' ' ' VAL . 50.8 p90 -68.06 160.78 28.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 73.420000000000002 110.992 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 658' ' ' SER . . . . . 0.419 ' O ' ' CG1' ' A' ' 549' ' ' VAL . 9.8 m -88.44 149.54 23.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 33.299999999999997 110.04 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 659' ' ' VAL . . . . . 1.038 HG11 ' CD2' ' A' ' 577' ' ' HIS . 2.1 t -135.98 96.85 12.71 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 65.439999999999998 109.274 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 660' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 147.48 34.11 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.45 1.763 . . . . 72.120000000000005 111.013 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 661' ' ' ASP . . . . . 0.401 ' HA ' ' O ' ' A' ' 571' ' ' LYS . 19.6 p-10 -56.95 151.29 15.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 71.109999999999999 109.249 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 662' ' ' PHE . . . . . 0.667 ' CZ ' HG11 ' A' ' 628' ' ' VAL . 51.4 t80 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 75.510000000000005 111.006 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 546' ' ' GLN . . . . . 0.522 ' C ' ' CD1' ' A' ' 547' ' ' PHE . 19.4 mt-30 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.349 -0.241 . . . . 62.240000000000002 110.349 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 547' ' ' PHE . . . . . 0.624 ' N ' ' CD1' ' A' ' 547' ' ' PHE . 0.1 OUTLIER -149.32 102.47 3.31 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 73.439999999999998 111.007 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 548' ' ' PRO . . . . . 0.439 ' HB2' ' CG ' ' A' ' 550' ' ' GLU . 18.3 Cg_endo -74.98 137.63 22.0 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.505 1.792 . . . . 53.0 110.996 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 549' ' ' VAL . . . . . 0.485 HG23 ' CB ' ' A' ' 567' ' ' SER . 35.6 m -48.46 -40.31 10.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 60.329999999999998 109.267 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 550' ' ' GLU . . . . . 0.439 ' CG ' ' HB2' ' A' ' 548' ' ' PRO . 2.1 pt-20 -57.53 -35.04 69.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 73.540000000000006 110.304 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 10.4 m170 -82.69 -16.71 47.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 74.430000000000007 109.609 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 552' ' ' VAL . . . . . 0.838 HG21 ' HB3' ' A' ' 657' ' ' PHE . 77.5 t -94.49 128.11 45.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 73.099999999999994 109.321 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 553' ' ' GLN . . . . . 0.483 ' O ' HD12 ' A' ' 555' ' ' LEU . 10.3 tt0 -117.65 142.43 47.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 73.400000000000006 110.315 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 554' ' ' LEU . . . . . 1.017 HD11 HD23 ' A' ' 569' ' ' LEU . 1.2 mt -83.89 114.05 21.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 62.32 109.288 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 555' ' ' LEU . . . . . 0.554 HD23 ' HB2' ' A' ' 562' ' ' ALA . 0.2 OUTLIER -135.89 177.06 8.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 74.420000000000002 109.286 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 556' ' ' CYS . . . . . 0.52 ' O ' ' N ' ' A' ' 560' ' ' MET . 5.8 t -101.88 105.1 15.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.002 -0.999 . . . . 44.100000000000001 110.912 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 557' ' ' ILE . . . . . 0.535 HD13 ' O ' ' A' ' 636' ' ' ARG . 0.8 OUTLIER -34.4 -35.62 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 75.400000000000006 109.296 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 558' ' ' ASN . . . . . 0.488 ' N ' ' O ' ' A' ' 556' ' ' CYS . 8.0 m-20 -79.45 -61.67 1.93 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 74.400000000000006 109.321 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 559' ' ' CYS . . . . . 1.053 ' CB ' ' SG ' ' A' ' 615' ' ' CYS . 1.9 m -71.01 -71.61 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.093 . . . . 62.0 108.323 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 560' ' ' MET . . . . . 0.52 ' N ' ' O ' ' A' ' 556' ' ' CYS . 30.8 mtm 77.36 42.15 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 70.219999999999999 110.997 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 561' ' ' VAL . . . . . 0.674 ' O ' ' HB3' ' A' ' 562' ' ' ALA . 1.0 OUTLIER -107.14 -3.68 10.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.559 1.162 . . . . 62.009999999999998 109.329 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 562' ' ' ALA . . . . . 0.674 ' HB3' ' O ' ' A' ' 561' ' ' VAL . . . 84.09 100.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 50.299999999999997 109.255 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 563' ' ' VAL . . . . . 0.582 HG12 ' CD1' ' A' ' 587' ' ' TYR . 2.0 m -99.02 -4.86 9.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 71.409999999999997 109.305 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . 179.91 -161.0 26.45 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.467 1.104 . . . . 61.329999999999998 111.012 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 565' ' ' HIS . . . . . 0.43 ' NE2' ' OE1' ' A' ' 553' ' ' GLN . 49.9 m80 -125.76 145.43 50.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 0.77 . . . . 74.310000000000002 109.636 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 566' ' ' GLY . . . . . 0.572 ' O ' HD11 ' A' ' 569' ' ' LEU . . . -73.62 -14.95 79.41 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.484 1.115 . . . . 64.200000000000003 111.002 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 567' ' ' SER . . . . . 0.485 ' CB ' HG23 ' A' ' 549' ' ' VAL . 18.5 p -105.01 8.39 34.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 0.74 . . . . 60.219999999999999 110.017 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -109.05 -21.01 12.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 75.239999999999995 109.316 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 569' ' ' LEU . . . . . 1.017 HD23 HD11 ' A' ' 554' ' ' LEU . 0.2 OUTLIER -81.88 155.45 25.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 71.319999999999993 109.278 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 570' ' ' ARG . . . . . 0.412 ' HA ' ' O ' ' A' ' 660' ' ' PRO . 30.2 mtm180 -147.73 144.64 28.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 75.010000000000005 110.307 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 571' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 662' ' ' PHE . 19.2 ttmt -73.36 158.25 35.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 73.439999999999998 109.295 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 572' ' ' VAL . . . . . 0.559 HG12 ' HG2' ' A' ' 573' ' ' GLU . 2.8 t -122.0 112.74 36.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 74.230000000000004 109.294 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 573' ' ' GLU . . . . . 0.559 ' HG2' HG12 ' A' ' 572' ' ' VAL . 7.0 pt-20 43.74 35.0 0.94 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 71.530000000000001 110.284 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 45.38 43.97 10.5 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.522 1.139 . . . . 73.019999999999996 111.009 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 1.5 m -109.24 -48.98 3.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 0.773 . . . . 55.229999999999997 110.387 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -159.2 135.13 8.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 42.329999999999998 109.606 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 577' ' ' HIS . . . . . 0.689 ' CD2' ' CG ' ' A' ' 652' ' ' TRP . 7.8 m-70 -64.32 126.0 26.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 73.439999999999998 109.611 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 578' ' ' VAL . . . . . 0.492 ' CG1' HG22 ' A' ' 632' ' ' VAL . 30.9 m -130.0 126.61 62.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 71.239999999999995 109.352 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 579' ' ' ASN . . . . . 0.466 ' HA ' ' CB ' ' A' ' 569' ' ' LEU . 1.9 t-20 -92.53 121.24 33.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 74.200000000000003 109.306 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 580' ' ' VAL . . . . . 0.777 HG22 HD22 ' A' ' 630' ' ' LEU . 3.8 t -95.11 138.37 21.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 74.510000000000005 109.255 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 581' ' ' ASN . . . . . 0.76 HD21 ' ND2' ' A' ' 583' ' ' ASN . 23.6 t-20 173.35 130.74 0.1 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 74.430000000000007 109.307 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 582' ' ' PRO . . . . . 0.418 ' HD2' ' ND2' ' A' ' 581' ' ' ASN . 18.4 Cg_endo -74.96 -24.95 12.41 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.494 1.786 . . . . 45.420000000000002 111.066 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 583' ' ' ASN . . . . . 0.76 ' ND2' HD21 ' A' ' 581' ' ' ASN . 0.2 OUTLIER -80.9 -1.51 43.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 75.230000000000004 109.275 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 584' ' ' PHE . . . . . 0.482 ' O ' ' CD2' ' A' ' 588' ' ' TYR . 2.7 t80 -75.99 -31.16 58.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 73.340000000000003 110.991 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 6.3 m -58.59 -27.02 64.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 51.020000000000003 109.981 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -87.16 -14.07 42.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 74.420000000000002 109.295 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 587' ' ' TYR . . . . . 0.582 ' CD1' HG12 ' A' ' 563' ' ' VAL . 3.0 m-85 -95.46 6.87 47.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 72.109999999999999 111.017 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 588' ' ' TYR . . . . . 0.839 ' CD1' HG23 ' A' ' 610' ' ' ILE . 0.9 OUTLIER -167.98 158.48 10.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 61.240000000000002 110.99 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 589' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -132.95 124.53 27.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 75.530000000000001 109.325 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 590' ' ' VAL . . . . . 0.742 HG23 ' HE1' ' A' ' 588' ' ' TYR . 39.9 t -72.87 149.86 8.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.153 . . . . 74.230000000000004 109.246 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 4.0 t . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 64.409999999999997 110.023 -180.0 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 604' ' ' TRP . . . . . 0.53 ' CE2' ' SD ' ' A' ' 623' ' ' MET . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 108.032 -1.099 . . . . 74.409999999999997 108.032 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 605' ' ' LYS . . . . . 0.622 ' NZ ' HD13 ' A' ' 624' ' ' ILE . 6.0 ptmm? -112.04 154.0 44.39 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 71.329999999999998 109.284 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 606' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 140.93 26.08 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.509 1.794 . . . . 73.030000000000001 111.051 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 607' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 622' ' ' GLN . . . -99.9 -127.11 5.9 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.494 1.121 . . . . 43.299999999999997 110.996 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 608' ' ' GLY . . . . . 0.418 ' O ' ' HA ' ' A' ' 621' ' ' LEU . . . -141.13 156.46 25.6 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.989 -0.844 . . . . 70.109999999999999 110.989 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 609' ' ' VAL . . . . . 0.411 ' H ' HG23 ' A' ' 609' ' ' VAL . 12.1 t -53.97 134.34 16.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.508 0.77 . . . . 73.519999999999996 109.265 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 610' ' ' ILE . . . . . 0.839 HG23 ' CD1' ' A' ' 588' ' ' TYR . 0.8 OUTLIER -110.26 143.93 19.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 72.120000000000005 109.305 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 611' ' ' SER . . . . . 0.401 ' O ' ' HA ' ' A' ' 588' ' ' TYR . 0.8 OUTLIER -137.85 119.1 14.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 62.020000000000003 110.028 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 612' ' ' CYS . . . . . 0.451 ' O ' ' N ' ' A' ' 616' ' ' GLY . 47.6 t -47.82 119.28 2.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 72.209999999999994 108.312 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 6.9 ttt-85 -67.51 -28.15 67.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 72.140000000000001 110.295 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 614' ' ' ASN . . . . . 0.524 ' ND2' HG22 ' A' ' 561' ' ' VAL . 60.5 m-20 -66.08 -40.05 90.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 65.430000000000007 109.294 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 615' ' ' CYS . . . . . 1.053 ' SG ' ' CB ' ' A' ' 559' ' ' CYS . 0.0 OUTLIER -123.22 -75.54 0.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 41.030000000000001 108.302 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 616' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 147.86 -17.21 1.4 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.516 1.135 . . . . 73.109999999999999 111.001 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 617' ' ' GLU . . . . . 0.428 ' OE2' ' ND2' ' A' ' 558' ' ' ASN . 2.9 tp10 -42.61 102.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 0.783 . . . . 65.409999999999997 110.325 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 91.1 t -53.58 112.32 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 74.030000000000001 109.301 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 619' ' ' TRP . . . . . 0.786 ' CE2' ' HE3' ' A' ' 638' ' ' MET . 34.4 m0 -71.31 -52.62 17.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 60.130000000000003 107.969 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 620' ' ' GLY . . . . . 0.401 ' O ' ' HA ' ' A' ' 609' ' ' VAL . . . 177.93 -97.73 0.11 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.504 1.128 . . . . 44.030000000000001 111.033 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 621' ' ' LEU . . . . . 0.698 ' C ' HD23 ' A' ' 621' ' ' LEU . 0.0 OUTLIER -161.21 170.63 19.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 0.775 . . . . 55.43 109.294 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 622' ' ' GLN . . . . . 0.449 ' HA ' HD11 ' A' ' 610' ' ' ILE . 0.6 OUTLIER -93.79 161.68 14.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 72.530000000000001 110.3 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 623' ' ' MET . . . . . 0.793 ' HG3' HG21 ' A' ' 632' ' ' VAL . 5.7 mmt -145.71 118.96 8.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 73.140000000000001 111.008 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 624' ' ' ILE . . . . . 0.731 ' N ' HD12 ' A' ' 624' ' ' ILE . 1.8 mp -95.36 134.1 33.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 35.219999999999999 109.304 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 625' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -140.02 105.64 5.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 74.019999999999996 111.021 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 626' ' ' LYS . . . . . 0.493 ' O ' ' CB ' ' A' ' 627' ' ' SER . 6.0 mmpt? 71.5 20.69 4.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 70.219999999999999 109.297 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 627' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.2 p 85.49 38.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 73.140000000000001 109.999 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 628' ' ' VAL . . . . . 0.716 HG12 ' HG ' ' A' ' 630' ' ' LEU . 38.8 t -128.18 113.36 30.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 71.109999999999999 109.265 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 3.0 mmmm -67.81 99.35 0.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 62.25 109.347 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 630' ' ' LEU . . . . . 0.777 HD22 HG22 ' A' ' 580' ' ' VAL . 66.2 mt -112.83 111.54 51.16 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 61.340000000000003 109.297 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 631' ' ' PRO . . . . . 0.619 ' HB2' HD11 ' A' ' 633' ' ' LEU . 18.3 Cg_endo -75.02 131.66 14.52 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.505 1.792 . . . . 72.430000000000007 111.018 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 632' ' ' VAL . . . . . 0.793 HG21 ' HG3' ' A' ' 623' ' ' MET . 91.7 t -99.35 93.4 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 60.43 109.299 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 633' ' ' LEU . . . . . 0.726 ' N ' HD13 ' A' ' 633' ' ' LEU . 0.0 OUTLIER -99.34 170.2 8.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 43.539999999999999 109.289 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 634' ' ' LYS . . . . . 0.474 ' HE3' ' CG ' ' A' ' 636' ' ' ARG . 0.6 OUTLIER -109.42 -169.56 1.5 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 73.150000000000006 109.238 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 635' ' ' VAL . . . . . 0.832 HG11 ' C ' ' A' ' 651' ' ' LYS . 12.0 p -112.0 -17.93 8.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 71.219999999999999 109.307 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 636' ' ' ARG . . . . . 0.535 ' O ' HD13 ' A' ' 557' ' ' ILE . 2.6 ptt85 -77.95 -9.6 59.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 73.109999999999999 110.291 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 637' ' ' SER . . . . . 0.463 ' HG ' ' HD1' ' A' ' 619' ' ' TRP . 89.8 p -121.52 -3.33 9.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 63.219999999999999 109.996 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 638' ' ' MET . . . . . 0.786 ' HE3' ' CE2' ' A' ' 619' ' ' TRP . 31.0 mmt -112.86 121.41 44.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 55.439999999999998 111.055 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 639' ' ' LEU . . . . . 0.827 HD12 ' H ' ' A' ' 640' ' ' LEU . 26.3 tp -89.82 152.24 21.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 71.409999999999997 109.333 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 640' ' ' LEU . . . . . 0.827 ' H ' HD12 ' A' ' 639' ' ' LEU . 6.9 mt -120.97 103.37 9.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 64.409999999999997 109.301 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . 0.425 ' HB2' HD11 ' A' ' 555' ' ' LEU . 5.4 mt-10 -73.92 126.59 30.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 71.049999999999997 110.306 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 642' ' ' THR . . . . . 0.754 HG21 HD12 ' A' ' 647' ' ' ILE . 1.9 p -135.52 159.03 73.08 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 74.040000000000006 110.387 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -20.07 17.11 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.473 1.775 . . . . 71.239999999999995 110.957 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -87.54 -16.0 35.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 73.109999999999999 110.299 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 135.45 133.88 3.3 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.493 1.121 . . . . 72.310000000000002 111.012 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 646' ' ' ARG . . . . . 0.808 ' HD2' HD21 ' A' ' 639' ' ' LEU . 24.6 mtm-85 -46.77 152.15 0.52 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 0.763 . . . . 62.310000000000002 110.307 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 647' ' ' ILE . . . . . 0.754 HD12 HG21 ' A' ' 642' ' ' THR . 11.2 mt -137.28 135.21 47.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 73.209999999999994 109.347 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 648' ' ' GLN . . . . . 0.417 ' OE1' ' N ' ' A' ' 649' ' ' ALA . 0.1 OUTLIER -133.86 117.01 16.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.103 . . . . 74.310000000000002 110.329 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 649' ' ' ALA . . . . . 0.417 ' N ' ' OE1' ' A' ' 648' ' ' GLN . . . -126.03 151.34 47.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 42.340000000000003 109.362 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 650' ' ' LYS . . . . . 0.439 ' HA ' ' CB ' ' A' ' 636' ' ' ARG . 7.2 mttm -94.56 4.73 53.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 71.049999999999997 109.32 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 651' ' ' LYS . . . . . 0.832 ' C ' HG11 ' A' ' 635' ' ' VAL . 2.0 mmmp? -142.66 142.54 32.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 74.010000000000005 109.294 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 652' ' ' TRP . . . . . 0.689 ' CG ' ' CD2' ' A' ' 577' ' ' HIS . 46.1 m95 -73.34 -17.1 61.33 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.994 -1.113 . . . . 64.099999999999994 107.994 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 2.2 m -63.65 -12.33 32.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 65.030000000000001 109.952 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 654' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 655' ' ' VAL . 9.2 mmt85 -107.23 -24.84 11.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 62.210000000000001 110.272 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 655' ' ' VAL . . . . . 0.767 HG23 HG21 ' A' ' 635' ' ' VAL . 2.4 t -40.41 125.23 1.79 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 63.140000000000001 109.277 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 656' ' ' PRO . . . . . 0.691 ' HD2' HD13 ' A' ' 640' ' ' LEU . 18.2 Cg_endo -75.01 -50.09 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.505 1.792 . . . . 64.409999999999997 110.97 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 657' ' ' PHE . . . . . 1.019 ' CE1' HG22 ' A' ' 659' ' ' VAL . 19.7 p90 -63.44 150.15 44.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.167 . . . . 62.409999999999997 110.971 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 658' ' ' SER . . . . . 0.405 ' O ' HG11 ' A' ' 549' ' ' VAL . 0.1 OUTLIER -83.25 143.21 30.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 75.030000000000001 110.002 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 659' ' ' VAL . . . . . 1.019 HG22 ' CE1' ' A' ' 657' ' ' PHE . 1.9 t -121.26 95.44 48.54 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 71.349999999999994 109.348 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 660' ' ' PRO . . . . . 0.412 ' O ' ' HA ' ' A' ' 570' ' ' ARG . 18.3 Cg_endo -75.01 147.88 34.48 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.561 1.821 . . . . 62.43 111.013 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 9.4 p30 -59.9 163.8 4.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 72.120000000000005 109.272 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 662' ' ' PHE . . . . . 0.447 ' N ' ' O ' ' A' ' 571' ' ' LYS . 62.4 t80 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 73.109999999999999 111.012 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 546' ' ' GLN . . . . . 0.584 ' C ' ' CD1' ' A' ' 547' ' ' PHE . 1.8 pt20 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.28 -0.267 . . . . 73.019999999999996 110.28 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 547' ' ' PHE . . . . . 0.584 ' CD1' ' C ' ' A' ' 546' ' ' GLN . 0.7 OUTLIER -159.67 99.81 1.51 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 73.530000000000001 111.001 179.93 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 548' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 144.24 29.78 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.512 1.796 . . . . 74.030000000000001 110.963 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 549' ' ' VAL . . . . . 0.447 HG12 ' HB2' ' A' ' 657' ' ' PHE . 29.1 m -51.35 -44.62 31.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.12 . . . . 51.32 109.275 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -53.91 -28.8 39.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 65.140000000000001 110.319 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 8.7 m170 -90.79 -21.83 21.32 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.424 1.078 . . . . 51.530000000000001 109.61 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 552' ' ' VAL . . . . . 0.772 HG21 ' HB3' ' A' ' 657' ' ' PHE . 41.8 t -93.07 124.84 45.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 65.230000000000004 109.304 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -111.03 148.16 33.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 73.099999999999994 110.327 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 554' ' ' LEU . . . . . 0.83 HD11 HD23 ' A' ' 569' ' ' LEU . 0.7 OUTLIER -89.04 112.33 23.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 75.109999999999999 109.28 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 555' ' ' LEU . . . . . 0.861 HD11 ' HB2' ' A' ' 641' ' ' GLU . 0.2 OUTLIER -131.96 178.72 6.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 64.299999999999997 109.26 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 556' ' ' CYS . . . . . 0.519 ' O ' ' N ' ' A' ' 560' ' ' MET . 2.4 t -107.47 99.12 8.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 114.956 -1.02 . . . . 73.150000000000006 110.89 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 557' ' ' ILE . . . . . 0.881 HD13 ' O ' ' A' ' 636' ' ' ARG . 1.2 pt -31.49 -38.83 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 65.209999999999994 109.313 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 558' ' ' ASN . . . . . 0.516 ' N ' ' O ' ' A' ' 556' ' ' CYS . 13.7 m-20 -71.99 -64.21 0.98 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 61.140000000000001 109.277 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 559' ' ' CYS . . . . . 1.16 ' CB ' ' SG ' ' A' ' 615' ' ' CYS . 6.9 m -74.96 -70.48 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 71.349999999999994 108.314 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 560' ' ' MET . . . . . 0.519 ' N ' ' O ' ' A' ' 556' ' ' CYS . 28.1 mtm 79.14 46.37 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 62.340000000000003 110.988 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 561' ' ' VAL . . . . . 0.497 HG22 ' ND2' ' A' ' 614' ' ' ASN . 1.0 OUTLIER -114.67 15.65 8.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 74.549999999999997 109.281 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 562' ' ' ALA . . . . . 0.543 ' CA ' HD23 ' A' ' 555' ' ' LEU . . . 66.07 108.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 52.130000000000003 109.296 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 563' ' ' VAL . . . . . 0.793 HG12 ' CD1' ' A' ' 587' ' ' TYR . 1.1 m -107.4 -6.67 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 61.229999999999997 109.306 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -178.25 -158.08 20.26 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.465 1.103 . . . . 72.5 111.064 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 565' ' ' HIS . . . . . . . . . . . . . 39.2 m80 -128.83 146.13 51.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 0.746 . . . . 71.109999999999999 109.605 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . -75.36 -4.94 75.81 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.526 1.141 . . . . 70.400000000000006 111.022 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 567' ' ' SER . . . . . 0.407 ' CB ' HG23 ' A' ' 549' ' ' VAL . 20.2 p -112.18 9.12 20.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 0.793 . . . . 50.009999999999998 110.049 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 568' ' ' ASP . . . . . 0.482 ' O ' ' CZ ' ' A' ' 570' ' ' ARG . 4.2 t0 -110.36 -19.46 12.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 50.530000000000001 109.321 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 569' ' ' LEU . . . . . 0.833 HD13 HG13 ' A' ' 659' ' ' VAL . 0.1 OUTLIER -83.15 164.47 20.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 63.020000000000003 109.31 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 570' ' ' ARG . . . . . 0.482 ' CZ ' ' O ' ' A' ' 568' ' ' ASP . 0.6 OUTLIER -143.83 -177.64 5.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 61.439999999999998 110.293 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 571' ' ' LYS . . . . . 0.515 ' HD3' ' CE1' ' A' ' 577' ' ' HIS . 13.3 ttpt -117.81 158.57 24.55 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 72.099999999999994 109.31 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 572' ' ' VAL . . . . . 0.589 HG12 ' HG2' ' A' ' 573' ' ' GLU . 2.4 t -125.7 114.03 37.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 71.349999999999994 109.32 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 573' ' ' GLU . . . . . 0.589 ' HG2' HG12 ' A' ' 572' ' ' VAL . 17.9 pt-20 41.2 36.94 0.53 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 73.030000000000001 110.31 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 39.5 55.15 2.64 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.462 1.101 . . . . 73.140000000000001 110.987 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 2.2 m -131.27 -60.66 0.94 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.445 0.732 . . . . 72.129999999999995 110.383 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 576' ' ' HIS . . . . . 0.694 ' CE1' ' CZ2' ' A' ' 604' ' ' TRP . 0.0 OUTLIER -133.0 124.62 28.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 65.409999999999997 109.635 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 577' ' ' HIS . . . . . 0.537 ' CD2' ' CG ' ' A' ' 652' ' ' TRP . 30.7 m-70 -69.17 156.46 38.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 74.140000000000001 109.564 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 578' ' ' VAL . . . . . 0.926 HG12 HG22 ' A' ' 632' ' ' VAL . 18.1 m -155.93 115.19 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 70.109999999999999 109.268 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 579' ' ' ASN . . . . . 0.475 ' HB3' ' CD2' ' A' ' 633' ' ' LEU . 2.0 t-20 -86.88 111.6 20.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 70.200000000000003 109.323 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 580' ' ' VAL . . . . . 0.922 HG22 HD22 ' A' ' 630' ' ' LEU . 3.0 t -81.88 139.24 18.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 73.209999999999994 109.273 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 581' ' ' ASN . . . . . 0.476 ' CB ' ' HB2' ' A' ' 584' ' ' PHE . 20.3 m-20 178.86 128.44 0.22 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 74.140000000000001 109.279 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 582' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -34.08 4.06 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.48 1.779 . . . . 63.109999999999999 110.992 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 583' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -79.29 -2.37 41.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 75.310000000000002 109.317 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 584' ' ' PHE . . . . . 0.512 ' O ' ' CD2' ' A' ' 588' ' ' TYR . 3.6 t80 -69.2 -32.87 72.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 74.299999999999997 110.995 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 585' ' ' SER . . . . . 0.528 ' HA ' ' CE2' ' A' ' 588' ' ' TYR . 84.0 p -56.95 -24.8 55.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 43.200000000000003 109.995 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 23.8 m-80 -87.78 -18.5 29.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 75.349999999999994 109.264 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 587' ' ' TYR . . . . . 0.793 ' CD1' HG12 ' A' ' 563' ' ' VAL . 4.9 m-85 -91.92 2.23 56.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 71.409999999999997 110.964 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 588' ' ' TYR . . . . . 0.734 ' HE1' HG23 ' A' ' 590' ' ' VAL . 1.2 p90 -160.77 159.0 29.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 64.510000000000005 111.009 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 589' ' ' ASN . . . . . 0.466 ' ND2' ' N ' ' A' ' 589' ' ' ASN . 0.1 OUTLIER -128.41 128.95 45.43 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.472 1.108 . . . . 75.420000000000002 109.263 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 590' ' ' VAL . . . . . 0.734 HG23 ' HE1' ' A' ' 588' ' ' TYR . 13.0 t -76.05 133.99 29.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 73.519999999999996 109.336 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 11.8 m . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 64.239999999999995 109.992 -179.994 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 604' ' ' TRP . . . . . 0.694 ' CZ2' ' CE1' ' A' ' 576' ' ' HIS . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 108.001 -1.111 . . . . 74.230000000000004 108.001 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 605' ' ' LYS . . . . . . . . . . . . . 9.8 ptmt -108.92 154.29 41.96 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 72.329999999999998 109.284 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 606' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 171.51 18.17 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.434 1.755 . . . . 73.219999999999999 111.022 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 607' ' ' GLY . . . . . 0.554 ' H ' HD23 ' A' ' 621' ' ' LEU . . . -133.02 -106.2 0.97 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.492 1.12 . . . . 72.400000000000006 110.98 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 608' ' ' GLY . . . . . 0.644 ' HA3' HG13 ' A' ' 590' ' ' VAL . . . -141.97 145.88 16.52 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.006 -0.838 . . . . 75.030000000000001 111.006 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 26.3 t -53.85 123.77 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.52 0.776 . . . . 74.230000000000004 109.3 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 610' ' ' ILE . . . . . 0.652 HG23 ' CD1' ' A' ' 588' ' ' TYR . 0.6 OUTLIER -92.22 153.23 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 75.209999999999994 109.305 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.12 122.81 4.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 75.239999999999995 109.957 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 612' ' ' CYS . . . . . 0.45 ' O ' ' N ' ' A' ' 616' ' ' GLY . 25.6 t -48.43 116.99 1.77 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 71.120000000000005 108.335 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 9.5 ttt180 -71.81 -25.24 61.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 74.109999999999999 110.285 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 614' ' ' ASN . . . . . 0.497 ' ND2' HG22 ' A' ' 561' ' ' VAL . 85.8 m-20 -66.04 -35.86 81.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 52.539999999999999 109.291 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 615' ' ' CYS . . . . . 1.16 ' SG ' ' CB ' ' A' ' 559' ' ' CYS . 1.4 m -127.42 -73.34 0.61 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.123 . . . . 72.209999999999994 108.288 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 616' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 150.98 -18.81 0.96 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.535 1.147 . . . . 61.520000000000003 111.026 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -42.08 102.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 0.781 . . . . 71.420000000000002 110.33 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 7.5 t -49.33 130.4 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 71.400000000000006 109.287 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 619' ' ' TRP . . . . . 0.833 ' CE2' ' HE3' ' A' ' 638' ' ' MET . 39.4 m0 -94.2 -36.21 12.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 74.230000000000004 107.994 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 620' ' ' GLY . . . . . . . . . . . . . . . 154.18 -113.5 0.57 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.455 1.097 . . . . 73.319999999999993 110.969 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 621' ' ' LEU . . . . . 0.771 HD22 ' C ' ' A' ' 621' ' ' LEU . 0.0 OUTLIER -147.84 155.76 41.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 0.773 . . . . 74.230000000000004 109.297 -179.941 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 622' ' ' GLN . . . . . 0.641 ' HA ' HD11 ' A' ' 610' ' ' ILE . 1.1 tt0 -85.02 133.56 34.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 74.040000000000006 110.331 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 623' ' ' MET . . . . . 0.539 ' HG3' ' CH2' ' A' ' 604' ' ' TRP . 12.4 mmt -114.61 141.98 47.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 65.439999999999998 111.03 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 624' ' ' ILE . . . . . 0.663 ' N ' HD12 ' A' ' 624' ' ' ILE . 3.7 mp -115.37 141.53 31.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 63.200000000000003 109.302 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 625' ' ' TYR . . . . . 0.434 ' CE2' ' HG3' ' A' ' 626' ' ' LYS . 21.4 t80 -149.07 110.3 4.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 72.109999999999999 110.976 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 626' ' ' LYS . . . . . 0.492 ' O ' ' CB ' ' A' ' 627' ' ' SER . 1.2 mmpt? 68.47 18.54 8.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 74.430000000000007 109.306 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 627' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.2 p 85.37 39.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 51.340000000000003 109.998 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 628' ' ' VAL . . . . . 0.718 HG12 ' HG ' ' A' ' 630' ' ' LEU . 48.9 t -124.97 113.01 33.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.559 1.162 . . . . 62.509999999999998 109.323 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 629' ' ' LYS . . . . . 0.499 ' CE ' ' OE1' ' A' ' 622' ' ' GLN . 5.4 mmmm -71.44 99.38 1.99 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 62.520000000000003 109.324 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 630' ' ' LEU . . . . . 0.922 HD22 HG22 ' A' ' 580' ' ' VAL . 56.6 mt -115.55 111.76 43.74 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 73.109999999999999 109.313 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 631' ' ' PRO . . . . . 0.632 ' HB2' HD11 ' A' ' 633' ' ' LEU . 18.5 Cg_endo -74.98 129.59 12.5 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.5 1.789 . . . . 72.349999999999994 111.019 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 632' ' ' VAL . . . . . 0.951 ' C ' HD13 ' A' ' 633' ' ' LEU . 16.7 t -98.89 109.08 23.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 70.030000000000001 109.291 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 633' ' ' LEU . . . . . 0.951 HD13 ' C ' ' A' ' 632' ' ' VAL . 0.0 OUTLIER -111.03 171.73 7.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 53.409999999999997 109.327 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 634' ' ' LYS . . . . . 0.438 ' HE3' ' CG ' ' A' ' 636' ' ' ARG . 1.1 mtmt -99.95 -178.15 3.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.095 . . . . 73.129999999999995 109.299 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 635' ' ' VAL . . . . . 0.991 HG11 ' C ' ' A' ' 651' ' ' LYS . 13.9 p -102.63 -28.95 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 73.400000000000006 109.299 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 636' ' ' ARG . . . . . 0.881 ' O ' HD13 ' A' ' 557' ' ' ILE . 1.6 ptm180 -76.86 -17.59 58.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 72.430000000000007 110.265 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 4.9 p -99.47 -11.69 20.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 72.400000000000006 110.005 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 638' ' ' MET . . . . . 0.833 ' HE3' ' CE2' ' A' ' 619' ' ' TRP . 32.9 mmt -109.09 129.09 55.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 73.010000000000005 111.034 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 639' ' ' LEU . . . . . 0.823 HD12 ' N ' ' A' ' 640' ' ' LEU . 7.2 tp -93.03 141.31 28.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 44.119999999999997 109.318 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 640' ' ' LEU . . . . . 0.823 ' N ' HD12 ' A' ' 639' ' ' LEU . 0.7 OUTLIER -109.18 94.37 5.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 71.319999999999993 109.253 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . 0.861 ' HB2' HD11 ' A' ' 555' ' ' LEU . 7.3 mt-10 -75.43 127.81 33.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 74.319999999999993 110.277 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 642' ' ' THR . . . . . 0.588 HG21 HD12 ' A' ' 647' ' ' ILE . 0.2 OUTLIER -136.42 160.31 67.27 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.113 . . . . 63.409999999999997 110.379 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 1.96 7.14 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.46 1.768 . . . . 73.400000000000006 110.977 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -108.96 -9.09 15.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 71.340000000000003 110.313 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 127.18 134.53 3.98 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.521 1.138 . . . . 72.030000000000001 110.945 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 646' ' ' ARG . . . . . 0.75 ' HD2' HD21 ' A' ' 639' ' ' LEU . 66.0 mtm180 -46.11 152.32 0.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 0.755 . . . . 71.209999999999994 110.258 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 647' ' ' ILE . . . . . 0.588 HD12 HG21 ' A' ' 642' ' ' THR . 35.5 mt -139.76 134.61 38.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 73.420000000000002 109.275 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 648' ' ' GLN . . . . . 0.455 ' NE2' ' HA ' ' A' ' 636' ' ' ARG . 1.6 tm0? -133.92 110.11 9.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.134 . . . . 72.409999999999997 110.317 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 649' ' ' ALA . . . . . 0.478 ' CB ' ' HB2' ' A' ' 654' ' ' ARG . . . -101.21 -178.39 3.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 42.409999999999997 109.293 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 39.1 mttt -114.14 -13.31 12.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 74.439999999999998 109.261 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 651' ' ' LYS . . . . . 0.991 ' C ' HG11 ' A' ' 635' ' ' VAL . 13.7 mmmt -144.24 160.16 41.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 73.099999999999994 109.316 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 652' ' ' TRP . . . . . 0.7 ' HA ' HG23 ' A' ' 655' ' ' VAL . 69.0 m95 -74.52 -6.06 46.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 64.430000000000007 107.993 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 1.9 t -72.13 -18.37 61.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 74.439999999999998 109.972 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 654' ' ' ARG . . . . . 0.478 ' HB2' ' CB ' ' A' ' 649' ' ' ALA . 6.0 mmm-85 -100.58 -17.67 16.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 72.299999999999997 110.298 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 655' ' ' VAL . . . . . 0.744 HG13 ' CD1' ' A' ' 657' ' ' PHE . 2.9 t -40.17 118.74 1.43 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 75.209999999999994 109.339 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 656' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -42.62 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.532 1.806 . . . . 62.130000000000003 111.015 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 657' ' ' PHE . . . . . 0.795 ' CE2' HG22 ' A' ' 659' ' ' VAL . 50.5 p90 -72.71 160.39 32.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 73.129999999999995 111.003 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 658' ' ' SER . . . . . 0.443 ' O ' ' CG1' ' A' ' 549' ' ' VAL . 42.2 m -88.68 149.54 23.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 74.530000000000001 110.026 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 659' ' ' VAL . . . . . 0.833 HG13 HD13 ' A' ' 569' ' ' LEU . 2.2 t -133.97 95.48 17.07 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 43.200000000000003 109.283 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 660' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 148.82 35.69 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.512 1.796 . . . . 71.239999999999995 110.981 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 661' ' ' ASP . . . . . 0.414 ' HA ' ' O ' ' A' ' 571' ' ' LYS . 58.3 p30 -54.67 166.6 0.45 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 75.099999999999994 109.295 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 662' ' ' PHE . . . . . 0.44 ' N ' ' O ' ' A' ' 571' ' ' LYS . 47.9 t80 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 74.299999999999997 110.984 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 546' ' ' GLN . . . . . 0.595 ' C ' ' CD1' ' A' ' 547' ' ' PHE . 3.6 pt20 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.329 -0.249 . . . . 75.5 110.329 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 547' ' ' PHE . . . . . 0.647 ' N ' ' CD1' ' A' ' 547' ' ' PHE . 0.1 OUTLIER -153.16 98.21 2.77 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 74.400000000000006 111.03 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 548' ' ' PRO . . . . . 0.597 ' O ' HG23 ' A' ' 552' ' ' VAL . 18.1 Cg_endo -75.0 138.02 22.46 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.492 1.785 . . . . 65.219999999999999 111.024 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 549' ' ' VAL . . . . . 0.704 HG12 ' HB2' ' A' ' 657' ' ' PHE . 17.9 m -52.92 -32.26 17.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 73.340000000000003 109.258 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 550' ' ' GLU . . . . . 0.451 ' OE2' ' NE2' ' A' ' 551' ' ' HIS . 2.6 pt-20 -66.22 -30.27 70.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 74.219999999999999 110.303 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 551' ' ' HIS . . . . . 0.51 ' CG ' ' HG2' ' A' ' 548' ' ' PRO . 23.9 m170 -96.46 -8.92 30.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 75.5 109.556 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 552' ' ' VAL . . . . . 0.653 ' CG1' HD12 ' A' ' 640' ' ' LEU . 86.8 t -103.13 130.12 53.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 74.230000000000004 109.261 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 553' ' ' GLN . . . . . 0.762 ' HB3' HD11 ' A' ' 555' ' ' LEU . 10.1 tt0 -119.37 162.33 18.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 71.430000000000007 110.311 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 554' ' ' LEU . . . . . 0.84 HD11 HD23 ' A' ' 569' ' ' LEU . 1.3 mt -96.43 108.48 21.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 74.109999999999999 109.277 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 555' ' ' LEU . . . . . 0.799 HD12 ' N ' ' A' ' 555' ' ' LEU . 0.4 OUTLIER -120.8 172.03 8.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.571 1.169 . . . . 54.32 109.349 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 556' ' ' CYS . . . . . 0.562 ' O ' ' N ' ' A' ' 560' ' ' MET . 3.5 t -107.96 109.29 20.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.02 -0.991 . . . . 61.109999999999999 110.958 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 557' ' ' ILE . . . . . 0.694 HD13 ' O ' ' A' ' 636' ' ' ARG . 0.9 OUTLIER -36.05 -32.23 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.1 . . . . 71.430000000000007 109.293 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 558' ' ' ASN . . . . . 0.509 ' N ' ' O ' ' A' ' 556' ' ' CYS . 2.7 m120 -86.23 -67.05 0.84 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 74.409999999999997 109.311 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 559' ' ' CYS . . . . . 0.969 ' SG ' ' SG ' ' A' ' 615' ' ' CYS . 3.7 m -62.42 -64.53 0.9 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 64.209999999999994 108.306 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 560' ' ' MET . . . . . 0.562 ' N ' ' O ' ' A' ' 556' ' ' CYS . 11.6 mtm 68.24 39.94 2.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 64.549999999999997 110.994 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 561' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 561' ' ' VAL . 0.9 OUTLIER -117.81 11.87 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 75.430000000000007 109.301 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 562' ' ' ALA . . . . . 0.403 ' HA ' ' O ' ' A' ' 554' ' ' LEU . . . 66.17 112.44 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 75.019999999999996 109.284 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 563' ' ' VAL . . . . . 0.662 HG12 ' CD1' ' A' ' 587' ' ' TYR . 1.0 OUTLIER -106.96 -8.21 10.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 54.450000000000003 109.307 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -170.26 -148.71 6.04 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.501 1.125 . . . . 62.229999999999997 111.002 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 565' ' ' HIS . . . . . . . . . . . . . 18.9 m-70 -138.84 150.17 45.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 0.794 . . . . 50.530000000000001 109.613 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 566' ' ' GLY . . . . . 0.657 ' O ' HD11 ' A' ' 569' ' ' LEU . . . -80.49 -12.89 82.48 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.534 1.146 . . . . 64.219999999999999 111.008 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 567' ' ' SER . . . . . 0.585 ' OG ' HG23 ' A' ' 549' ' ' VAL . 9.2 t -101.96 2.22 37.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 0.751 . . . . 35.299999999999997 110.001 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -106.17 -24.47 12.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 71.430000000000007 109.294 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 569' ' ' LEU . . . . . 0.84 HD23 HD11 ' A' ' 554' ' ' LEU . 0.2 OUTLIER -74.18 149.89 40.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 74.409999999999997 109.329 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 570' ' ' ARG . . . . . 0.723 ' HA ' HG23 ' A' ' 659' ' ' VAL . 15.2 mmm-85 -137.53 144.93 42.38 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 73.209999999999994 110.281 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 571' ' ' LYS . . . . . 0.554 ' HD3' ' CE1' ' A' ' 577' ' ' HIS . 18.5 ttpt -79.66 158.75 26.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 71.230000000000004 109.336 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 572' ' ' VAL . . . . . 0.466 HG23 ' CG2' ' A' ' 578' ' ' VAL . 2.6 t -112.09 107.75 23.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 72.129999999999995 109.307 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 573' ' ' GLU . . . . . 0.45 ' HG2' HG12 ' A' ' 572' ' ' VAL . 7.4 pt-20 41.36 36.79 0.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 75.120000000000005 110.264 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 574' ' ' GLY . . . . . 0.463 ' HA2' ' CD ' ' A' ' 571' ' ' LYS . . . 49.86 49.4 35.27 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.506 1.129 . . . . 72.109999999999999 110.989 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 575' ' ' THR . . . . . 0.414 HG22 ' CG ' ' A' ' 576' ' ' HIS . 1.2 m -125.27 -64.67 1.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 0.768 . . . . 74.25 110.364 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 576' ' ' HIS . . . . . 0.414 ' CG ' HG22 ' A' ' 575' ' ' THR . 13.2 m-70 -127.13 150.71 49.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.138 . . . . 74.310000000000002 109.626 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 577' ' ' HIS . . . . . 0.796 ' CD2' ' CE3' ' A' ' 652' ' ' TRP . 9.9 m80 -88.0 130.23 35.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 71.420000000000002 109.573 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 578' ' ' VAL . . . . . 0.843 HG12 HG22 ' A' ' 632' ' ' VAL . 22.3 m -137.46 108.62 5.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 73.230000000000004 109.29 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 579' ' ' ASN . . . . . 0.449 ' HB3' ' CD2' ' A' ' 633' ' ' LEU . 1.5 t-20 -79.86 110.07 14.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 71.219999999999999 109.331 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 580' ' ' VAL . . . . . 0.841 HG22 HD22 ' A' ' 630' ' ' LEU . 3.3 t -81.51 151.43 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 75.230000000000004 109.315 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 581' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 580' ' ' VAL . 0.3 OUTLIER 161.82 126.67 0.01 OUTLIER Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 62.140000000000001 109.282 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 582' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -24.61 12.74 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.545 1.813 . . . . 74.519999999999996 111.034 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 583' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -81.86 -4.45 56.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 73.030000000000001 109.293 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 584' ' ' PHE . . . . . 0.553 ' O ' ' CD2' ' A' ' 588' ' ' TYR . 2.3 t80 -72.46 -32.86 66.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 72.140000000000001 111.012 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 585' ' ' SER . . . . . 0.482 ' HA ' ' CE2' ' A' ' 588' ' ' TYR . 9.1 t -57.01 -25.15 58.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.157 . . . . 75.409999999999997 110.013 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -87.83 -18.0 30.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 70.310000000000002 109.262 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 587' ' ' TYR . . . . . 0.662 ' CD1' HG12 ' A' ' 563' ' ' VAL . 6.5 m-85 -92.5 2.08 56.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 72.040000000000006 110.993 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 588' ' ' TYR . . . . . 0.75 ' HE1' HG23 ' A' ' 590' ' ' VAL . 1.6 p90 -161.29 161.1 30.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 61.229999999999997 111.051 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 589' ' ' ASN . . . . . 0.402 ' ND2' ' HB2' ' A' ' 613' ' ' ARG . 37.4 m-80 -128.74 126.2 39.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 74.120000000000005 109.311 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 590' ' ' VAL . . . . . 0.75 HG23 ' HE1' ' A' ' 588' ' ' TYR . 7.9 t -73.16 141.49 16.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 51.210000000000001 109.28 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 591' ' ' SER . . . . . 0.414 ' O ' HG12 ' A' ' 590' ' ' VAL . 7.7 p . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 73.109999999999999 110.006 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 604' ' ' TRP . . . . . 0.601 ' CH2' ' SD ' ' A' ' 623' ' ' MET . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 108.003 -1.11 . . . . 71.150000000000006 108.003 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 605' ' ' LYS . . . . . . . . . . . . . 22.8 pttt -86.39 163.21 43.09 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 64.209999999999994 109.329 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 606' ' ' PRO . . . . . 0.484 ' O ' ' CD1' ' A' ' 624' ' ' ILE . 18.1 Cg_endo -74.99 -166.49 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.466 1.772 . . . . 71.439999999999998 111.003 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 607' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 622' ' ' GLN . . . -152.97 -101.5 0.21 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.524 1.14 . . . . 51.119999999999997 111.027 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 608' ' ' GLY . . . . . 0.66 ' HA3' HG13 ' A' ' 590' ' ' VAL . . . -151.05 152.15 24.01 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 110.999 -0.84 . . . . 74.25 110.999 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 13.4 t -56.53 128.3 16.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.536 0.786 . . . . 74.519999999999996 109.291 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 610' ' ' ILE . . . . . 0.53 HG23 ' CD1' ' A' ' 588' ' ' TYR . 0.6 OUTLIER -91.25 149.54 4.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 52.219999999999999 109.301 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -153.87 114.81 4.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.169 . . . . 75.0 110.028 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 612' ' ' CYS . . . . . 0.439 ' HB2' ' CE2' ' A' ' 619' ' ' TRP . 19.2 t -48.23 122.36 5.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 72.239999999999995 108.288 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 613' ' ' ARG . . . . . 0.402 ' HB2' ' ND2' ' A' ' 589' ' ' ASN . 6.7 ttt180 -69.92 -27.42 64.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 71.420000000000002 110.292 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 614' ' ' ASN . . . . . 0.411 ' ND2' HG22 ' A' ' 561' ' ' VAL . 98.0 m-20 -66.84 -38.87 87.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 64.340000000000003 109.28 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 615' ' ' CYS . . . . . 0.969 ' SG ' ' SG ' ' A' ' 559' ' ' CYS . 0.0 OUTLIER -122.94 -76.89 0.59 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 54.310000000000002 108.338 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 616' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 147.69 -17.72 1.44 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.528 1.143 . . . . 75.519999999999996 110.976 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -42.9 102.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 0.756 . . . . 75.510000000000005 110.3 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 23.9 t -50.63 118.97 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 50.240000000000002 109.3 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 619' ' ' TRP . . . . . 0.792 ' CE2' ' HE3' ' A' ' 638' ' ' MET . 41.7 m0 -83.76 -22.56 31.87 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.014 -1.106 . . . . 74.329999999999998 108.014 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 620' ' ' GLY . . . . . . . . . . . . . . . 145.89 -116.44 0.89 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.513 1.133 . . . . 34.5 111.001 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 621' ' ' LEU . . . . . 0.659 HD22 ' C ' ' A' ' 621' ' ' LEU . 0.0 OUTLIER -145.66 161.58 39.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 0.747 . . . . 73.109999999999999 109.279 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 622' ' ' GLN . . . . . 0.572 ' N ' HD22 ' A' ' 621' ' ' LEU . 1.2 tt0 -93.96 136.82 33.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 75.140000000000001 110.28 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 623' ' ' MET . . . . . 0.601 ' SD ' ' CH2' ' A' ' 604' ' ' TRP . 13.9 mtp -119.43 136.55 54.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 74.120000000000005 111.008 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 624' ' ' ILE . . . . . 0.484 ' CD1' ' O ' ' A' ' 606' ' ' PRO . 4.6 mp -110.08 132.97 56.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 75.299999999999997 109.292 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 625' ' ' TYR . . . . . 0.566 ' C ' ' CD1' ' A' ' 625' ' ' TYR . 0.2 OUTLIER -137.74 117.11 12.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.128 . . . . 55.140000000000001 111.024 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 626' ' ' LYS . . . . . 0.505 ' O ' ' CB ' ' A' ' 627' ' ' SER . 0.8 OUTLIER 56.22 22.65 6.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 65.319999999999993 109.31 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 627' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.2 p 85.88 42.04 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 51.509999999999998 110.038 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 628' ' ' VAL . . . . . 0.772 HG12 ' HG ' ' A' ' 630' ' ' LEU . 53.9 t -127.68 112.53 28.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 64.219999999999999 109.278 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 629' ' ' LYS . . . . . 0.486 ' CE ' ' OE1' ' A' ' 622' ' ' GLN . 6.5 mmmm -75.7 100.54 4.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 70.010000000000005 109.303 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 630' ' ' LEU . . . . . 0.841 HD22 HG22 ' A' ' 580' ' ' VAL . 30.8 mt -119.01 111.69 36.94 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 64.299999999999997 109.343 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 631' ' ' PRO . . . . . 0.772 ' HB2' HD11 ' A' ' 633' ' ' LEU . 18.1 Cg_endo -75.04 136.92 20.96 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.536 1.809 . . . . 75.129999999999995 110.964 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 632' ' ' VAL . . . . . 0.843 HG22 HG12 ' A' ' 578' ' ' VAL . 5.1 t -102.13 99.0 7.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.133 . . . . 73.329999999999998 109.287 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 633' ' ' LEU . . . . . 0.857 ' N ' HD13 ' A' ' 633' ' ' LEU . 0.0 OUTLIER -102.51 171.77 7.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 73.120000000000005 109.34 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 634' ' ' LYS . . . . . 0.452 ' CD ' ' O ' ' A' ' 619' ' ' TRP . 0.0 OUTLIER -105.56 -165.34 1.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 72.019999999999996 109.301 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 635' ' ' VAL . . . . . 0.73 HG13 ' CE2' ' A' ' 652' ' ' TRP . 0.0 OUTLIER -112.0 -30.47 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 70.120000000000005 109.307 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 636' ' ' ARG . . . . . 0.694 ' O ' HD13 ' A' ' 557' ' ' ILE . 8.9 ptm180 -74.06 -3.2 27.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 71.230000000000004 110.314 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 4.8 p -114.5 -11.43 12.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 62.219999999999999 109.981 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 638' ' ' MET . . . . . 0.792 ' HE3' ' CE2' ' A' ' 619' ' ' TRP . 29.0 mmt -112.5 133.7 54.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 74.099999999999994 111.008 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 639' ' ' LEU . . . . . 0.798 HD21 ' HB3' ' A' ' 646' ' ' ARG . 0.9 OUTLIER -110.3 111.97 23.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 72.219999999999999 109.281 -179.938 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 640' ' ' LEU . . . . . 0.658 HD11 ' CE1' ' A' ' 657' ' ' PHE . 2.0 mm? -79.89 112.24 16.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 74.030000000000001 109.277 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . 0.545 ' HG3' HD22 ' A' ' 555' ' ' LEU . 2.5 mt-10 -74.45 135.66 42.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 63.340000000000003 110.304 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 642' ' ' THR . . . . . 0.864 HG21 HD12 ' A' ' 647' ' ' ILE . 7.6 p -141.51 158.65 62.89 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 54.119999999999997 110.387 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -18.31 18.87 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.482 1.78 . . . . 72.0 111.019 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -88.7 -7.89 55.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 72.140000000000001 110.291 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 126.11 135.67 4.3 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.492 1.12 . . . . 45.32 111.003 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 646' ' ' ARG . . . . . 0.798 ' HB3' HD21 ' A' ' 639' ' ' LEU . 15.5 mtm-85 -43.95 152.64 0.16 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 0.765 . . . . 74.409999999999997 110.268 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 647' ' ' ILE . . . . . 0.864 HD12 HG21 ' A' ' 642' ' ' THR . 27.5 mt -135.43 139.36 46.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 73.140000000000001 109.318 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 648' ' ' GLN . . . . . 0.424 ' NE2' ' HA ' ' A' ' 636' ' ' ARG . 0.3 OUTLIER -133.52 109.68 9.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 63.409999999999997 110.29 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 649' ' ' ALA . . . . . . . . . . . . . . . -119.68 169.5 10.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 74.109999999999999 109.324 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 650' ' ' LYS . . . . . 0.543 ' C ' HG23 ' A' ' 635' ' ' VAL . 2.2 mtmt -116.62 -4.86 11.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 72.219999999999999 109.325 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 651' ' ' LYS . . . . . 0.405 ' HD3' ' N ' ' A' ' 651' ' ' LYS . 0.0 OUTLIER -128.74 133.35 48.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 62.43 109.295 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 652' ' ' TRP . . . . . 0.796 ' CE3' ' CD2' ' A' ' 577' ' ' HIS . 69.5 m95 -65.02 -13.79 58.79 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.99 -1.115 . . . . 74.140000000000001 107.99 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 10.8 t -69.21 -13.82 62.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 63.350000000000001 110.005 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 654' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 655' ' ' VAL . 4.5 mmm180 -102.95 -22.79 13.77 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.506 1.129 . . . . 65.219999999999999 110.275 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 655' ' ' VAL . . . . . 0.78 HG13 ' CD1' ' A' ' 657' ' ' PHE . 2.2 t -39.94 130.62 1.54 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 72.329999999999998 109.319 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 656' ' ' PRO . . . . . 0.471 ' HB2' ' CG ' ' A' ' 547' ' ' PHE . 18.3 Cg_endo -75.01 -52.27 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.507 1.793 . . . . 61.049999999999997 111.005 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 657' ' ' PHE . . . . . 0.78 ' CD1' HG13 ' A' ' 655' ' ' VAL . 41.1 p90 -65.26 172.25 3.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 75.299999999999997 110.981 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 1.4 m -119.49 149.96 41.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.437 1.086 . . . . 65.340000000000003 110.056 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 659' ' ' VAL . . . . . 0.723 HG23 ' HA ' ' A' ' 570' ' ' ARG . 0.1 OUTLIER -149.77 107.12 3.26 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 41.420000000000002 109.295 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 660' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 167.63 26.63 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.507 1.793 . . . . 63.109999999999999 111.042 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -60.5 160.26 9.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 64.549999999999997 109.306 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 662' ' ' PHE . . . . . 0.468 ' N ' ' O ' ' A' ' 571' ' ' LYS . 37.5 t80 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 74.019999999999996 111.003 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 546' ' ' GLN . . . . . 0.437 ' O ' ' NE2' ' A' ' 644' ' ' GLN . 3.2 pt20 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.275 -0.268 . . . . 65.030000000000001 110.275 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -149.73 101.73 3.25 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 64.329999999999998 111.003 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 548' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 141.65 26.92 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.479 1.778 . . . . 53.100000000000001 111.001 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 549' ' ' VAL . . . . . 0.596 HG11 ' O ' ' A' ' 658' ' ' SER . 35.3 m -50.02 -45.68 23.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 75.420000000000002 109.287 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -53.97 -30.25 46.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 51.5 110.272 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 13.0 m170 -88.69 -26.89 21.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 64.540000000000006 109.557 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 552' ' ' VAL . . . . . 0.759 HG21 ' HB3' ' A' ' 657' ' ' PHE . 55.7 t -84.26 124.62 39.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 64.329999999999998 109.262 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 553' ' ' GLN . . . . . 0.515 ' OE1' ' CE1' ' A' ' 565' ' ' HIS . 7.7 tt0 -112.51 149.59 32.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 73.510000000000005 110.327 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 554' ' ' LEU . . . . . 1.021 HD11 HD23 ' A' ' 569' ' ' LEU . 1.4 mt -93.28 113.63 25.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 74.439999999999998 109.289 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 555' ' ' LEU . . . . . 0.808 HD11 ' HB2' ' A' ' 641' ' ' GLU . 0.2 OUTLIER -134.54 -179.92 5.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 65.349999999999994 109.33 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 556' ' ' CYS . . . . . 0.548 ' O ' ' N ' ' A' ' 560' ' ' MET . 5.1 t -107.53 102.33 11.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 114.994 -1.003 . . . . 65.450000000000003 110.912 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 557' ' ' ILE . . . . . 0.736 HD13 ' O ' ' A' ' 636' ' ' ARG . 1.2 pt -34.71 -34.46 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 74.150000000000006 109.311 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 558' ' ' ASN . . . . . 0.506 ' N ' ' O ' ' A' ' 556' ' ' CYS . 3.0 m120 -73.86 -62.31 1.54 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 63.229999999999997 109.28 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 559' ' ' CYS . . . . . 1.169 ' CB ' ' SG ' ' A' ' 615' ' ' CYS . 1.3 m -80.02 -68.33 0.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 62.109999999999999 108.308 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 560' ' ' MET . . . . . 0.548 ' N ' ' O ' ' A' ' 556' ' ' CYS . 23.2 mtm 78.07 47.94 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 73.239999999999995 111.009 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 561' ' ' VAL . . . . . 0.672 ' O ' ' HB3' ' A' ' 562' ' ' ALA . 0.9 OUTLIER -108.86 -2.86 10.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 73.25 109.309 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 562' ' ' ALA . . . . . 0.672 ' HB3' ' O ' ' A' ' 561' ' ' VAL . . . 83.49 99.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 73.120000000000005 109.288 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 563' ' ' VAL . . . . . 0.658 HG12 ' CD1' ' A' ' 587' ' ' TYR . 2.6 m -97.41 -5.35 9.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 72.450000000000003 109.349 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . 178.84 -160.91 26.94 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.522 1.139 . . . . 63.420000000000002 110.995 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 565' ' ' HIS . . . . . 0.515 ' CE1' ' OE1' ' A' ' 553' ' ' GLN . 14.8 m-70 -125.72 147.73 49.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 0.782 . . . . 74.299999999999997 109.611 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 566' ' ' GLY . . . . . 0.61 ' O ' HD11 ' A' ' 569' ' ' LEU . . . -71.51 -13.09 74.1 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.556 1.16 . . . . 63.219999999999999 110.999 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 20.3 p -104.73 8.36 34.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 0.783 . . . . 65.409999999999997 110.0 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -110.17 -13.64 14.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 74.120000000000005 109.303 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 569' ' ' LEU . . . . . 1.021 HD23 HD11 ' A' ' 554' ' ' LEU . 0.2 OUTLIER -88.19 150.91 23.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 61.420000000000002 109.264 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 570' ' ' ARG . . . . . 0.687 ' HA ' HG23 ' A' ' 659' ' ' VAL . 1.5 mpt_? -123.83 -175.1 3.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 70.319999999999993 110.294 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 571' ' ' LYS . . . . . 0.593 ' HB2' HG22 ' A' ' 659' ' ' VAL . 12.4 ttmt -124.34 158.1 33.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 62.520000000000003 109.267 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 572' ' ' VAL . . . . . 0.47 HG12 ' HG2' ' A' ' 573' ' ' GLU . 2.8 t -130.47 104.36 9.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.128 . . . . 71.010000000000005 109.321 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 573' ' ' GLU . . . . . 0.47 ' HG2' HG12 ' A' ' 572' ' ' VAL . 24.4 pt-20 41.35 35.59 0.44 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 52.399999999999999 110.328 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 41.29 47.43 4.49 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.509 1.13 . . . . 75.409999999999997 111.013 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 575' ' ' THR . . . . . 0.433 ' O ' ' CG ' ' A' ' 576' ' ' HIS . 2.1 m -111.69 -44.36 3.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 0.787 . . . . 63.420000000000002 110.405 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 576' ' ' HIS . . . . . 0.468 ' O ' HG13 ' A' ' 578' ' ' VAL . 29.8 m80 -159.22 121.09 3.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 74.209999999999994 109.606 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 577' ' ' HIS . . . . . 0.753 ' CD2' ' CE3' ' A' ' 652' ' ' TRP . 6.6 m80 -58.48 142.7 48.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 75.140000000000001 109.623 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 578' ' ' VAL . . . . . 0.709 HG12 HG22 ' A' ' 632' ' ' VAL . 23.7 m -143.83 108.6 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 62.039999999999999 109.315 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 579' ' ' ASN . . . . . 0.589 ' OD1' ' CE1' ' A' ' 584' ' ' PHE . 1.5 t-20 -80.38 109.07 14.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 73.230000000000004 109.284 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 580' ' ' VAL . . . . . 0.831 HG22 HD22 ' A' ' 630' ' ' LEU . 2.3 t -82.28 149.03 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 70.420000000000002 109.295 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 581' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 580' ' ' VAL . 0.3 OUTLIER 161.94 135.19 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 65.030000000000001 109.308 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 582' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -43.53 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.487 1.782 . . . . 70.219999999999999 110.966 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 583' ' ' ASN . . . . . 0.406 ' OD1' ' N ' ' A' ' 583' ' ' ASN . 0.8 OUTLIER -60.98 -15.31 30.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 75.340000000000003 109.326 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 584' ' ' PHE . . . . . 0.589 ' CE1' ' OD1' ' A' ' 579' ' ' ASN . 1.9 t80 -63.45 -34.55 78.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 73.430000000000007 111.021 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 585' ' ' SER . . . . . 0.459 ' HA ' ' CE2' ' A' ' 588' ' ' TYR . 13.7 p -57.7 -25.75 60.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 61.130000000000003 109.999 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 -87.62 -16.86 33.27 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 73.319999999999993 109.265 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 587' ' ' TYR . . . . . 0.658 ' CD1' HG12 ' A' ' 563' ' ' VAL . 5.4 m-85 -92.72 -3.06 55.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 75.439999999999998 110.994 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 588' ' ' TYR . . . . . 0.742 ' HE1' HG23 ' A' ' 590' ' ' VAL . 1.7 p90 -155.78 160.13 40.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 73.319999999999993 111.022 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 589' ' ' ASN . . . . . 0.411 ' ND2' ' HB2' ' A' ' 613' ' ' ARG . 29.9 m-80 -128.97 124.28 34.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 74.219999999999999 109.3 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 590' ' ' VAL . . . . . 0.742 HG23 ' HE1' ' A' ' 588' ' ' TYR . 12.6 t -73.58 134.38 29.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 72.150000000000006 109.278 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 30.8 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 63.210000000000001 110.006 179.944 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 604' ' ' TRP . . . . . 0.482 ' CE3' ' HB3' ' A' ' 623' ' ' MET . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 108.057 -1.09 . . . . 74.430000000000007 108.057 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 605' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.93 162.84 19.86 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 70.200000000000003 109.281 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 606' ' ' PRO . . . . . 0.598 ' O ' HD13 ' A' ' 624' ' ' ILE . 18.4 Cg_endo -74.98 -178.22 4.01 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.454 1.765 . . . . 71.219999999999999 111.019 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 607' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 622' ' ' GLN . . . -142.24 -86.11 0.09 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.461 1.101 . . . . 73.109999999999999 111.018 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 608' ' ' GLY . . . . . 0.694 ' HA3' HG13 ' A' ' 590' ' ' VAL . . . -160.06 144.83 10.46 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.972 -0.851 . . . . 40.350000000000001 110.972 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 21.4 t -52.51 128.18 11.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.494 0.761 . . . . 64.5 109.327 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 610' ' ' ILE . . . . . 0.611 HD11 ' HA ' ' A' ' 622' ' ' GLN . 0.7 OUTLIER -95.73 144.49 10.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.141 . . . . 73.0 109.314 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 611' ' ' SER . . . . . 0.405 ' O ' ' HA ' ' A' ' 588' ' ' TYR . 0.1 OUTLIER -141.77 123.99 15.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 72.540000000000006 109.961 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 612' ' ' CYS . . . . . 0.463 ' O ' ' N ' ' A' ' 616' ' ' GLY . 28.2 t -56.25 109.25 0.57 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 65.120000000000005 108.312 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 613' ' ' ARG . . . . . 0.411 ' HB2' ' ND2' ' A' ' 589' ' ' ASN . 9.3 ttt180 -64.93 -32.6 74.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 74.409999999999997 110.288 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 614' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -57.79 -47.68 81.86 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 73.120000000000005 109.268 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 615' ' ' CYS . . . . . 1.169 ' SG ' ' CB ' ' A' ' 559' ' ' CYS . 1.9 m -118.37 -73.46 0.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 72.310000000000002 108.281 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 616' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 154.49 -20.86 0.62 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.483 1.114 . . . . 64.25 111.042 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -42.17 102.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 0.775 . . . . 64.219999999999999 110.267 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 41.4 t -53.77 120.98 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 54.149999999999999 109.288 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 619' ' ' TRP . . . . . 0.629 ' CE2' ' HE3' ' A' ' 638' ' ' MET . 48.7 m0 -78.95 -41.23 29.82 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.98 -1.119 . . . . 72.430000000000007 107.98 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 620' ' ' GLY . . . . . . . . . . . . . . . 158.41 -112.01 0.51 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.5 1.125 . . . . 35.210000000000001 110.999 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 621' ' ' LEU . . . . . 0.738 HD22 ' C ' ' A' ' 621' ' ' LEU . 0.0 OUTLIER -147.18 154.23 40.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 0.753 . . . . 72.340000000000003 109.239 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 622' ' ' GLN . . . . . 0.621 ' N ' HD22 ' A' ' 621' ' ' LEU . 1.1 tt0 -85.75 135.96 33.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 74.209999999999994 110.322 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 623' ' ' MET . . . . . 0.561 ' HG3' HG21 ' A' ' 632' ' ' VAL . 9.2 mmt -115.3 145.35 42.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 73.150000000000006 110.988 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 624' ' ' ILE . . . . . 0.652 ' N ' HD12 ' A' ' 624' ' ' ILE . 3.9 mp -114.89 141.01 33.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 73.430000000000007 109.26 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 625' ' ' TYR . . . . . 0.565 ' CE2' ' HG3' ' A' ' 626' ' ' LYS . 8.4 t80 -147.77 114.44 6.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 75.239999999999995 110.981 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 626' ' ' LYS . . . . . 0.565 ' HG3' ' CE2' ' A' ' 625' ' ' TYR . 0.0 OUTLIER 66.63 17.39 10.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 50.009999999999998 109.278 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 627' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.1 p 85.34 39.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.088 . . . . 75.409999999999997 110.031 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 628' ' ' VAL . . . . . 0.705 HG12 ' HG ' ' A' ' 630' ' ' LEU . 54.5 t -125.42 123.12 64.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.153 . . . . 62.310000000000002 109.324 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 629' ' ' LYS . . . . . 0.411 ' HE3' ' CG1' ' A' ' 624' ' ' ILE . 5.0 mmmm -75.46 99.61 4.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 73.019999999999996 109.286 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 630' ' ' LEU . . . . . 0.831 HD22 HG22 ' A' ' 580' ' ' VAL . 32.8 mt -119.68 111.65 35.95 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 72.310000000000002 109.289 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 631' ' ' PRO . . . . . 0.745 ' HB2' HD11 ' A' ' 633' ' ' LEU . 18.4 Cg_endo -74.95 135.9 19.79 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.532 1.806 . . . . 73.510000000000005 111.001 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 632' ' ' VAL . . . . . 0.788 ' C ' HD13 ' A' ' 633' ' ' LEU . 18.8 t -103.28 100.13 9.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 74.510000000000005 109.26 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 633' ' ' LEU . . . . . 0.809 ' N ' HD13 ' A' ' 633' ' ' LEU . 0.0 OUTLIER -101.73 171.6 7.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 74.430000000000007 109.309 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 634' ' ' LYS . . . . . 0.439 ' CD ' ' O ' ' A' ' 619' ' ' TRP . 2.8 mtpt -96.09 -176.77 3.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.138 . . . . 72.329999999999998 109.311 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 635' ' ' VAL . . . . . 0.835 HG11 ' C ' ' A' ' 651' ' ' LYS . 7.5 p -107.16 -23.83 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 73.209999999999994 109.293 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 636' ' ' ARG . . . . . 0.736 ' O ' HD13 ' A' ' 557' ' ' ILE . 8.7 ptp180 -85.88 -4.32 59.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 72.230000000000004 110.293 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 4.4 m -109.8 -15.67 14.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 65.120000000000005 109.958 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 638' ' ' MET . . . . . 0.629 ' HE3' ' CE2' ' A' ' 619' ' ' TRP . 32.8 mmt -106.47 127.21 53.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 62.039999999999999 111.031 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 639' ' ' LEU . . . . . 0.928 HD21 ' HD2' ' A' ' 646' ' ' ARG . 8.6 tp -90.45 141.65 28.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 62.420000000000002 109.293 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 640' ' ' LEU . . . . . 0.455 HD13 ' C ' ' A' ' 639' ' ' LEU . 0.6 OUTLIER -108.99 93.7 4.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 73.230000000000004 109.287 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . 0.808 ' HB2' HD11 ' A' ' 555' ' ' LEU . 7.0 mt-10 -73.57 120.93 19.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 73.450000000000003 110.292 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 642' ' ' THR . . . . . 0.442 HG21 HD12 ' A' ' 647' ' ' ILE . 0.1 OUTLIER -131.69 159.76 70.49 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 72.150000000000006 110.404 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 1.69 7.48 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.442 1.759 . . . . 75.099999999999994 110.964 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 644' ' ' GLN . . . . . 0.437 ' NE2' ' O ' ' A' ' 546' ' ' GLN . 5.8 mt-30 -111.35 -4.7 14.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 62.450000000000003 110.309 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 123.79 144.16 6.44 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.496 1.122 . . . . 23.0 110.994 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 646' ' ' ARG . . . . . 0.928 ' HD2' HD21 ' A' ' 639' ' ' LEU . 51.7 mtm-85 -58.86 152.15 19.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 0.764 . . . . 72.0 110.278 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 647' ' ' ILE . . . . . 0.442 HD12 HG21 ' A' ' 642' ' ' THR . 15.6 mt -137.28 127.23 37.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 74.209999999999994 109.308 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 648' ' ' GLN . . . . . 0.713 ' OE1' HD12 ' A' ' 557' ' ' ILE . 0.0 OUTLIER -120.82 95.38 4.69 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.143 . . . . 54.340000000000003 110.285 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 649' ' ' ALA . . . . . . . . . . . . . . . -88.73 176.08 7.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 53.020000000000003 109.261 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 26.2 mttm -111.53 -29.56 7.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 73.430000000000007 109.31 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 651' ' ' LYS . . . . . 0.835 ' C ' HG11 ' A' ' 635' ' ' VAL . 0.6 OUTLIER -126.44 155.42 42.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.437 1.086 . . . . 74.299999999999997 109.298 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 652' ' ' TRP . . . . . 0.753 ' CE3' ' CD2' ' A' ' 577' ' ' HIS . 64.9 m95 -73.36 -6.88 49.03 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.967 -1.123 . . . . 73.019999999999996 107.967 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 28.8 t -73.0 -19.24 61.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 72.099999999999994 110.024 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 654' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 655' ' ' VAL . 3.2 mmm180 -101.57 -15.41 17.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 74.219999999999999 110.294 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 655' ' ' VAL . . . . . 0.674 HG23 ' HA ' ' A' ' 652' ' ' TRP . 2.3 t -40.0 127.06 1.62 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.436 1.085 . . . . 63.43 109.266 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 656' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -50.85 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.451 1.764 . . . . 65.439999999999998 110.999 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 657' ' ' PHE . . . . . 0.759 ' HB3' HG21 ' A' ' 552' ' ' VAL . 52.5 p90 -67.5 163.25 21.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 71.349999999999994 111.042 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 658' ' ' SER . . . . . 0.596 ' O ' HG11 ' A' ' 549' ' ' VAL . 0.7 OUTLIER -110.37 150.28 29.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 73.319999999999993 109.988 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 659' ' ' VAL . . . . . 0.687 HG23 ' HA ' ' A' ' 570' ' ' ARG . 0.1 OUTLIER -150.78 104.49 3.04 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 72.099999999999994 109.329 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 660' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 155.88 43.03 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.512 1.796 . . . . 72.099999999999994 111.01 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -42.52 161.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 74.150000000000006 109.313 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 662' ' ' PHE . . . . . 0.449 ' N ' ' O ' ' A' ' 571' ' ' LYS . 27.5 t80 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 72.0 110.988 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 546' ' ' GLN . . . . . 0.605 ' C ' ' CD1' ' A' ' 547' ' ' PHE . 10.0 mt-30 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.291 -0.263 . . . . 55.310000000000002 110.291 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 547' ' ' PHE . . . . . 0.645 ' N ' ' CD1' ' A' ' 547' ' ' PHE . 0.1 OUTLIER -153.12 98.67 2.75 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 70.319999999999993 110.984 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 548' ' ' PRO . . . . . 0.527 ' O ' HG23 ' A' ' 552' ' ' VAL . 18.3 Cg_endo -74.97 140.81 25.99 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.482 1.78 . . . . 72.400000000000006 111.003 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 549' ' ' VAL . . . . . 0.627 HG12 ' HB2' ' A' ' 657' ' ' PHE . 31.5 m -52.51 -46.75 48.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 72.409999999999997 109.3 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 550' ' ' GLU . . . . . 0.408 ' N ' HG23 ' A' ' 549' ' ' VAL . 2.4 pt-20 -54.21 -24.12 17.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 73.129999999999995 110.274 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 551' ' ' HIS . . . . . 0.508 ' CG ' ' HG2' ' A' ' 548' ' ' PRO . 35.7 m170 -99.54 -24.53 14.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.581 1.175 . . . . 73.109999999999999 109.592 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 552' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 548' ' ' PRO . 79.2 t -91.05 117.99 35.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 72.430000000000007 109.314 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 553' ' ' GLN . . . . . 0.594 ' HB3' HD11 ' A' ' 555' ' ' LEU . 9.2 tt0 -99.59 168.46 9.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 73.010000000000005 110.309 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 554' ' ' LEU . . . . . 0.921 HD11 HD23 ' A' ' 569' ' ' LEU . 1.9 mt -108.26 108.56 19.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 64.150000000000006 109.284 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 555' ' ' LEU . . . . . 0.85 HD12 ' N ' ' A' ' 555' ' ' LEU . 0.1 OUTLIER -121.87 174.34 6.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 63.219999999999999 109.295 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 556' ' ' CYS . . . . . 0.565 ' O ' ' N ' ' A' ' 560' ' ' MET . 3.8 t -107.46 108.57 19.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 114.992 -1.004 . . . . 72.510000000000005 110.95 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 557' ' ' ILE . . . . . 0.835 HD13 ' O ' ' A' ' 636' ' ' ARG . 0.7 OUTLIER -35.23 -32.64 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 64.129999999999995 109.306 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 558' ' ' ASN . . . . . 0.527 ' N ' ' O ' ' A' ' 556' ' ' CYS . 4.4 m-20 -84.93 -67.06 0.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 75.129999999999995 109.309 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 559' ' ' CYS . . . . . 1.151 ' CB ' ' SG ' ' A' ' 615' ' ' CYS . 4.1 m -64.08 -64.52 0.87 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 71.109999999999999 108.298 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 560' ' ' MET . . . . . 0.565 ' N ' ' O ' ' A' ' 556' ' ' CYS . 10.6 mtm 68.63 42.06 1.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 64.439999999999998 110.953 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 561' ' ' VAL . . . . . 0.486 HG22 ' ND2' ' A' ' 614' ' ' ASN . 0.9 OUTLIER -116.56 10.96 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 72.420000000000002 109.334 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 562' ' ' ALA . . . . . 0.416 ' HA ' ' HG ' ' A' ' 555' ' ' LEU . . . 66.11 109.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 51.240000000000002 109.285 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 563' ' ' VAL . . . . . 0.79 HG12 ' CD1' ' A' ' 587' ' ' TYR . 0.8 OUTLIER -103.34 -12.03 9.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 72.209999999999994 109.288 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -167.17 -142.25 3.39 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.5 1.125 . . . . 65.219999999999999 110.991 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 565' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -150.8 155.19 38.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 0.748 . . . . 72.430000000000007 109.606 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . -74.39 -12.43 82.11 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.531 1.144 . . . . 71.349999999999994 111.024 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 3.1 p -108.61 12.75 25.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 0.731 . . . . 72.5 110.004 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -112.59 -32.33 6.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 71.299999999999997 109.295 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 569' ' ' LEU . . . . . 0.921 HD23 HD11 ' A' ' 554' ' ' LEU . 0.1 OUTLIER -76.92 170.39 16.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 63.340000000000003 109.292 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 570' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -146.66 -175.34 4.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 73.450000000000003 110.301 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 571' ' ' LYS . . . . . 0.55 ' HD3' ' CE1' ' A' ' 577' ' ' HIS . 19.7 ttpt -126.75 158.64 35.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.127 . . . . 71.349999999999994 109.263 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 572' ' ' VAL . . . . . 1.013 HG23 HG21 ' A' ' 578' ' ' VAL . 2.4 t -121.35 111.16 30.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.163 . . . . 53.329999999999998 109.287 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 573' ' ' GLU . . . . . 0.417 ' HG2' HG12 ' A' ' 572' ' ' VAL . 6.3 pt-20 40.12 37.74 0.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 75.239999999999995 110.274 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 41.59 47.93 4.84 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.511 1.132 . . . . 74.510000000000005 110.978 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 2.7 m -119.21 -49.74 2.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 0.757 . . . . 50.200000000000003 110.409 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 23.1 m80 -146.47 106.15 3.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 64.430000000000007 109.615 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 577' ' ' HIS . . . . . 0.55 ' CE1' ' HD3' ' A' ' 571' ' ' LYS . 29.8 m-70 -46.41 126.72 8.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 75.209999999999994 109.556 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 578' ' ' VAL . . . . . 1.113 HG12 HG22 ' A' ' 632' ' ' VAL . 2.5 m -125.45 123.53 65.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 74.219999999999999 109.333 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 579' ' ' ASN . . . . . 0.637 ' ND2' HD23 ' A' ' 633' ' ' LEU . 0.9 OUTLIER -93.82 128.14 39.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 74.049999999999997 109.262 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 580' ' ' VAL . . . . . 0.508 HG22 HD22 ' A' ' 630' ' ' LEU . 2.4 t -104.64 134.15 46.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 62.450000000000003 109.322 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 581' ' ' ASN . . . . . 0.47 ' CB ' ' HB2' ' A' ' 584' ' ' PHE . 2.1 m120 176.38 130.05 0.17 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.463 1.102 . . . . 65.239999999999995 109.318 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 582' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -36.21 2.65 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.465 1.771 . . . . 74.540000000000006 110.983 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 583' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -75.96 -2.5 30.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 71.209999999999994 109.328 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 584' ' ' PHE . . . . . 0.605 ' CE2' HD21 ' A' ' 633' ' ' LEU . 3.4 t80 -71.9 -31.96 66.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 73.109999999999999 111.026 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 585' ' ' SER . . . . . 0.516 ' HA ' ' CE2' ' A' ' 588' ' ' TYR . 10.2 p -59.71 -21.4 60.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 73.420000000000002 109.953 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -87.39 -16.88 33.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 73.140000000000001 109.303 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 587' ' ' TYR . . . . . 0.79 ' CD1' HG12 ' A' ' 563' ' ' VAL . 10.4 m-85 -96.08 6.39 48.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 71.409999999999997 110.961 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 588' ' ' TYR . . . . . 0.607 ' HE1' HG23 ' A' ' 590' ' ' VAL . 2.0 p90 -165.53 157.6 14.94 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.457 1.098 . . . . 61.530000000000001 111.054 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 589' ' ' ASN . . . . . . . . . . . . . 26.9 m-80 -127.86 122.37 32.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 75.349999999999994 109.277 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 590' ' ' VAL . . . . . 0.753 HG13 ' HA3' ' A' ' 608' ' ' GLY . 16.4 t -74.71 133.57 31.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 73.120000000000005 109.306 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 13.0 t . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 75.120000000000005 109.945 -179.995 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 604' ' ' TRP . . . . . 0.571 ' HZ3' HG11 ' A' ' 578' ' ' VAL . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 108.01 -1.108 . . . . 74.329999999999998 108.01 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 605' ' ' LYS . . . . . . . . . . . . . 16.2 pttt -117.0 165.65 14.9 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 72.200000000000003 109.319 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 606' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 165.71 30.78 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.508 1.793 . . . . 60.009999999999998 110.998 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 607' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 622' ' ' GLN . . . -130.66 -101.78 0.92 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.498 1.124 . . . . 70.319999999999993 110.99 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 608' ' ' GLY . . . . . 0.753 ' HA3' HG13 ' A' ' 590' ' ' VAL . . . -146.73 146.49 16.48 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.94 -0.864 . . . . 51.009999999999998 110.94 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 37.2 t -55.08 124.61 8.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 0.764 . . . . 65.239999999999995 109.266 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 610' ' ' ILE . . . . . 0.556 HD11 ' HA ' ' A' ' 622' ' ' GLN . 0.7 OUTLIER -92.59 143.79 10.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 70.409999999999997 109.3 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.83 120.7 8.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 70.519999999999996 109.987 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 612' ' ' CYS . . . . . 0.503 ' HB2' ' CE2' ' A' ' 619' ' ' TRP . 37.8 t -47.84 121.1 3.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 73.329999999999998 108.297 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 8.3 ttt-85 -70.27 -27.82 64.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 75.420000000000002 110.312 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 614' ' ' ASN . . . . . 0.486 ' ND2' HG22 ' A' ' 561' ' ' VAL . 81.0 m-20 -66.42 -38.15 86.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 74.140000000000001 109.316 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 615' ' ' CYS . . . . . 1.151 ' SG ' ' CB ' ' A' ' 559' ' ' CYS . 0.0 OUTLIER -122.14 -76.05 0.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 74.049999999999997 108.294 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 616' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 148.46 -17.0 1.29 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.504 1.128 . . . . 54.030000000000001 111.047 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -42.09 102.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 0.748 . . . . 72.530000000000001 110.323 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 618' ' ' VAL . . . . . 0.446 ' O ' ' NZ ' ' A' ' 634' ' ' LYS . 25.0 t -53.98 103.42 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 55.229999999999997 109.298 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 619' ' ' TRP . . . . . 0.702 ' CE2' ' HE3' ' A' ' 638' ' ' MET . 37.0 m0 -62.5 -49.62 74.65 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.021 -1.103 . . . . 62.130000000000003 108.021 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 620' ' ' GLY . . . . . . . . . . . . . . . 174.56 -111.9 0.38 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.532 1.145 . . . . 65.349999999999994 110.947 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 621' ' ' LEU . . . . . 0.755 HD22 ' C ' ' A' ' 621' ' ' LEU . 0.0 OUTLIER -150.61 155.0 38.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 0.776 . . . . 64.540000000000006 109.253 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 622' ' ' GLN . . . . . 0.633 ' N ' HD22 ' A' ' 621' ' ' LEU . 0.9 OUTLIER -87.53 132.75 33.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 63.140000000000001 110.283 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 623' ' ' MET . . . . . 0.555 ' HB3' ' CE3' ' A' ' 604' ' ' TRP . 10.1 mmt -109.28 141.39 41.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 74.129999999999995 110.97 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 624' ' ' ILE . . . . . . . . . . . . . 4.4 mp -115.08 117.34 55.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 71.230000000000004 109.3 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 625' ' ' TYR . . . . . 0.599 ' C ' ' CD1' ' A' ' 625' ' ' TYR . 0.1 OUTLIER -113.09 115.42 28.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 64.430000000000007 111.029 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 626' ' ' LYS . . . . . 0.506 ' CA ' ' HE2' ' A' ' 626' ' ' LYS . 0.8 OUTLIER 60.35 22.41 11.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 71.209999999999994 109.292 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 627' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.2 p 84.29 42.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 40.140000000000001 109.993 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 628' ' ' VAL . . . . . 0.886 HG12 ' HG ' ' A' ' 630' ' ' LEU . 53.4 t -126.38 112.7 30.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 74.439999999999998 109.315 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 6.0 mmmm -62.4 98.23 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 72.5 109.296 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 630' ' ' LEU . . . . . 0.886 ' HG ' HG12 ' A' ' 628' ' ' VAL . 96.4 mt -125.82 112.09 24.82 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 61.240000000000002 109.28 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 631' ' ' PRO . . . . . 0.445 ' HA ' ' HA ' ' A' ' 622' ' ' GLN . 18.4 Cg_endo -74.98 162.18 37.6 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.473 1.775 . . . . 52.420000000000002 110.971 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 632' ' ' VAL . . . . . 1.113 HG22 HG12 ' A' ' 578' ' ' VAL . 21.7 t -134.78 102.34 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 75.409999999999997 109.32 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 633' ' ' LEU . . . . . 0.767 ' N ' HD13 ' A' ' 633' ' ' LEU . 0.1 OUTLIER -98.44 171.86 7.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 54.200000000000003 109.315 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 634' ' ' LYS . . . . . 0.533 ' HZ3' ' HA ' ' A' ' 619' ' ' TRP . 2.9 mtmm -105.4 -172.99 2.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 74.329999999999998 109.29 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 635' ' ' VAL . . . . . 0.924 HG11 ' C ' ' A' ' 651' ' ' LYS . 7.0 p -109.19 -12.97 10.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 74.140000000000001 109.302 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 636' ' ' ARG . . . . . 0.835 ' O ' HD13 ' A' ' 557' ' ' ILE . 0.2 OUTLIER -80.71 -35.73 33.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 75.430000000000007 110.288 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 1.3 t -89.79 -7.9 53.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.579 1.174 . . . . 73.150000000000006 110.037 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 638' ' ' MET . . . . . 0.702 ' HE3' ' CE2' ' A' ' 619' ' ' TRP . 32.9 mmt -109.96 124.72 51.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 71.109999999999999 111.018 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 639' ' ' LEU . . . . . 0.75 HD21 ' HB3' ' A' ' 646' ' ' ARG . 0.6 OUTLIER -100.04 142.67 31.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 74.140000000000001 109.307 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 640' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -106.68 119.12 38.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 72.530000000000001 109.324 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . 0.495 ' CD ' HD21 ' A' ' 555' ' ' LEU . 8.6 mt-10 -90.3 128.56 36.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 75.420000000000002 110.318 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 642' ' ' THR . . . . . 0.564 HG21 HD12 ' A' ' 647' ' ' ILE . 0.5 OUTLIER -140.29 160.41 59.91 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 55.509999999999998 110.346 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 1.94 7.18 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.454 1.765 . . . . 75.109999999999999 110.995 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 644' ' ' GLN . . . . . 0.589 ' NE2' ' CE2' ' A' ' 547' ' ' PHE . 24.5 mt-30 -107.44 -9.48 15.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 75.439999999999998 110.277 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 125.16 143.69 6.12 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.456 1.098 . . . . 74.209999999999994 111.007 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 646' ' ' ARG . . . . . 0.75 ' HB3' HD21 ' A' ' 639' ' ' LEU . 51.3 mtm180 -50.74 150.6 2.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 0.787 . . . . 72.040000000000006 110.328 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 647' ' ' ILE . . . . . 0.564 HD12 HG21 ' A' ' 642' ' ' THR . 51.2 mt -136.71 120.21 22.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 74.349999999999994 109.308 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 648' ' ' GLN . . . . . 0.428 ' NE2' ' O ' ' A' ' 636' ' ' ARG . 0.9 OUTLIER -120.48 110.62 16.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 70.030000000000001 110.335 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 649' ' ' ALA . . . . . . . . . . . . . . . -120.63 154.36 35.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.089 . . . . 31.539999999999999 109.28 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 8.9 mttp -98.71 9.02 44.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 72.099999999999994 109.307 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 651' ' ' LYS . . . . . 0.924 ' C ' HG11 ' A' ' 635' ' ' VAL . 0.9 OUTLIER -145.79 138.85 26.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 73.530000000000001 109.258 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 652' ' ' TRP . . . . . 0.546 ' N ' HG11 ' A' ' 635' ' ' VAL . 42.0 m95 -70.79 -9.25 57.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 72.420000000000002 107.994 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 42.3 m -65.87 -10.49 38.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 73.030000000000001 109.962 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 654' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 655' ' ' VAL . 5.1 mmt180 -106.77 -23.33 12.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 74.319999999999993 110.273 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 655' ' ' VAL . . . . . 0.769 HG13 ' CD2' ' A' ' 657' ' ' PHE . 2.6 t -40.24 117.38 1.33 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 62.340000000000003 109.28 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 656' ' ' PRO . . . . . 0.505 ' HB2' ' CG ' ' A' ' 547' ' ' PHE . 18.5 Cg_endo -74.9 -42.44 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.501 1.79 . . . . 74.430000000000007 111.006 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 657' ' ' PHE . . . . . 0.895 ' CE1' HG22 ' A' ' 659' ' ' VAL . 37.7 p90 -69.52 155.31 40.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 72.109999999999999 110.965 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 658' ' ' SER . . . . . 0.503 ' O ' HG11 ' A' ' 549' ' ' VAL . 0.7 OUTLIER -85.69 146.03 27.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 72.329999999999998 109.976 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 659' ' ' VAL . . . . . 0.895 HG22 ' CE1' ' A' ' 657' ' ' PHE . 2.0 t -126.53 100.53 28.64 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 72.549999999999997 109.303 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 660' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 147.36 34.04 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.451 1.764 . . . . 75.400000000000006 111.014 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 661' ' ' ASP . . . . . 0.404 ' HA ' ' O ' ' A' ' 571' ' ' LYS . 5.0 p-10 -70.1 169.38 13.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 71.239999999999995 109.317 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 662' ' ' PHE . . . . . 0.442 ' N ' ' O ' ' A' ' 571' ' ' LYS . 35.2 t80 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.1 . . . . 74.319999999999993 110.98 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 546' ' ' GLN . . . . . 0.522 ' C ' ' CD1' ' A' ' 547' ' ' PHE . 2.8 pt20 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 110.309 -0.256 . . . . 73.319999999999993 110.309 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 547' ' ' PHE . . . . . 0.582 ' N ' ' CD1' ' A' ' 547' ' ' PHE . 0.7 OUTLIER -145.56 103.03 4.27 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 74.299999999999997 110.96 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 548' ' ' PRO . . . . . 0.454 ' HB2' ' CG ' ' A' ' 550' ' ' GLU . 18.3 Cg_endo -75.03 141.05 26.07 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.444 1.76 . . . . 74.099999999999994 110.99 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 549' ' ' VAL . . . . . 0.534 HG12 ' HB2' ' A' ' 657' ' ' PHE . 31.2 m -49.16 -42.57 15.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 74.140000000000001 109.305 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 550' ' ' GLU . . . . . 0.454 ' CG ' ' HB2' ' A' ' 548' ' ' PRO . 2.9 pt-20 -54.35 -33.88 59.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 74.519999999999996 110.272 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -82.49 -26.73 32.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 74.140000000000001 109.596 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 552' ' ' VAL . . . . . 0.72 HG11 ' CD2' ' A' ' 657' ' ' PHE . 45.9 t -87.42 121.49 38.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 73.329999999999998 109.303 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 553' ' ' GLN . . . . . 0.495 HE21 HD21 ' A' ' 555' ' ' LEU . 14.5 tt0 -110.85 145.03 38.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 65.109999999999999 110.278 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 554' ' ' LEU . . . . . 0.988 HD11 HD23 ' A' ' 569' ' ' LEU . 1.3 mt -86.08 113.18 21.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 71.340000000000003 109.277 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 555' ' ' LEU . . . . . 0.856 HD11 ' HB2' ' A' ' 641' ' ' GLU . 0.2 OUTLIER -133.81 -179.85 5.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 65.219999999999999 109.265 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 556' ' ' CYS . . . . . 0.548 ' O ' ' N ' ' A' ' 560' ' ' MET . 5.1 t -107.26 102.49 11.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.008 -0.996 . . . . 52.229999999999997 110.895 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 557' ' ' ILE . . . . . 0.784 HD13 ' O ' ' A' ' 636' ' ' ARG . 1.2 pt -35.62 -33.37 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 72.439999999999998 109.298 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 558' ' ' ASN . . . . . 0.501 ' N ' ' O ' ' A' ' 556' ' ' CYS . 2.9 m120 -76.38 -62.56 1.58 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 71.439999999999998 109.336 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 559' ' ' CYS . . . . . 1.123 ' CB ' ' SG ' ' A' ' 615' ' ' CYS . 11.6 m -76.04 -67.94 0.63 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.521 1.138 . . . . 64.150000000000006 108.278 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 560' ' ' MET . . . . . 0.548 ' N ' ' O ' ' A' ' 556' ' ' CYS . 24.9 mtm 76.57 48.55 0.07 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.474 1.109 . . . . 64.319999999999993 111.032 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 561' ' ' VAL . . . . . 0.656 ' O ' ' HB3' ' A' ' 562' ' ' ALA . 1.0 OUTLIER -113.59 -2.71 10.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 55.140000000000001 109.264 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 562' ' ' ALA . . . . . 0.817 ' CA ' HD23 ' A' ' 555' ' ' LEU . . . 83.39 108.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.145 . . . . 64.310000000000002 109.249 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 563' ' ' VAL . . . . . 0.679 HG12 ' CD1' ' A' ' 587' ' ' TYR . 1.6 m -105.92 -8.24 10.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 71.209999999999994 109.28 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -178.29 -159.93 23.73 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.494 1.121 . . . . 63.399999999999999 110.995 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 565' ' ' HIS . . . . . . . . . . . . . 70.7 m80 -126.97 145.21 50.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.537 0.786 . . . . 73.230000000000004 109.57 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . -75.8 0.54 61.42 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.498 1.124 . . . . 71.420000000000002 111.008 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 567' ' ' SER . . . . . 0.513 ' CB ' HG23 ' A' ' 549' ' ' VAL . 24.9 p -118.79 8.24 11.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 0.759 . . . . 72.439999999999998 110.011 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -111.96 -17.01 12.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 43.340000000000003 109.276 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 569' ' ' LEU . . . . . 0.988 HD23 HD11 ' A' ' 554' ' ' LEU . 0.1 OUTLIER -87.51 163.84 16.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 71.340000000000003 109.284 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 570' ' ' ARG . . . . . 0.404 ' CD ' ' HA ' ' A' ' 662' ' ' PHE . 48.7 mtt-85 -147.19 177.63 9.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 72.549999999999997 110.282 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 571' ' ' LYS . . . . . 0.57 ' HD3' ' CE1' ' A' ' 577' ' ' HIS . 20.9 mtmt -108.1 119.87 40.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 73.510000000000005 109.263 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 572' ' ' VAL . . . . . 0.769 HG11 ' CE3' ' A' ' 604' ' ' TRP . 2.5 t -77.97 114.94 19.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 75.25 109.255 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 573' ' ' GLU . . . . . 0.569 ' HG2' HG12 ' A' ' 572' ' ' VAL . 13.1 pt-20 45.69 34.6 1.82 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 73.420000000000002 110.341 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 46.02 41.36 10.78 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.518 1.136 . . . . 72.109999999999999 110.978 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 1.8 m -108.64 -53.97 2.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 0.736 . . . . 73.129999999999995 110.402 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 24.7 m170 -147.54 144.31 28.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 65.319999999999993 109.602 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 577' ' ' HIS . . . . . 0.726 ' CG ' ' CE3' ' A' ' 652' ' ' TRP . 16.3 m-70 -70.86 128.57 36.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 74.310000000000002 109.6 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 578' ' ' VAL . . . . . 0.861 HG12 ' HA ' ' A' ' 632' ' ' VAL . 15.6 m -137.11 128.05 40.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 54.329999999999998 109.275 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 579' ' ' ASN . . . . . 0.453 ' HA ' ' CB ' ' A' ' 569' ' ' LEU . 2.3 t-20 -91.83 125.39 36.52 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 73.319999999999993 109.302 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 580' ' ' VAL . . . . . 0.641 HG22 HD22 ' A' ' 630' ' ' LEU . 2.5 t -100.08 129.74 50.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 73.409999999999997 109.299 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 581' ' ' ASN . . . . . 0.427 ' ND2' ' HD2' ' A' ' 582' ' ' PRO . 3.7 t30 176.25 141.85 0.22 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 74.120000000000005 109.305 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 582' ' ' PRO . . . . . 0.427 ' HD2' ' ND2' ' A' ' 581' ' ' ASN . 18.3 Cg_endo -75.02 -42.49 0.5 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.466 1.771 . . . . 60.200000000000003 111.015 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 583' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -58.88 -16.66 18.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 63.310000000000002 109.29 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 584' ' ' PHE . . . . . 0.491 ' O ' ' CD2' ' A' ' 588' ' ' TYR . 1.6 t80 -63.51 -33.49 75.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.111 . . . . 75.299999999999997 110.955 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 47.8 t -60.11 -28.66 68.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 60.409999999999997 109.966 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -87.04 -7.6 57.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 54.130000000000003 109.299 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 587' ' ' TYR . . . . . 0.679 ' CD1' HG12 ' A' ' 563' ' ' VAL . 2.4 m-85 -102.01 0.43 35.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 61.409999999999997 110.977 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 588' ' ' TYR . . . . . 0.744 ' HE1' HG23 ' A' ' 590' ' ' VAL . 0.9 OUTLIER -162.09 158.55 24.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 73.230000000000004 111.048 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 589' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -132.76 117.59 18.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 74.340000000000003 109.297 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 590' ' ' VAL . . . . . 0.744 HG23 ' HE1' ' A' ' 588' ' ' TYR . 12.9 t -72.57 141.65 16.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.127 . . . . 72.329999999999998 109.31 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 8.9 t . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 71.239999999999995 109.962 -179.957 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 604' ' ' TRP . . . . . 0.769 ' CE3' HG11 ' A' ' 572' ' ' VAL . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 108.024 -1.102 . . . . 71.239999999999995 108.024 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 605' ' ' LYS . . . . . . . . . . . . . 14.9 ptmt -105.45 156.08 36.93 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 74.239999999999995 109.351 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 606' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 175.0 11.82 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.465 1.771 . . . . 71.430000000000007 110.967 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 607' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 622' ' ' GLN . . . -136.97 -95.87 0.42 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.474 1.109 . . . . 62.329999999999998 110.988 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 608' ' ' GLY . . . . . 0.504 ' HA3' HG13 ' A' ' 590' ' ' VAL . . . -158.34 147.71 15.88 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 111.023 -0.831 . . . . 65.310000000000002 111.023 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 47.4 t -56.91 123.59 8.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.447 0.734 . . . . 74.340000000000003 109.303 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 610' ' ' ILE . . . . . 0.561 HG23 ' CD1' ' A' ' 588' ' ' TYR . 0.9 OUTLIER -91.2 144.67 8.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 70.409999999999997 109.318 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.31 133.55 33.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 73.120000000000005 109.983 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 612' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 616' ' ' GLY . 21.8 t -60.43 116.28 4.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 75.530000000000001 108.268 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 12.5 ttt180 -71.25 -25.22 62.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 71.340000000000003 110.323 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 614' ' ' ASN . . . . . 0.486 ' ND2' HG22 ' A' ' 561' ' ' VAL . 95.8 m-20 -67.38 -32.31 73.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 71.340000000000003 109.253 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 615' ' ' CYS . . . . . 1.123 ' SG ' ' CB ' ' A' ' 559' ' ' CYS . 0.8 OUTLIER -133.96 -73.76 0.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 72.340000000000003 108.266 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 616' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 153.58 -20.81 0.71 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.483 1.114 . . . . 65.420000000000002 110.986 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -42.27 104.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 0.79 . . . . 61.130000000000003 110.289 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 98.4 t -54.4 131.32 16.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 60.240000000000002 109.26 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 619' ' ' TRP . . . . . 0.721 ' CE2' ' HE3' ' A' ' 638' ' ' MET . 50.7 m0 -90.71 -53.26 4.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 74.310000000000002 108.0 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 620' ' ' GLY . . . . . . . . . . . . . . . 179.54 -107.44 0.22 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.548 1.155 . . . . 55.130000000000003 110.981 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 621' ' ' LEU . . . . . 0.8 ' C ' HD23 ' A' ' 621' ' ' LEU . 0.0 OUTLIER -157.34 161.38 39.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 0.761 . . . . 72.510000000000005 109.275 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 622' ' ' GLN . . . . . 0.416 ' O ' ' N ' ' A' ' 607' ' ' GLY . 0.1 OUTLIER -89.54 137.67 32.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 62.32 110.345 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 623' ' ' MET . . . . . 0.715 ' HG2' HD21 ' A' ' 621' ' ' LEU . 4.4 mmt -124.77 132.4 53.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 44.399999999999999 110.996 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 624' ' ' ILE . . . . . 0.419 ' N ' HD12 ' A' ' 624' ' ' ILE . 5.4 mp -103.12 145.49 12.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 73.519999999999996 109.293 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 625' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -153.79 107.84 3.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 75.030000000000001 111.007 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 626' ' ' LYS . . . . . 0.499 ' O ' ' CB ' ' A' ' 627' ' ' SER . 1.2 mmpt? 69.73 18.89 7.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.145 . . . . 64.299999999999997 109.31 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 627' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.2 p 85.66 40.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 74.209999999999994 109.993 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 628' ' ' VAL . . . . . 0.885 HG12 ' HG ' ' A' ' 630' ' ' LEU . 47.3 t -129.68 113.12 26.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 74.219999999999999 109.256 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm -72.37 99.38 2.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 74.510000000000005 109.298 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 630' ' ' LEU . . . . . 0.885 ' HG ' HG12 ' A' ' 628' ' ' VAL . 17.4 mt -114.62 111.85 45.97 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 74.450000000000003 109.307 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 631' ' ' PRO . . . . . 0.651 ' HB2' HD11 ' A' ' 633' ' ' LEU . 18.3 Cg_endo -74.96 137.34 21.68 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.506 1.793 . . . . 61.240000000000002 111.012 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 632' ' ' VAL . . . . . 0.861 ' HA ' HG12 ' A' ' 578' ' ' VAL . 57.8 t -99.96 98.37 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 74.209999999999994 109.294 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 633' ' ' LEU . . . . . 0.763 ' N ' HD13 ' A' ' 633' ' ' LEU . 0.1 OUTLIER -99.42 171.75 7.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 63.329999999999998 109.31 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 634' ' ' LYS . . . . . 0.703 ' HZ1' ' HD2' ' A' ' 636' ' ' ARG . 0.5 OUTLIER -114.37 -170.87 1.81 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 73.310000000000002 109.269 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 635' ' ' VAL . . . . . 0.779 HG13 ' CE2' ' A' ' 652' ' ' TRP . 0.2 OUTLIER -106.24 -44.1 7.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.429 1.08 . . . . 74.120000000000005 109.298 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 636' ' ' ARG . . . . . 0.784 ' O ' HD13 ' A' ' 557' ' ' ILE . 3.3 ptt180 -62.84 -12.39 24.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 60.25 110.327 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 1.9 t -106.87 -17.58 14.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 75.420000000000002 110.001 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 638' ' ' MET . . . . . 0.721 ' HE3' ' CE2' ' A' ' 619' ' ' TRP . 34.4 mmt -106.99 134.24 50.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.148 . . . . 65.420000000000002 110.981 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 639' ' ' LEU . . . . . 0.717 HD12 ' H ' ' A' ' 640' ' ' LEU . 12.1 tp -96.46 138.67 33.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 73.099999999999994 109.367 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 640' ' ' LEU . . . . . 0.717 ' H ' HD12 ' A' ' 639' ' ' LEU . 20.4 mt -107.65 91.68 3.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.132 . . . . 75.420000000000002 109.319 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . 0.856 ' HB2' HD11 ' A' ' 555' ' ' LEU . 6.2 mt-10 -74.07 122.83 23.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 75.099999999999994 110.285 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 642' ' ' THR . . . . . 0.498 HG21 HD12 ' A' ' 647' ' ' ILE . 0.1 OUTLIER -133.93 159.65 71.61 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 73.200000000000003 110.434 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 1.2 8.03 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.503 1.791 . . . . 75.510000000000005 111.027 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 644' ' ' GLN . . . . . 0.43 ' NE2' ' O ' ' A' ' 546' ' ' GLN . 13.2 mt-30 -111.05 -1.98 16.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 73.439999999999998 110.337 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 120.96 136.51 5.1 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.539 1.15 . . . . 72.209999999999994 110.999 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 646' ' ' ARG . . . . . 0.661 ' CD ' HD21 ' A' ' 639' ' ' LEU . 7.4 mtp180 -53.37 148.0 9.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 0.767 . . . . 60.340000000000003 110.289 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 647' ' ' ILE . . . . . 0.498 HD12 HG21 ' A' ' 642' ' ' THR . 12.6 mt -136.42 121.43 26.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 74.239999999999995 109.324 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 648' ' ' GLN . . . . . 0.48 HE21 HD12 ' A' ' 557' ' ' ILE . 0.8 OUTLIER -114.75 110.1 19.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 75.450000000000003 110.281 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 649' ' ' ALA . . . . . . . . . . . . . . . -114.94 162.15 17.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 70.420000000000002 109.323 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 650' ' ' LYS . . . . . 0.534 ' C ' HG23 ' A' ' 635' ' ' VAL . 22.1 mttp -111.09 -14.06 13.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 53.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 651' ' ' LYS . . . . . 0.458 ' CB ' ' NH1' ' A' ' 654' ' ' ARG . 20.9 mmmt -121.88 128.38 51.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 62.119999999999997 109.292 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 652' ' ' TRP . . . . . 0.779 ' CE2' HG13 ' A' ' 635' ' ' VAL . 59.5 m95 -65.29 -19.91 66.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 72.310000000000002 108.03 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 2.7 t -66.48 -16.57 64.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 73.140000000000001 109.991 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 654' ' ' ARG . . . . . 0.458 ' NH1' ' CB ' ' A' ' 651' ' ' LYS . 10.0 mmt-85 -103.09 -25.31 13.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 73.340000000000003 110.287 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 655' ' ' VAL . . . . . 0.713 HG13 ' CD2' ' A' ' 657' ' ' PHE . 2.1 t -40.08 133.05 1.51 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 73.519999999999996 109.325 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 656' ' ' PRO . . . . . 0.553 ' HD2' HD13 ' A' ' 640' ' ' LEU . 18.4 Cg_endo -75.03 -55.17 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.508 1.794 . . . . 51.340000000000003 111.007 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 657' ' ' PHE . . . . . 0.906 ' CE1' HG22 ' A' ' 659' ' ' VAL . 20.5 p90 -60.5 148.62 37.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 72.049999999999997 110.98 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.95 147.76 27.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 73.400000000000006 110.028 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 659' ' ' VAL . . . . . 0.906 HG22 ' CE1' ' A' ' 657' ' ' PHE . 1.5 t -125.59 103.55 28.36 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 64.450000000000003 109.261 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 660' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 147.01 33.38 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.506 1.792 . . . . 74.400000000000006 111.039 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 661' ' ' ASP . . . . . 0.426 ' HA ' ' O ' ' A' ' 571' ' ' LYS . 11.7 m-20 -69.26 140.83 54.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 74.129999999999995 109.289 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 662' ' ' PHE . . . . . 0.499 ' CE2' HD21 ' A' ' 630' ' ' LEU . 5.2 t80 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 71.219999999999999 111.005 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 546' ' ' GLN . . . . . 0.543 ' C ' ' CD1' ' A' ' 547' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.346 -0.242 . . . . 72.409999999999997 110.346 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 547' ' ' PHE . . . . . 0.543 ' CD1' ' C ' ' A' ' 546' ' ' GLN . 2.4 m-85 -151.66 103.4 2.88 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 74.329999999999998 111.001 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 548' ' ' PRO . . . . . 0.441 ' HB2' ' CG ' ' A' ' 550' ' ' GLU . 18.2 Cg_endo -75.04 139.24 23.95 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.462 1.769 . . . . 64.400000000000006 110.958 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 549' ' ' VAL . . . . . 0.612 HG12 ' HB2' ' A' ' 657' ' ' PHE . 29.0 m -49.07 -41.93 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 73.239999999999995 109.344 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 550' ' ' GLU . . . . . 0.441 ' CG ' ' HB2' ' A' ' 548' ' ' PRO . 1.7 pt-20 -54.51 -34.39 61.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 62.140000000000001 110.253 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -83.86 -19.26 35.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 62.310000000000002 109.626 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 552' ' ' VAL . . . . . 0.673 HG21 ' HB3' ' A' ' 657' ' ' PHE . 41.3 t -93.46 129.77 43.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 73.230000000000004 109.323 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 553' ' ' GLN . . . . . 0.631 ' O ' HD12 ' A' ' 555' ' ' LEU . 12.8 tt0 -119.15 140.89 49.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 71.409999999999997 110.295 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 554' ' ' LEU . . . . . 1.005 HD11 HD23 ' A' ' 569' ' ' LEU . 0.9 OUTLIER -82.56 112.28 19.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 71.319999999999993 109.336 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 555' ' ' LEU . . . . . 0.631 HD12 ' O ' ' A' ' 553' ' ' GLN . 0.3 OUTLIER -133.07 179.77 5.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 62.32 109.266 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 556' ' ' CYS . . . . . 0.533 ' O ' ' N ' ' A' ' 560' ' ' MET . 5.1 t -104.57 101.63 11.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 114.983 -1.008 . . . . 72.530000000000001 110.963 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 557' ' ' ILE . . . . . 0.952 HD13 ' O ' ' A' ' 636' ' ' ARG . 1.5 pt -31.94 -37.95 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 74.25 109.27 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 558' ' ' ASN . . . . . 0.518 ' N ' ' O ' ' A' ' 556' ' ' CYS . 2.7 m120 -74.95 -62.04 1.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 75.450000000000003 109.261 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 559' ' ' CYS . . . . . 1.055 ' CB ' ' SG ' ' A' ' 615' ' ' CYS . 3.2 m -73.97 -70.74 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 74.420000000000002 108.338 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 560' ' ' MET . . . . . 0.533 ' N ' ' O ' ' A' ' 556' ' ' CYS . 28.5 mtm 77.47 41.63 0.14 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 55.43 111.022 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 561' ' ' VAL . . . . . 0.682 ' O ' ' HB3' ' A' ' 562' ' ' ALA . 1.0 OUTLIER -105.8 -2.16 9.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 53.210000000000001 109.276 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 562' ' ' ALA . . . . . 0.682 ' HB3' ' O ' ' A' ' 561' ' ' VAL . . . 84.46 102.96 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 75.340000000000003 109.293 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 563' ' ' VAL . . . . . 0.642 HG12 ' CD1' ' A' ' 587' ' ' TYR . 0.9 OUTLIER -102.91 -6.4 9.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 51.32 109.298 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -177.45 -162.07 27.02 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.447 1.092 . . . . 55.409999999999997 111.011 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 565' ' ' HIS . . . . . . . . . . . . . 14.5 m-70 -126.41 148.64 49.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 0.765 . . . . 63.520000000000003 109.632 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . -73.21 -10.35 78.26 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.51 1.131 . . . . 74.549999999999997 110.983 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -113.83 8.93 17.49 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.485 0.756 . . . . 55.340000000000003 109.986 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -106.43 -18.41 13.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 74.140000000000001 109.317 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 569' ' ' LEU . . . . . 1.005 HD23 HD11 ' A' ' 554' ' ' LEU . 0.1 OUTLIER -90.42 164.2 14.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 64.129999999999995 109.356 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 570' ' ' ARG . . . . . 0.44 ' CB ' ' HA ' ' A' ' 662' ' ' PHE . 13.7 mmt180 -142.29 -172.94 3.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 71.310000000000002 110.288 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 571' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 660' ' ' PRO . 17.0 ttmt -116.93 118.81 33.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 75.349999999999994 109.34 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 572' ' ' VAL . . . . . 0.999 HG23 HG21 ' A' ' 578' ' ' VAL . 2.4 t -77.78 112.73 16.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 63.420000000000002 109.251 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 573' ' ' GLU . . . . . 0.591 ' HG2' HG12 ' A' ' 572' ' ' VAL . 9.8 pt-20 46.52 34.01 2.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 72.319999999999993 110.332 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 44.49 39.63 5.88 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.5 1.125 . . . . 63.340000000000003 110.995 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 575' ' ' THR . . . . . 0.405 ' CB ' ' HG3' ' A' ' 573' ' ' GLU . 11.1 m -109.9 -50.64 2.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 0.745 . . . . 74.310000000000002 110.411 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 33.8 m80 -149.38 131.62 15.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 70.519999999999996 109.612 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 577' ' ' HIS . . . . . 0.712 ' CD2' ' CD2' ' A' ' 652' ' ' TRP . 11.1 m-70 -57.71 143.36 42.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 73.150000000000006 109.618 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 578' ' ' VAL . . . . . 0.999 HG21 HG23 ' A' ' 572' ' ' VAL . 15.6 m -149.67 130.98 4.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 63.520000000000003 109.324 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 579' ' ' ASN . . . . . 0.459 ' HA ' ' CB ' ' A' ' 569' ' ' LEU . 6.8 t-20 -95.44 129.61 42.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 64.409999999999997 109.34 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 580' ' ' VAL . . . . . 0.608 HG13 HD23 ' A' ' 630' ' ' LEU . 2.5 t -107.68 130.3 60.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 75.430000000000007 109.283 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 581' ' ' ASN . . . . . 0.43 ' ND2' ' HD2' ' A' ' 582' ' ' PRO . 4.3 t30 176.29 142.66 0.23 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 71.200000000000003 109.32 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 582' ' ' PRO . . . . . 0.43 ' HD2' ' ND2' ' A' ' 581' ' ' ASN . 18.2 Cg_endo -75.04 -42.52 0.49 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.503 1.791 . . . . 71.340000000000003 110.967 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 583' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -59.43 -16.32 22.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 75.439999999999998 109.292 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 584' ' ' PHE . . . . . 0.523 ' O ' ' CD2' ' A' ' 588' ' ' TYR . 1.5 t80 -63.37 -36.13 82.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 73.209999999999994 111.014 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 5.3 t -58.89 -27.52 65.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 73.439999999999998 110.003 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -87.38 -11.97 47.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 52.130000000000003 109.298 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 587' ' ' TYR . . . . . 0.642 ' CD1' HG12 ' A' ' 563' ' ' VAL . 2.4 m-85 -97.56 7.22 46.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 54.109999999999999 110.962 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 588' ' ' TYR . . . . . 0.875 ' CD1' HG23 ' A' ' 610' ' ' ILE . 1.2 p90 -168.51 159.1 10.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 73.150000000000006 110.978 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 589' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -130.38 130.74 44.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 63.32 109.32 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 590' ' ' VAL . . . . . 0.637 HG13 ' HA3' ' A' ' 608' ' ' GLY . 21.3 t -72.46 134.46 29.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 70.140000000000001 109.306 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 98.8 p . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.123 . . . . 64.109999999999999 109.991 179.972 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 604' ' ' TRP . . . . . 0.687 ' CZ3' HG11 ' A' ' 572' ' ' VAL . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 108.009 -1.108 . . . . 74.519999999999996 108.009 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 605' ' ' LYS . . . . . 0.99 ' NZ ' HD13 ' A' ' 624' ' ' ILE . 7.4 ptmm? -109.83 157.49 37.53 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 60.43 109.297 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 606' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 176.24 10.17 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.473 1.775 . . . . 74.329999999999998 110.988 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 607' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 622' ' ' GLN . . . -141.0 -108.78 0.74 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.493 1.121 . . . . 73.299999999999997 110.998 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 608' ' ' GLY . . . . . 0.637 ' HA3' HG13 ' A' ' 590' ' ' VAL . . . -146.75 149.8 21.99 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.961 -0.856 . . . . 51.329999999999998 110.961 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 609' ' ' VAL . . . . . 0.485 HG13 ' O ' ' A' ' 620' ' ' GLY . 11.8 t -56.72 126.12 13.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.457 0.74 . . . . 64.010000000000005 109.332 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 610' ' ' ILE . . . . . 0.875 HG23 ' CD1' ' A' ' 588' ' ' TYR . 0.9 OUTLIER -96.23 157.5 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 71.140000000000001 109.332 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -158.35 119.56 3.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 63.25 109.996 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 612' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 616' ' ' GLY . 11.8 t -44.74 117.92 1.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 74.420000000000002 108.328 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 2.4 ttt-85 -71.16 -24.86 62.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 74.010000000000005 110.303 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 614' ' ' ASN . . . . . 0.536 ' ND2' HG22 ' A' ' 561' ' ' VAL . 69.3 m-20 -67.89 -37.53 81.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 71.340000000000003 109.283 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 615' ' ' CYS . . . . . 1.055 ' SG ' ' CB ' ' A' ' 559' ' ' CYS . 1.4 m -123.11 -73.86 0.63 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 72.430000000000007 108.317 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 616' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 148.26 -18.22 1.35 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.542 1.151 . . . . 73.140000000000001 110.991 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -43.04 103.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 0.756 . . . . 73.310000000000002 110.338 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 24.9 t -49.53 120.99 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 71.200000000000003 109.305 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 619' ' ' TRP . . . . . 0.728 ' CE2' ' HE3' ' A' ' 638' ' ' MET . 38.7 m0 -80.74 -43.08 20.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 74.409999999999997 107.998 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 620' ' ' GLY . . . . . 0.485 ' O ' HG13 ' A' ' 609' ' ' VAL . . . 161.01 -100.68 0.19 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.475 1.109 . . . . 52.509999999999998 110.999 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 621' ' ' LEU . . . . . 0.644 HD22 ' C ' ' A' ' 621' ' ' LEU . 0.0 OUTLIER -160.77 159.07 29.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 0.788 . . . . 74.150000000000006 109.258 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 622' ' ' GLN . . . . . 0.476 ' N ' HD22 ' A' ' 621' ' ' LEU . 0.3 OUTLIER -93.16 147.16 23.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 75.219999999999999 110.29 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 623' ' ' MET . . . . . 0.603 ' SD ' ' CZ2' ' A' ' 604' ' ' TRP . 12.1 mtp -132.9 139.7 47.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 73.5 110.951 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 624' ' ' ILE . . . . . 0.99 HD13 ' NZ ' ' A' ' 605' ' ' LYS . 4.9 mp -108.1 147.05 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 73.230000000000004 109.308 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 625' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -150.65 120.48 7.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 72.409999999999997 111.008 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 626' ' ' LYS . . . . . 0.521 ' O ' ' CB ' ' A' ' 627' ' ' SER . 0.0 OUTLIER 58.54 17.71 5.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 74.040000000000006 109.269 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 627' ' ' SER . . . . . 0.521 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.2 p 86.42 38.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 72.129999999999995 109.959 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 628' ' ' VAL . . . . . 0.859 HG12 ' HG ' ' A' ' 630' ' ' LEU . 46.8 t -127.33 109.27 20.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.12 . . . . 72.549999999999997 109.334 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 3.0 mmmm -64.07 99.19 0.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 65.040000000000006 109.309 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 630' ' ' LEU . . . . . 0.859 ' HG ' HG12 ' A' ' 628' ' ' VAL . 25.9 mt -118.47 111.54 38.02 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 74.530000000000001 109.319 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 631' ' ' PRO . . . . . 0.436 ' HB2' HD11 ' A' ' 633' ' ' LEU . 18.3 Cg_endo -74.98 165.95 30.24 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.475 1.776 . . . . 72.120000000000005 111.027 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 632' ' ' VAL . . . . . 0.804 ' C ' HD13 ' A' ' 633' ' ' LEU . 15.7 t -131.36 102.37 6.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 73.129999999999995 109.332 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 633' ' ' LEU . . . . . 0.806 ' N ' HD13 ' A' ' 633' ' ' LEU . 0.0 OUTLIER -102.85 171.21 7.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.47 1.106 . . . . 45.5 109.327 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 634' ' ' LYS . . . . . 0.487 ' CD ' ' O ' ' A' ' 619' ' ' TRP . 4.8 mtpt -99.31 -172.54 2.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 71.329999999999998 109.317 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 635' ' ' VAL . . . . . 0.69 HG21 HG23 ' A' ' 655' ' ' VAL . 9.0 p -109.61 -19.86 6.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 71.120000000000005 109.319 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 636' ' ' ARG . . . . . 0.952 ' O ' HD13 ' A' ' 557' ' ' ILE . 0.8 OUTLIER -84.65 -29.34 25.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 71.540000000000006 110.284 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 1.9 t -88.07 -9.39 53.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 71.200000000000003 110.022 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 638' ' ' MET . . . . . 0.728 ' HE3' ' CE2' ' A' ' 619' ' ' TRP . 32.7 mmt -109.95 127.95 55.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 74.010000000000005 111.015 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 639' ' ' LEU . . . . . 0.868 HD12 ' H ' ' A' ' 640' ' ' LEU . 6.2 tp -96.13 150.09 20.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 74.019999999999996 109.333 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 640' ' ' LEU . . . . . 0.868 ' H ' HD12 ' A' ' 639' ' ' LEU . 13.8 mt -117.23 100.23 7.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 73.010000000000005 109.266 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . 0.527 ' HB2' HD11 ' A' ' 555' ' ' LEU . 4.6 mt-10 -74.09 129.55 38.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 73.430000000000007 110.308 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 642' ' ' THR . . . . . 0.735 HG21 HD12 ' A' ' 647' ' ' ILE . 7.6 p -137.93 158.86 70.58 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 63.409999999999997 110.423 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -18.18 18.92 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.517 1.798 . . . . 75.099999999999994 111.016 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 644' ' ' GLN . . . . . 0.437 ' NE2' ' O ' ' A' ' 546' ' ' GLN . 5.9 mt-30 -91.41 -5.79 53.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 72.400000000000006 110.311 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 125.06 126.63 3.04 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.532 1.145 . . . . 60.32 111.0 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 646' ' ' ARG . . . . . 0.436 ' HB2' ' NH1' ' A' ' 646' ' ' ARG . 3.0 mtp-105 -42.1 151.61 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 0.77 . . . . 71.010000000000005 110.306 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 647' ' ' ILE . . . . . 0.735 HD12 HG21 ' A' ' 642' ' ' THR . 10.6 mt -136.27 137.45 48.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 43.520000000000003 109.302 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 648' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -135.57 112.63 10.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 71.420000000000002 110.285 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 649' ' ' ALA . . . . . 0.459 ' CB ' ' HB2' ' A' ' 654' ' ' ARG . . . -106.34 177.17 4.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.555 1.16 . . . . 74.430000000000007 109.282 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 35.6 mttt -110.85 -18.55 13.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 70.049999999999997 109.293 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 651' ' ' LYS . . . . . 0.674 ' CA ' HG11 ' A' ' 635' ' ' VAL . 0.0 OUTLIER -137.19 142.73 42.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 74.209999999999994 109.288 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 652' ' ' TRP . . . . . 0.712 ' CD2' ' CD2' ' A' ' 577' ' ' HIS . 36.2 m95 -59.61 -17.98 37.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 75.420000000000002 107.986 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 4.9 m -62.66 -13.14 28.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 63.450000000000003 109.946 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 654' ' ' ARG . . . . . 0.459 ' HB2' ' CB ' ' A' ' 649' ' ' ALA . 16.1 mmt-85 -107.31 -25.02 11.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 62.039999999999999 110.271 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 655' ' ' VAL . . . . . 0.751 HG13 ' CD2' ' A' ' 657' ' ' PHE . 2.3 t -41.64 125.66 2.41 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 74.450000000000003 109.321 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 656' ' ' PRO . . . . . 0.682 ' HD2' HD13 ' A' ' 640' ' ' LEU . 18.5 Cg_endo -74.95 -50.36 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.516 1.798 . . . . 74.549999999999997 111.028 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 657' ' ' PHE . . . . . 0.951 ' CE1' HG22 ' A' ' 659' ' ' VAL . 18.2 p90 -63.01 149.09 45.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 43.439999999999998 111.002 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 658' ' ' SER . . . . . 0.401 ' O ' HG11 ' A' ' 549' ' ' VAL . 0.7 OUTLIER -84.1 145.57 28.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 71.409999999999997 109.999 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 659' ' ' VAL . . . . . 0.951 HG22 ' CE1' ' A' ' 657' ' ' PHE . 1.8 t -121.76 101.61 42.47 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 72.430000000000007 109.27 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 660' ' ' PRO . . . . . 0.426 ' O ' ' N ' ' A' ' 571' ' ' LYS . 18.3 Cg_endo -75.0 149.87 37.3 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.52 1.8 . . . . 64.120000000000005 111.015 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 661' ' ' ASP . . . . . 0.423 ' HA ' ' O ' ' A' ' 571' ' ' LYS . 11.2 p-10 -61.28 145.24 52.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 60.450000000000003 109.341 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 662' ' ' PHE . . . . . 0.597 ' CE2' HD21 ' A' ' 630' ' ' LEU . 24.7 t80 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 51.140000000000001 110.999 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 546' ' ' GLN . . . . . 0.54 ' C ' ' CD1' ' A' ' 547' ' ' PHE . 9.7 mt-30 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.254 -0.276 . . . . 44.140000000000001 110.254 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 547' ' ' PHE . . . . . 0.623 ' N ' ' CD1' ' A' ' 547' ' ' PHE . 0.1 OUTLIER -149.18 104.78 3.34 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 75.349999999999994 110.982 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 548' ' ' PRO . . . . . 0.438 ' HB2' ' CG ' ' A' ' 550' ' ' GLU . 18.3 Cg_endo -74.95 137.74 22.24 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.445 1.761 . . . . 75.030000000000001 111.035 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 549' ' ' VAL . . . . . 0.474 HG12 ' HB2' ' A' ' 657' ' ' PHE . 35.5 m -48.59 -40.09 10.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.088 . . . . 54.439999999999998 109.305 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 550' ' ' GLU . . . . . 0.438 ' CG ' ' HB2' ' A' ' 548' ' ' PRO . 1.9 pt-20 -58.06 -34.76 70.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 74.420000000000002 110.292 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 8.8 m170 -82.96 -16.1 48.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 71.209999999999994 109.602 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 552' ' ' VAL . . . . . 0.856 HG21 ' HB3' ' A' ' 657' ' ' PHE . 70.5 t -95.09 130.96 43.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 74.209999999999994 109.283 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 553' ' ' GLN . . . . . 0.411 ' HG3' ' O ' ' A' ' 564' ' ' GLY . 7.8 tt0 -118.71 151.27 38.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 73.209999999999994 110.332 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 554' ' ' LEU . . . . . 0.774 HD11 HD23 ' A' ' 569' ' ' LEU . 1.3 mt -93.91 114.61 26.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 51.5 109.343 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 555' ' ' LEU . . . . . 0.999 HD12 ' O ' ' A' ' 639' ' ' LEU . 0.2 OUTLIER -134.16 177.16 7.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 73.219999999999999 109.296 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 556' ' ' CYS . . . . . 0.539 ' O ' ' N ' ' A' ' 560' ' ' MET . 5.4 t -104.98 103.0 12.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 114.999 -1.001 . . . . 52.43 110.904 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 557' ' ' ILE . . . . . 0.478 ' C ' ' O ' ' A' ' 556' ' ' CYS . 1.4 pt -34.87 -34.38 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.117 . . . . 71.239999999999995 109.31 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 558' ' ' ASN . . . . . 0.503 ' N ' ' O ' ' A' ' 556' ' ' CYS . 3.1 m120 -76.4 -62.58 1.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 75.519999999999996 109.312 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 559' ' ' CYS . . . . . 1.079 ' CB ' ' SG ' ' A' ' 615' ' ' CYS . 3.6 m -75.42 -68.97 0.51 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 65.219999999999999 108.283 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 560' ' ' MET . . . . . 0.539 ' N ' ' O ' ' A' ' 556' ' ' CYS . 26.7 mtm 77.23 47.18 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 65.140000000000001 111.032 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 561' ' ' VAL . . . . . 0.653 ' O ' ' HB3' ' A' ' 562' ' ' ALA . 1.0 OUTLIER -113.33 -0.25 9.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 65.329999999999998 109.325 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 562' ' ' ALA . . . . . 0.653 ' HB3' ' O ' ' A' ' 561' ' ' VAL . . . 81.65 102.16 0.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.543 1.152 . . . . 73.340000000000003 109.27 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 563' ' ' VAL . . . . . 0.606 HG12 ' CD1' ' A' ' 587' ' ' TYR . 2.2 m -99.88 -4.09 9.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 63.329999999999998 109.275 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 564' ' ' GLY . . . . . 0.411 ' O ' ' HG3' ' A' ' 553' ' ' GLN . . . 177.88 -159.08 24.59 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.521 1.138 . . . . 74.230000000000004 111.007 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 565' ' ' HIS . . . . . . . . . . . . . 61.9 m80 -126.45 149.18 49.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 0.766 . . . . 74.430000000000007 109.587 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 566' ' ' GLY . . . . . 0.473 ' O ' HD11 ' A' ' 569' ' ' LEU . . . -72.85 -18.01 78.69 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.462 1.101 . . . . 72.040000000000006 110.973 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 8.9 t -101.54 13.26 35.5 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 0.763 . . . . 70.329999999999998 110.04 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -115.03 -9.83 12.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 65.200000000000003 109.287 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 569' ' ' LEU . . . . . 0.774 HD23 HD11 ' A' ' 554' ' ' LEU . 0.2 OUTLIER -89.99 165.17 14.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 45.409999999999997 109.281 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 570' ' ' ARG . . . . . . . . . . . . . 26.1 mmt180 -142.21 -172.76 3.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 72.329999999999998 110.363 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 571' ' ' LYS . . . . . 0.573 ' HE2' ' CE1' ' A' ' 577' ' ' HIS . 17.0 ttmt -129.41 116.05 18.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.553 1.158 . . . . 72.319999999999993 109.298 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 572' ' ' VAL . . . . . 1.033 HG23 HG21 ' A' ' 578' ' ' VAL . 2.3 t -77.83 110.07 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 63.539999999999999 109.357 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 573' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 38.76 39.43 0.34 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 73.150000000000006 110.297 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 41.73 49.2 5.04 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.437 1.086 . . . . 64.409999999999997 111.016 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 575' ' ' THR . . . . . 0.42 ' O ' ' CG ' ' A' ' 576' ' ' HIS . 1.2 m -111.71 -49.1 3.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 0.769 . . . . 72.209999999999994 110.389 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 576' ' ' HIS . . . . . 0.771 ' O ' HG13 ' A' ' 578' ' ' VAL . 37.3 m80 -157.05 111.75 2.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 73.310000000000002 109.556 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 577' ' ' HIS . . . . . 1.035 ' CD2' HG11 ' A' ' 659' ' ' VAL . 4.5 m80 -39.92 120.62 1.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 72.120000000000005 109.601 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 578' ' ' VAL . . . . . 1.033 HG21 HG23 ' A' ' 572' ' ' VAL . 15.1 m -121.97 108.41 21.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 70.200000000000003 109.253 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 579' ' ' ASN . . . . . 0.483 ' HA ' ' CB ' ' A' ' 569' ' ' LEU . 1.2 t-20 -79.7 108.35 13.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 64.420000000000002 109.309 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 580' ' ' VAL . . . . . 0.616 HG22 HD22 ' A' ' 630' ' ' LEU . 3.3 t -82.66 145.31 8.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 73.150000000000006 109.275 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 581' ' ' ASN . . . . . 0.481 ' OD1' ' N ' ' A' ' 584' ' ' PHE . 11.3 t-20 170.71 124.66 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 53.340000000000003 109.297 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 582' ' ' PRO . . . . . 0.431 ' HD2' ' ND2' ' A' ' 581' ' ' ASN . 18.4 Cg_endo -75.02 -24.55 12.68 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.518 1.799 . . . . 75.120000000000005 111.006 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 583' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -85.72 9.08 17.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 63.539999999999999 109.326 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 584' ' ' PHE . . . . . 0.797 ' CZ ' ' CZ3' ' A' ' 619' ' ' TRP . 1.4 t80 -84.64 -24.15 29.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.547 1.154 . . . . 74.109999999999999 111.025 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 9.1 p -61.0 -28.69 69.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 43.030000000000001 110.008 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -87.24 -8.63 56.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 63.409999999999997 109.295 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 587' ' ' TYR . . . . . 0.606 ' CD1' HG12 ' A' ' 563' ' ' VAL . 4.2 m-85 -101.86 4.92 40.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 74.030000000000001 110.963 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 588' ' ' TYR . . . . . 0.858 ' CD1' HG23 ' A' ' 610' ' ' ILE . 1.3 p90 -169.82 158.48 7.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 73.140000000000001 110.988 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 589' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 -129.87 132.03 46.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 74.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 590' ' ' VAL . . . . . 0.608 HG13 ' HA3' ' A' ' 608' ' ' GLY . 8.1 t -72.45 134.74 29.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 75.140000000000001 109.292 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 31.2 t . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 71.420000000000002 109.96 -179.978 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 604' ' ' TRP . . . . . 0.595 ' CE3' HG11 ' A' ' 572' ' ' VAL . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 107.979 -1.119 . . . . 63.310000000000002 107.979 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 605' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.16 153.28 47.29 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 64.530000000000001 109.285 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 606' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 161.44 38.8 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.492 1.785 . . . . 64.040000000000006 111.036 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 607' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 622' ' ' GLN . . . -127.39 -87.75 0.6 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.517 1.136 . . . . 63.039999999999999 110.981 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 608' ' ' GLY . . . . . 0.608 ' HA3' HG13 ' A' ' 590' ' ' VAL . . . -157.52 144.46 10.61 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.994 -0.842 . . . . 74.140000000000001 110.994 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 45.8 t -55.41 129.33 16.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 72.549999999999997 109.319 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 610' ' ' ILE . . . . . 0.858 HG23 ' CD1' ' A' ' 588' ' ' TYR . 0.8 OUTLIER -95.84 146.93 6.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.508 1.13 . . . . 71.120000000000005 109.304 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -146.08 122.86 11.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.095 . . . . 74.409999999999997 109.986 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 612' ' ' CYS . . . . . 0.456 ' O ' ' N ' ' A' ' 616' ' ' GLY . 17.8 t -49.57 120.09 3.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.1 . . . . 63.109999999999999 108.29 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 11.4 ttt-85 -71.79 -24.73 61.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 75.340000000000003 110.309 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 614' ' ' ASN . . . . . 0.518 ' ND2' HG22 ' A' ' 561' ' ' VAL . 91.5 m-20 -69.29 -32.03 70.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 75.319999999999993 109.304 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 615' ' ' CYS . . . . . 1.079 ' SG ' ' CB ' ' A' ' 559' ' ' CYS . 0.8 OUTLIER -130.35 -74.76 0.54 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 63.25 108.299 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 616' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 149.0 -18.63 1.22 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.566 1.166 . . . . 75.409999999999997 111.004 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -42.79 102.38 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 0.777 . . . . 73.549999999999997 110.295 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 92.2 t -49.62 112.43 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 52.210000000000001 109.31 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 619' ' ' TRP . . . . . 0.797 ' CZ3' ' CZ ' ' A' ' 584' ' ' PHE . 30.3 m0 -69.16 -54.45 14.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 63.409999999999997 107.973 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 620' ' ' GLY . . . . . . . . . . . . . . . -179.62 -102.94 0.17 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.518 1.136 . . . . 74.239999999999995 110.986 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 621' ' ' LEU . . . . . 0.782 HD22 ' C ' ' A' ' 621' ' ' LEU . 0.0 OUTLIER -163.46 154.06 16.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 0.771 . . . . 60.420000000000002 109.315 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 622' ' ' GLN . . . . . 0.674 ' N ' HD22 ' A' ' 621' ' ' LEU . 0.0 OUTLIER -85.58 132.82 34.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 71.129999999999995 110.313 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 623' ' ' MET . . . . . 0.753 ' HG2' HD21 ' A' ' 621' ' ' LEU . 3.2 mmt -124.37 149.28 46.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 73.129999999999995 110.978 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 624' ' ' ILE . . . . . 0.708 ' N ' HD12 ' A' ' 624' ' ' ILE . 3.4 mp -119.38 132.83 68.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 72.120000000000005 109.302 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 625' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -135.71 124.9 24.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 73.540000000000006 110.984 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 626' ' ' LYS . . . . . 0.514 ' CE ' ' HA ' ' A' ' 626' ' ' LYS . 0.1 OUTLIER 55.71 19.27 3.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.435 1.084 . . . . 73.0 109.271 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 627' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.1 p 85.17 38.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 72.530000000000001 109.975 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 628' ' ' VAL . . . . . 0.888 HG11 ' CZ ' ' A' ' 662' ' ' PHE . 53.2 t -126.68 122.61 61.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 72.099999999999994 109.263 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 8.1 mmmm -71.79 96.52 1.65 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 75.25 109.288 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 630' ' ' LEU . . . . . 0.839 ' HG ' HG12 ' A' ' 628' ' ' VAL . 20.7 mt -121.58 111.3 33.2 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 73.510000000000005 109.3 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 631' ' ' PRO . . . . . 0.745 ' HB2' HD21 ' A' ' 633' ' ' LEU . 18.4 Cg_endo -74.95 156.38 43.23 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.497 1.788 . . . . 73.409999999999997 111.028 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 632' ' ' VAL . . . . . 0.929 ' C ' HD23 ' A' ' 633' ' ' LEU . 84.0 t -113.13 105.27 18.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 74.430000000000007 109.322 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 633' ' ' LEU . . . . . 0.929 HD23 ' C ' ' A' ' 632' ' ' VAL . 0.4 OUTLIER -109.6 171.65 7.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 63.100000000000001 109.325 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 634' ' ' LYS . . . . . 0.472 ' C ' ' CZ2' ' A' ' 652' ' ' TRP . 0.0 OUTLIER -112.7 -178.17 3.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 73.450000000000003 109.274 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 635' ' ' VAL . . . . . 0.993 HG11 ' C ' ' A' ' 651' ' ' LYS . 5.9 p -107.56 5.25 9.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.113 . . . . 34.450000000000003 109.239 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 636' ' ' ARG . . . . . 0.466 ' HG3' ' CE ' ' A' ' 634' ' ' LYS . 3.6 ptt180 -111.85 1.65 16.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 62.340000000000003 110.294 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 58.9 m -120.32 -4.79 9.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 71.200000000000003 109.979 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 638' ' ' MET . . . . . 0.581 ' HE3' ' CE2' ' A' ' 619' ' ' TRP . 30.1 mmt -114.55 148.51 37.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 55.530000000000001 111.017 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 639' ' ' LEU . . . . . 0.999 ' O ' HD12 ' A' ' 555' ' ' LEU . 4.1 tp -114.23 129.97 56.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 55.409999999999997 109.303 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 640' ' ' LEU . . . . . 0.711 HD13 ' HD2' ' A' ' 656' ' ' PRO . 12.8 mt -99.38 99.95 10.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 72.049999999999997 109.295 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . 0.691 ' HB2' HD11 ' A' ' 555' ' ' LEU . 5.3 mt-10 -73.74 120.5 19.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.103 . . . . 74.239999999999995 110.257 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 642' ' ' THR . . . . . 0.881 HG21 HD12 ' A' ' 647' ' ' ILE . 0.3 OUTLIER -128.56 160.11 64.35 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 54.219999999999999 110.424 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 3.29 5.77 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.48 1.779 . . . . 62.100000000000001 110.976 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -115.62 -0.76 12.9 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.548 1.155 . . . . 73.349999999999994 110.313 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 118.65 129.56 4.02 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.551 1.157 . . . . 55.229999999999997 110.955 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 646' ' ' ARG . . . . . 0.556 ' HB3' HD11 ' A' ' 639' ' ' LEU . 0.1 OUTLIER -45.13 142.61 1.88 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 0.766 . . . . 65.319999999999993 110.3 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 647' ' ' ILE . . . . . 0.881 HD12 HG21 ' A' ' 642' ' ' THR . 13.3 mt -122.1 136.75 57.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 75.510000000000005 109.312 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 648' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -134.07 112.52 11.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 72.230000000000004 110.284 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 649' ' ' ALA . . . . . 0.434 ' CB ' ' HB2' ' A' ' 654' ' ' ARG . . . -111.53 179.85 3.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 32.43 109.295 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 650' ' ' LYS . . . . . 0.416 ' C ' ' CG1' ' A' ' 635' ' ' VAL . 30.3 mttt -112.02 -23.96 10.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 71.219999999999999 109.288 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 651' ' ' LYS . . . . . 0.993 ' C ' HG11 ' A' ' 635' ' ' VAL . 0.6 OUTLIER -124.85 143.79 50.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 73.530000000000001 109.313 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 652' ' ' TRP . . . . . 0.78 ' CE3' ' CD2' ' A' ' 577' ' ' HIS . 72.6 m95 -64.54 -16.05 61.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.167 . . . . 64.129999999999995 107.989 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 4.7 m -65.43 -10.86 37.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 65.519999999999996 109.967 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 654' ' ' ARG . . . . . 0.434 ' HB2' ' CB ' ' A' ' 649' ' ' ALA . 11.0 mmt180 -103.48 -27.35 12.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 62.549999999999997 110.334 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 655' ' ' VAL . . . . . 0.88 HG23 HG21 ' A' ' 635' ' ' VAL . 2.4 t -40.31 123.59 1.73 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.132 . . . . 65.049999999999997 109.272 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 656' ' ' PRO . . . . . 0.711 ' HD2' HD13 ' A' ' 640' ' ' LEU . 18.3 Cg_endo -74.98 -48.66 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.479 1.779 . . . . 74.439999999999998 111.014 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 657' ' ' PHE . . . . . 1.116 ' CE1' HG22 ' A' ' 659' ' ' VAL . 19.0 p90 -64.15 148.25 50.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 74.040000000000006 111.004 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.11 138.27 39.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 72.420000000000002 110.012 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 659' ' ' VAL . . . . . 1.116 HG22 ' CE1' ' A' ' 657' ' ' PHE . 2.5 t -118.57 99.77 51.37 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 73.25 109.29 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 660' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 147.32 33.65 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.487 1.782 . . . . 63.310000000000002 110.999 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 661' ' ' ASP . . . . . 0.422 ' HA ' ' O ' ' A' ' 571' ' ' LYS . 0.5 OUTLIER -75.15 145.58 42.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 72.019999999999996 109.26 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 662' ' ' PHE . . . . . 0.888 ' CZ ' HG11 ' A' ' 628' ' ' VAL . 27.0 t80 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 72.109999999999999 110.978 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 546' ' ' GLN . . . . . 0.538 ' O ' ' CG ' ' A' ' 547' ' ' PHE . 1.3 pt20 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.269 -0.271 . . . . 72.230000000000004 110.269 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 547' ' ' PHE . . . . . 0.538 ' CG ' ' O ' ' A' ' 546' ' ' GLN . 94.6 m-85 -162.55 94.53 1.21 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 72.120000000000005 110.977 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 548' ' ' PRO . . . . . 0.45 ' HB2' ' CG ' ' A' ' 550' ' ' GLU . 18.3 Cg_endo -74.98 134.96 18.5 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.527 1.804 . . . . 71.030000000000001 111.022 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 549' ' ' VAL . . . . . 0.551 HG12 ' HB2' ' A' ' 657' ' ' PHE . 31.4 m -47.83 -41.38 8.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 64.120000000000005 109.26 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 550' ' ' GLU . . . . . 0.45 ' CG ' ' HB2' ' A' ' 548' ' ' PRO . 2.7 pt-20 -55.95 -35.94 67.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 73.310000000000002 110.288 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 14.6 m170 -82.98 -26.0 31.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 73.310000000000002 109.604 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 552' ' ' VAL . . . . . 0.614 HG21 ' HB3' ' A' ' 657' ' ' PHE . 55.9 t -87.16 120.63 36.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 72.209999999999994 109.29 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 553' ' ' GLN . . . . . 0.545 HE21 HD21 ' A' ' 555' ' ' LEU . 16.9 tt0 -112.26 142.94 44.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 64.530000000000001 110.297 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 554' ' ' LEU . . . . . 0.962 HD11 HD23 ' A' ' 569' ' ' LEU . 2.0 mt -83.22 113.95 21.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 74.120000000000005 109.301 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 555' ' ' LEU . . . . . 0.822 HD23 ' CA ' ' A' ' 562' ' ' ALA . 0.3 OUTLIER -132.8 179.78 5.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.09 . . . . 72.430000000000007 109.307 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 556' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 559' ' ' CYS . 14.0 t -107.94 105.19 14.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.005 -0.998 . . . . 50.549999999999997 110.895 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 557' ' ' ILE . . . . . 0.956 ' HA ' HD23 ' A' ' 639' ' ' LEU . 1.2 pt -37.81 -32.91 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.51 1.131 . . . . 41.039999999999999 109.289 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 558' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 556' ' ' CYS . 8.7 m-20 -83.33 -48.32 10.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 63.119999999999997 109.317 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 559' ' ' CYS . . . . . 1.39 ' SG ' ' CB ' ' A' ' 615' ' ' CYS . 0.5 OUTLIER -123.3 70.05 1.03 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 73.5 108.283 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 560' ' ' MET . . . . . 0.459 ' N ' ' O ' ' A' ' 556' ' ' CYS . 6.5 mtm -63.27 71.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 55.109999999999999 111.009 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 561' ' ' VAL . . . . . 0.619 HG13 ' O ' ' A' ' 559' ' ' CYS . 0.9 OUTLIER -112.58 2.89 8.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.122 . . . . 72.439999999999998 109.3 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 562' ' ' ALA . . . . . 0.822 ' CA ' HD23 ' A' ' 555' ' ' LEU . . . 75.22 105.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 65.140000000000001 109.29 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 563' ' ' VAL . . . . . 0.682 HG12 ' CD1' ' A' ' 587' ' ' TYR . 1.6 m -104.36 -7.98 9.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 74.040000000000006 109.317 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -176.18 -161.81 25.94 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.479 1.112 . . . . 54.130000000000003 111.014 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 565' ' ' HIS . . . . . . . . . . . . . 27.5 m80 -126.76 146.85 50.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 0.737 . . . . 75.219999999999999 109.597 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . -72.96 -9.12 75.31 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.549 1.156 . . . . 63.509999999999998 111.026 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 9.4 t -108.98 10.48 26.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 0.765 . . . . 73.040000000000006 109.992 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -111.4 -26.74 8.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 70.040000000000006 109.292 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 569' ' ' LEU . . . . . 0.962 HD23 HD11 ' A' ' 554' ' ' LEU . 0.1 OUTLIER -78.54 165.7 23.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 63.340000000000003 109.344 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 570' ' ' ARG . . . . . 0.422 ' CG ' ' O ' ' A' ' 569' ' ' LEU . 6.0 mtt85 -163.78 151.27 12.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.095 . . . . 75.450000000000003 110.242 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 571' ' ' LYS . . . . . 0.562 ' HE2' ' CE1' ' A' ' 577' ' ' HIS . 13.8 ttmt -74.32 158.79 33.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 75.049999999999997 109.265 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 572' ' ' VAL . . . . . 0.523 HG23 HG22 ' A' ' 578' ' ' VAL . 2.9 t -98.58 99.73 9.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.535 1.147 . . . . 75.099999999999994 109.302 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 573' ' ' GLU . . . . . 0.449 ' CG ' ' O ' ' A' ' 572' ' ' VAL . 10.5 pt-20 45.66 25.55 0.27 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.524 1.14 . . . . 75.019999999999996 110.326 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 574' ' ' GLY . . . . . 0.404 ' N ' ' C ' ' A' ' 572' ' ' VAL . . . 75.49 41.08 30.97 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.496 1.123 . . . . 33.200000000000003 111.05 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 575' ' ' THR . . . . . 0.413 ' N ' ' O ' ' A' ' 572' ' ' VAL . 21.9 m -113.6 -74.91 0.61 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 0.794 . . . . 72.129999999999995 110.437 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 19.0 m80 -126.0 177.59 6.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 74.299999999999997 109.579 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 577' ' ' HIS . . . . . 0.948 ' CD2' HG11 ' A' ' 659' ' ' VAL . 25.8 m80 -100.98 128.11 47.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 75.319999999999993 109.631 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 578' ' ' VAL . . . . . 0.623 HG12 HG22 ' A' ' 632' ' ' VAL . 16.0 m -142.29 111.29 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 64.400000000000006 109.334 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 579' ' ' ASN . . . . . 0.489 ' HA ' ' CB ' ' A' ' 569' ' ' LEU . 1.9 t-20 -81.14 110.82 17.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 74.510000000000005 109.316 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 580' ' ' VAL . . . . . 0.88 HG22 HD22 ' A' ' 630' ' ' LEU . 2.7 t -79.21 137.63 21.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.538 1.149 . . . . 53.210000000000001 109.296 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 581' ' ' ASN . . . . . 0.442 ' CB ' ' HB2' ' A' ' 584' ' ' PHE . 3.0 m120 177.46 129.39 0.2 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 62.539999999999999 109.262 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 582' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -30.74 6.81 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.523 1.802 . . . . 73.439999999999998 111.025 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 583' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -82.3 -1.79 50.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 65.239999999999995 109.335 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 584' ' ' PHE . . . . . 0.476 ' CE1' ' OD1' ' A' ' 579' ' ' ASN . 3.4 t80 -70.94 -32.76 69.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 63.299999999999997 111.022 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 585' ' ' SER . . . . . 0.522 ' HA ' ' CE2' ' A' ' 588' ' ' TYR . 30.7 t -60.37 -23.76 64.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 64.319999999999993 110.015 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -87.41 -12.79 45.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.57 1.169 . . . . 75.530000000000001 109.32 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 587' ' ' TYR . . . . . 0.682 ' CD1' HG12 ' A' ' 563' ' ' VAL . 5.0 m-85 -97.88 7.65 46.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 71.310000000000002 111.004 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 588' ' ' TYR . . . . . 0.838 ' CD1' HG23 ' A' ' 610' ' ' ILE . 1.1 p90 -166.72 158.92 13.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 72.430000000000007 110.979 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 589' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -127.55 129.29 47.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 73.299999999999997 109.276 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 590' ' ' VAL . . . . . 0.683 HG23 ' HE1' ' A' ' 588' ' ' TYR . 10.0 t -72.43 135.15 28.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 31.350000000000001 109.294 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 4.7 m . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 75.299999999999997 109.98 179.979 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 604' ' ' TRP . . . . . 0.526 ' CZ3' ' SD ' ' A' ' 623' ' ' MET . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 107.956 -1.127 . . . . 74.230000000000004 107.956 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 605' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -94.33 153.59 40.49 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 64.310000000000002 109.275 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 606' ' ' PRO . . . . . 0.403 ' O ' ' CD1' ' A' ' 624' ' ' ILE . 18.3 Cg_endo -74.98 -162.53 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.549 1.816 . . . . 74.209999999999994 111.016 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 607' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 622' ' ' GLN . . . -148.82 -110.78 0.57 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.494 1.121 . . . . 73.239999999999995 111.001 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 608' ' ' GLY . . . . . 0.415 ' O ' ' HA ' ' A' ' 621' ' ' LEU . . . -143.37 158.81 27.39 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.975 -0.85 . . . . 72.299999999999997 110.975 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 76.6 t -64.27 127.8 25.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.533 0.784 . . . . 63.420000000000002 109.313 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 610' ' ' ILE . . . . . 0.838 HG23 ' CD1' ' A' ' 588' ' ' TYR . 0.8 OUTLIER -97.33 156.81 3.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 74.150000000000006 109.274 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -155.89 128.35 7.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 62.329999999999998 110.002 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 612' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 616' ' ' GLY . 17.0 t -54.9 119.58 5.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 71.329999999999998 108.276 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -74.3 -27.5 60.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 75.519999999999996 110.328 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 614' ' ' ASN . . . . . 0.571 ' ND2' HG22 ' A' ' 561' ' ' VAL . 82.6 m-20 -61.25 -28.09 68.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 64.25 109.291 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 615' ' ' CYS . . . . . 1.39 ' CB ' ' SG ' ' A' ' 559' ' ' CYS . 1.8 m -138.41 -73.02 0.4 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 71.329999999999998 108.293 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 616' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 153.48 -19.58 0.7 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.465 1.103 . . . . 64.409999999999997 111.033 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -41.95 105.55 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 0.739 . . . . 62.0 110.34 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 24.9 t -52.02 138.61 9.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 72.450000000000003 109.287 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 619' ' ' TRP . . . . . 0.756 ' CE2' ' HE3' ' A' ' 638' ' ' MET . 40.7 m0 -98.85 -46.28 5.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 71.5 108.021 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 620' ' ' GLY . . . . . . . . . . . . . . . 164.45 -101.57 0.19 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.481 1.113 . . . . 44.43 110.951 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 621' ' ' LEU . . . . . 0.702 ' C ' HD12 ' A' ' 621' ' ' LEU . 0.4 OUTLIER -158.25 168.63 26.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 0.772 . . . . 52.210000000000001 109.321 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 622' ' ' GLN . . . . . 0.487 ' OE1' ' CE ' ' A' ' 629' ' ' LYS . 0.5 OUTLIER -100.65 136.4 40.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 74.439999999999998 110.289 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 623' ' ' MET . . . . . 0.734 ' HG3' HG21 ' A' ' 632' ' ' VAL . 5.7 mmt -121.77 136.48 54.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 70.140000000000001 111.008 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 624' ' ' ILE . . . . . 0.403 ' CD1' ' O ' ' A' ' 606' ' ' PRO . 4.7 mp -108.17 144.64 16.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 73.540000000000006 109.295 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 625' ' ' TYR . . . . . 0.563 ' C ' ' CD1' ' A' ' 625' ' ' TYR . 0.1 OUTLIER -147.57 106.43 3.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 74.299999999999997 110.99 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 626' ' ' LYS . . . . . 0.502 ' O ' ' CB ' ' A' ' 627' ' ' SER . 0.8 OUTLIER 67.47 22.7 9.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 72.400000000000006 109.297 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 627' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.2 p 85.15 37.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 54.109999999999999 110.027 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 628' ' ' VAL . . . . . 0.758 ' CG1' HD21 ' A' ' 630' ' ' LEU . 53.8 t -121.93 110.63 27.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 63.039999999999999 109.295 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 629' ' ' LYS . . . . . 0.487 ' CE ' ' OE1' ' A' ' 622' ' ' GLN . 4.9 mmmm -71.61 100.37 2.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 73.120000000000005 109.295 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 630' ' ' LEU . . . . . 0.88 HD22 HG22 ' A' ' 580' ' ' VAL . 41.8 mt -118.11 111.83 38.47 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 70.329999999999998 109.304 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 631' ' ' PRO . . . . . 0.737 ' HB2' HD11 ' A' ' 633' ' ' LEU . 18.4 Cg_endo -74.97 134.65 18.13 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.561 1.822 . . . . 73.25 111.013 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 632' ' ' VAL . . . . . 0.944 ' C ' HD13 ' A' ' 633' ' ' LEU . 20.4 t -98.72 106.95 19.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 75.519999999999996 109.319 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 633' ' ' LEU . . . . . 0.944 HD13 ' C ' ' A' ' 632' ' ' VAL . 0.0 OUTLIER -110.11 171.74 7.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.125 . . . . 62.020000000000003 109.278 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 634' ' ' LYS . . . . . 0.49 ' CD ' ' O ' ' A' ' 619' ' ' TRP . 5.5 mtpt -100.43 -173.77 2.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 65.239999999999995 109.293 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 635' ' ' VAL . . . . . 0.912 HG11 ' C ' ' A' ' 651' ' ' LYS . 9.2 p -106.8 -30.75 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 65.329999999999998 109.295 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 636' ' ' ARG . . . . . 0.721 ' O ' HD13 ' A' ' 557' ' ' ILE . 7.9 ptt180 -82.77 -0.74 49.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 74.230000000000004 110.26 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 16.2 t -111.77 -13.46 13.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 75.430000000000007 109.986 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 638' ' ' MET . . . . . 0.756 ' HE3' ' CE2' ' A' ' 619' ' ' TRP . 32.3 mmt -109.01 125.5 52.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 63.299999999999997 110.962 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 639' ' ' LEU . . . . . 0.956 HD23 ' HA ' ' A' ' 557' ' ' ILE . 0.0 OUTLIER -88.16 134.38 33.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 73.0 109.287 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 640' ' ' LEU . . . . . 0.554 HD21 ' HE1' ' A' ' 657' ' ' PHE . 0.1 OUTLIER -106.32 96.18 6.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 70.239999999999995 109.313 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . 0.811 ' HB2' HD11 ' A' ' 555' ' ' LEU . 4.7 mt-10 -73.29 125.19 27.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 73.120000000000005 110.322 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 642' ' ' THR . . . . . 0.692 HG21 HD12 ' A' ' 647' ' ' ILE . 0.1 OUTLIER -135.33 160.28 68.61 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 72.310000000000002 110.364 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 2.26 6.85 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.506 1.793 . . . . 74.349999999999994 110.982 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -108.71 -10.26 15.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 73.430000000000007 110.273 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 125.29 140.1 5.34 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.528 1.143 . . . . 74.019999999999996 111.017 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 49.5 mtm-85 -46.09 153.16 0.33 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 0.747 . . . . 73.329999999999998 110.264 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 647' ' ' ILE . . . . . 0.692 HD12 HG21 ' A' ' 642' ' ' THR . 49.2 mt -139.07 126.08 25.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 60.229999999999997 109.337 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 648' ' ' GLN . . . . . 0.732 ' HG3' HD22 ' A' ' 639' ' ' LEU . 0.0 OUTLIER -125.41 95.83 4.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 74.019999999999996 110.26 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 649' ' ' ALA . . . . . . . . . . . . . . . -88.2 178.28 6.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 74.439999999999998 109.299 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 60.7 mttt -110.76 -24.43 10.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 71.430000000000007 109.305 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 651' ' ' LYS . . . . . 0.912 ' C ' HG11 ' A' ' 635' ' ' VAL . 2.0 mppt? -133.67 160.11 38.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 71.439999999999998 109.267 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 652' ' ' TRP . . . . . 0.814 ' HA ' HG23 ' A' ' 655' ' ' VAL . 63.8 m95 -74.39 -5.88 44.96 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.981 -1.118 . . . . 75.120000000000005 107.981 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 9.0 t -70.56 -16.97 62.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 65.099999999999994 110.001 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 654' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 655' ' ' VAL . 6.5 mmm180 -100.53 -15.15 17.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 75.340000000000003 110.265 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 655' ' ' VAL . . . . . 0.814 HG23 ' HA ' ' A' ' 652' ' ' TRP . 5.2 t -39.98 116.5 1.2 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 63.43 109.29 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 656' ' ' PRO . . . . . 0.481 ' HD2' HD23 ' A' ' 640' ' ' LEU . 18.3 Cg_endo -75.01 -40.63 0.83 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.49 1.784 . . . . 75.140000000000001 110.985 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 657' ' ' PHE . . . . . 1.013 ' CE2' HG22 ' A' ' 659' ' ' VAL . 38.8 p90 -75.07 155.92 36.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 63.039999999999999 111.017 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 1.4 m -81.53 141.63 33.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 74.319999999999993 110.007 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 659' ' ' VAL . . . . . 1.013 HG22 ' CE2' ' A' ' 657' ' ' PHE . 1.9 t -129.63 95.27 29.99 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 73.400000000000006 109.323 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 660' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 147.83 34.34 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.532 1.806 . . . . 63.130000000000003 110.995 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 661' ' ' ASP . . . . . 0.439 ' OD2' ' N ' ' A' ' 661' ' ' ASP . 0.9 OUTLIER -73.05 158.92 34.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 43.140000000000001 109.294 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 662' ' ' PHE . . . . . 0.478 ' CE2' HD11 ' A' ' 630' ' ' LEU . 4.6 t80 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 75.420000000000002 111.019 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 546' ' ' GLN . . . . . 0.513 ' C ' ' CD1' ' A' ' 547' ' ' PHE . 2.3 pt20 . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 110.317 -0.253 . . . . 75.439999999999998 110.317 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 547' ' ' PHE . . . . . 0.642 ' N ' ' CD1' ' A' ' 547' ' ' PHE . 0.1 OUTLIER -148.66 97.24 3.74 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 74.150000000000006 110.95 -179.923 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 548' ' ' PRO . . . . . 0.52 ' HG2' ' CG ' ' A' ' 551' ' ' HIS . 18.3 Cg_endo -75.01 129.63 12.51 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.543 1.812 . . . . 62.350000000000001 110.986 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 549' ' ' VAL . . . . . 0.697 HG12 ' HB2' ' A' ' 657' ' ' PHE . 33.3 m -47.81 -39.91 7.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 73.519999999999996 109.269 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 550' ' ' GLU . . . . . 0.46 ' CG ' ' HB2' ' A' ' 548' ' ' PRO . 4.8 pt-20 -56.77 -36.71 70.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 65.420000000000002 110.284 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 551' ' ' HIS . . . . . 0.52 ' CG ' ' HG2' ' A' ' 548' ' ' PRO . 43.9 m170 -84.57 -23.18 29.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 73.540000000000006 109.643 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 552' ' ' VAL . . . . . 0.58 HG11 ' CD2' ' A' ' 657' ' ' PHE . 84.0 t -83.08 118.86 31.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 70.439999999999998 109.307 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 553' ' ' GLN . . . . . 0.807 ' HB3' HD11 ' A' ' 555' ' ' LEU . 9.0 tt0 -110.81 169.99 8.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 73.129999999999995 110.347 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 554' ' ' LEU . . . . . 0.706 ' C ' HD12 ' A' ' 555' ' ' LEU . 2.9 mt -110.04 106.19 15.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 62.439999999999998 109.329 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 555' ' ' LEU . . . . . 0.865 HD12 ' N ' ' A' ' 555' ' ' LEU . 0.0 OUTLIER -123.32 168.37 12.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 75.510000000000005 109.307 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 556' ' ' CYS . . . . . 0.616 ' O ' ' N ' ' A' ' 560' ' ' MET . 4.2 t -99.37 106.89 19.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.001 -0.999 . . . . 75.200000000000003 110.938 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 557' ' ' ILE . . . . . 0.804 HD13 ' O ' ' A' ' 636' ' ' ARG . 1.0 OUTLIER -36.32 -32.2 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 63.340000000000003 109.335 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 558' ' ' ASN . . . . . 0.498 ' N ' ' O ' ' A' ' 556' ' ' CYS . 3.0 m120 -80.72 -66.3 0.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 73.209999999999994 109.248 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 559' ' ' CYS . . . . . 1.078 ' CB ' ' SG ' ' A' ' 615' ' ' CYS . 28.1 m -71.25 -63.52 1.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 73.519999999999996 108.264 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 560' ' ' MET . . . . . 0.686 ' SD ' HD23 ' A' ' 639' ' ' LEU . 6.7 mtm 69.19 52.48 0.48 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 64.219999999999999 111.004 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 561' ' ' VAL . . . . . 0.702 ' O ' ' HB3' ' A' ' 562' ' ' ALA . 1.4 m -117.61 -7.35 11.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 75.329999999999998 109.29 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 562' ' ' ALA . . . . . 0.702 ' HB3' ' O ' ' A' ' 561' ' ' VAL . . . 84.55 107.64 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 75.310000000000002 109.325 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 563' ' ' VAL . . . . . 0.49 ' HA ' ' CD2' ' A' ' 587' ' ' TYR . 0.3 OUTLIER -107.11 -4.76 10.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 75.140000000000001 109.298 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -173.37 -152.98 9.2 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.529 1.143 . . . . 62.030000000000001 111.035 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 565' ' ' HIS . . . . . . . . . . . . . 29.4 m-70 -136.81 154.05 50.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.454 0.738 . . . . 65.030000000000001 109.593 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 566' ' ' GLY . . . . . 0.549 ' O ' HD11 ' A' ' 569' ' ' LEU . . . -80.81 -11.36 84.0 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.458 1.099 . . . . 42.32 111.008 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 32.7 t -104.98 5.67 32.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 0.77 . . . . 53.100000000000001 109.985 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -113.19 -13.98 12.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 70.400000000000006 109.277 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 569' ' ' LEU . . . . . 0.858 HD21 ' CZ ' ' A' ' 657' ' ' PHE . 0.2 OUTLIER -79.62 150.15 31.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 70.219999999999999 109.3 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 570' ' ' ARG . . . . . 0.699 ' HA ' HG23 ' A' ' 659' ' ' VAL . 75.5 mtt85 -132.51 149.6 52.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 73.099999999999994 110.334 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 571' ' ' LYS . . . . . 0.464 ' CD ' ' O ' ' A' ' 659' ' ' VAL . 20.9 ptmt -101.67 153.38 19.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 74.430000000000007 109.277 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 572' ' ' VAL . . . . . 0.472 HG12 ' HG2' ' A' ' 573' ' ' GLU . 2.6 t -111.72 104.21 16.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 74.209999999999994 109.308 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 573' ' ' GLU . . . . . 0.472 ' HG2' HG12 ' A' ' 572' ' ' VAL . 9.6 pt-20 42.83 36.16 0.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 73.299999999999997 110.315 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 44.45 45.74 8.45 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.513 1.133 . . . . 52.439999999999998 110.992 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 575' ' ' THR . . . . . 0.507 ' O ' ' CG ' ' A' ' 576' ' ' HIS . 1.3 m -112.73 -35.57 5.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 0.773 . . . . 72.010000000000005 110.361 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 576' ' ' HIS . . . . . 0.507 ' CG ' ' O ' ' A' ' 575' ' ' THR . 10.7 m80 -168.13 106.09 0.49 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 75.099999999999994 109.598 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 577' ' ' HIS . . . . . 0.706 ' CD2' ' CE3' ' A' ' 652' ' ' TRP . 4.7 m80 -44.7 151.22 0.3 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 72.540000000000006 109.575 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 578' ' ' VAL . . . . . 0.95 HG12 HG22 ' A' ' 632' ' ' VAL . 2.6 m -154.86 108.38 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 73.209999999999994 109.336 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 579' ' ' ASN . . . . . 0.462 ' HB3' ' CD2' ' A' ' 633' ' ' LEU . 2.5 t-20 -83.99 119.06 24.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 71.430000000000007 109.312 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 580' ' ' VAL . . . . . 0.754 HG13 ' CD2' ' A' ' 630' ' ' LEU . 2.3 t -91.08 143.02 12.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 72.409999999999997 109.307 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 581' ' ' ASN . . . . . 0.451 ' CB ' ' HB2' ' A' ' 584' ' ' PHE . 21.3 m-20 179.01 132.66 0.23 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 63.200000000000003 109.308 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 582' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -49.09 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.485 1.782 . . . . 75.510000000000005 110.975 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 583' ' ' ASN . . . . . . . . . . . . . 12.7 m-20 -60.61 -15.6 29.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 70.340000000000003 109.302 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 584' ' ' PHE . . . . . 0.577 ' CE2' ' CZ3' ' A' ' 619' ' ' TRP . 2.0 t80 -61.0 -36.93 80.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 72.109999999999999 110.999 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 585' ' ' SER . . . . . 0.533 ' HA ' ' CE2' ' A' ' 588' ' ' TYR . 1.5 t -56.5 -29.58 62.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 55.200000000000003 109.967 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -87.18 -16.88 34.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 72.150000000000006 109.304 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 587' ' ' TYR . . . . . 0.49 ' CD2' ' HA ' ' A' ' 563' ' ' VAL . 8.5 m-30 -89.48 -10.04 47.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 62.219999999999999 110.984 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 588' ' ' TYR . . . . . 0.708 ' HE1' HG23 ' A' ' 590' ' ' VAL . 1.9 p90 -147.1 157.75 43.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 70.219999999999999 110.98 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 589' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -123.6 129.3 50.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.162 . . . . 74.310000000000002 109.285 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 590' ' ' VAL . . . . . 0.709 HG13 ' HA3' ' A' ' 608' ' ' GLY . 7.4 t -76.31 137.06 23.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 75.5 109.288 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 3.8 t . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 54.539999999999999 110.012 179.97 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 604' ' ' TRP . . . . . 0.689 ' HZ3' HG11 ' A' ' 578' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 108.009 -1.108 . . . . 72.200000000000003 108.009 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 605' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.85 151.16 47.01 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 70.150000000000006 109.287 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 606' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 127.9 11.03 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.547 1.814 . . . . 73.420000000000002 111.017 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 607' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 622' ' ' GLN . . . -97.23 -117.88 3.61 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.504 1.128 . . . . 63.109999999999999 111.004 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 608' ' ' GLY . . . . . 0.709 ' HA3' HG13 ' A' ' 590' ' ' VAL . . . -133.34 148.08 19.23 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.003 -0.839 . . . . 65.239999999999995 111.003 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 24.7 t -54.11 125.68 9.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 0.755 . . . . 63.210000000000001 109.274 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 610' ' ' ILE . . . . . 0.672 HG23 ' CD1' ' A' ' 588' ' ' TYR . 0.7 OUTLIER -91.35 144.89 8.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.151 . . . . 61.450000000000003 109.273 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.86 131.85 29.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 55.109999999999999 109.966 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 612' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 616' ' ' GLY . 35.8 t -61.82 107.9 0.92 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.443 1.09 . . . . 63.350000000000001 108.289 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 11.4 ttt180 -66.47 -33.03 74.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 70.530000000000001 110.32 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 614' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -56.8 -41.78 78.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 61.130000000000003 109.319 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 615' ' ' CYS . . . . . 1.078 ' SG ' ' CB ' ' A' ' 559' ' ' CYS . 0.8 OUTLIER -126.95 -74.24 0.6 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 42.240000000000002 108.277 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 616' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 160.29 -24.29 0.28 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.495 1.122 . . . . 44.439999999999998 110.984 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -42.13 106.68 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 0.739 . . . . 72.329999999999998 110.311 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 618' ' ' VAL . . . . . 0.51 HG13 ' O ' ' A' ' 610' ' ' ILE . 78.2 t -56.9 140.66 14.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 64.219999999999999 109.235 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 619' ' ' TRP . . . . . 0.577 ' CZ3' ' CE2' ' A' ' 584' ' ' PHE . 42.2 m0 -98.07 -42.62 7.39 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.961 -1.126 . . . . 71.310000000000002 107.961 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 620' ' ' GLY . . . . . . . . . . . . . . . 163.59 -108.15 0.33 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.508 1.13 . . . . 65.329999999999998 110.959 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 621' ' ' LEU . . . . . 0.777 HD22 ' C ' ' A' ' 621' ' ' LEU . 0.0 OUTLIER -152.7 154.27 34.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 0.748 . . . . 75.310000000000002 109.298 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 622' ' ' GLN . . . . . 0.601 ' N ' HD22 ' A' ' 621' ' ' LEU . 1.6 tt0 -86.66 134.97 33.57 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.143 . . . . 74.530000000000001 110.263 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 623' ' ' MET . . . . . 0.539 ' SD ' ' CG ' ' A' ' 604' ' ' TRP . 4.8 mmt -115.24 126.2 54.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 71.549999999999997 111.008 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 624' ' ' ILE . . . . . 0.535 ' N ' HD12 ' A' ' 624' ' ' ILE . 1.7 mp -102.36 112.19 34.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 74.430000000000007 109.305 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 625' ' ' TYR . . . . . 0.519 ' C ' ' CD1' ' A' ' 625' ' ' TYR . 0.2 OUTLIER -112.8 108.67 17.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 74.540000000000006 110.998 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 626' ' ' LYS . . . . . 0.513 ' O ' ' CB ' ' A' ' 627' ' ' SER . 1.4 mmmt 65.37 21.48 11.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 72.430000000000007 109.321 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 627' ' ' SER . . . . . 0.513 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.2 p 86.6 40.7 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 73.340000000000003 110.026 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 628' ' ' VAL . . . . . 0.783 HG12 ' HG ' ' A' ' 630' ' ' LEU . 55.3 t -124.6 110.3 24.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 73.109999999999999 109.307 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 629' ' ' LYS . . . . . 0.409 ' O ' HD23 ' A' ' 630' ' ' LEU . 17.9 mmmt -67.81 99.18 0.79 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 74.409999999999997 109.285 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 630' ' ' LEU . . . . . 0.783 ' HG ' HG12 ' A' ' 628' ' ' VAL . 53.6 mt -119.78 111.81 35.67 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 63.200000000000003 109.306 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 631' ' ' PRO . . . . . 0.731 ' HB2' HD11 ' A' ' 633' ' ' LEU . 18.3 Cg_endo -75.03 126.54 10.02 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.547 1.814 . . . . 63.310000000000002 110.998 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 632' ' ' VAL . . . . . 0.95 HG22 HG12 ' A' ' 578' ' ' VAL . 41.5 t -98.24 101.97 12.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 71.099999999999994 109.297 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 633' ' ' LEU . . . . . 0.812 HD13 ' C ' ' A' ' 632' ' ' VAL . 0.0 OUTLIER -103.42 171.28 7.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.098 . . . . 75.219999999999999 109.287 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 3.0 mtpt -97.35 -177.01 3.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 74.439999999999998 109.266 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 635' ' ' VAL . . . . . 0.497 ' CG1' ' C ' ' A' ' 650' ' ' LYS . 7.5 p -104.11 -10.21 9.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 70.120000000000005 109.257 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 636' ' ' ARG . . . . . 0.804 ' O ' HD13 ' A' ' 557' ' ' ILE . 6.1 ptm180 -94.28 -23.58 17.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 75.109999999999999 110.303 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 6.8 p -90.96 -9.98 44.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 71.519999999999996 109.979 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 638' ' ' MET . . . . . 0.447 ' HA ' ' O ' ' A' ' 555' ' ' LEU . 32.4 mmt -114.53 125.06 53.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.118 . . . . 72.219999999999999 111.008 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 639' ' ' LEU . . . . . 0.686 HD23 ' SD ' ' A' ' 560' ' ' MET . 1.6 tp -91.65 124.78 36.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.427 1.079 . . . . 72.200000000000003 109.274 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 640' ' ' LEU . . . . . 0.976 HD11 HG22 ' A' ' 655' ' ' VAL . 51.2 mt -88.56 100.92 13.45 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.116 . . . . 71.430000000000007 109.319 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . 0.493 ' CD ' HD21 ' A' ' 555' ' ' LEU . 6.9 mt-10 -73.41 129.01 37.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 73.400000000000006 110.301 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 642' ' ' THR . . . . . 0.716 HG21 HD12 ' A' ' 647' ' ' ILE . 0.7 OUTLIER -141.74 160.7 55.21 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 73.120000000000005 110.389 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 2.7 6.34 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.52 1.8 . . . . 54.530000000000001 111.007 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -113.35 0.42 14.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 71.239999999999995 110.269 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 113.56 124.94 4.19 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.534 1.147 . . . . 72.340000000000003 110.999 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 646' ' ' ARG . . . . . 0.523 ' HB3' HD11 ' A' ' 639' ' ' LEU . 1.3 mtt85 -38.68 148.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 0.74 . . . . 71.140000000000001 110.274 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 647' ' ' ILE . . . . . 0.716 HD12 HG21 ' A' ' 642' ' ' THR . 14.2 mt -130.19 129.76 65.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 64.030000000000001 109.308 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 648' ' ' GLN . . . . . 0.403 ' OE1' ' N ' ' A' ' 649' ' ' ALA . 0.9 OUTLIER -124.65 110.21 14.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 71.109999999999999 110.299 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 649' ' ' ALA . . . . . 0.403 ' N ' ' OE1' ' A' ' 648' ' ' GLN . . . -122.91 168.79 11.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 73.209999999999994 109.284 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 650' ' ' LYS . . . . . 0.497 ' C ' ' CG1' ' A' ' 635' ' ' VAL . 1.7 mtmt -104.96 -18.27 14.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 73.430000000000007 109.289 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -114.87 135.5 54.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 73.0 109.308 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 652' ' ' TRP . . . . . 0.706 ' CE3' ' CD2' ' A' ' 577' ' ' HIS . 75.9 m95 -66.93 -12.17 58.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 65.010000000000005 107.998 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 46.5 t -65.3 -11.15 38.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 65.310000000000002 110.021 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 654' ' ' ARG . . . . . 0.41 ' O ' ' C ' ' A' ' 655' ' ' VAL . 7.3 mmm180 -99.58 -29.55 12.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 73.400000000000006 110.276 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 655' ' ' VAL . . . . . 0.976 HG22 HD11 ' A' ' 640' ' ' LEU . 2.4 t -39.85 119.84 1.41 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 70.230000000000004 109.282 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 656' ' ' PRO . . . . . 0.62 ' HD2' HD13 ' A' ' 640' ' ' LEU . 18.3 Cg_endo -75.01 -42.78 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.516 1.798 . . . . 65.349999999999994 110.971 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 657' ' ' PHE . . . . . 0.858 ' CZ ' HD21 ' A' ' 569' ' ' LEU . 9.5 p90 -69.26 151.41 46.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 61.210000000000001 110.984 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -101.39 149.6 23.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 64.409999999999997 110.004 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 659' ' ' VAL . . . . . 0.699 HG23 ' HA ' ' A' ' 570' ' ' ARG . 0.1 OUTLIER -143.52 112.8 5.51 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 74.519999999999996 109.318 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 660' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 148.06 34.92 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.436 1.756 . . . . 73.120000000000005 111.026 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -42.23 151.52 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 55.350000000000001 109.291 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 662' ' ' PHE . . . . . . . . . . . . . 30.4 t80 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 73.230000000000004 111.004 -179.972 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 546' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.329 -0.248 . . . . 75.340000000000003 110.329 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 547' ' ' PHE . . . . . 0.524 ' CG ' ' HB2' ' A' ' 656' ' ' PRO . 7.0 m-85 -148.81 102.98 3.41 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 74.209999999999994 111.011 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 548' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 143.44 29.29 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.489 1.784 . . . . 44.32 111.027 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 549' ' ' VAL . . . . . 0.4 HG12 ' HB2' ' A' ' 657' ' ' PHE . 28.4 m -50.33 -45.31 24.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 50.409999999999997 109.277 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -53.18 -30.32 36.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 74.239999999999995 110.274 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 9.2 m170 -87.59 -29.1 21.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 71.319999999999993 109.59 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 552' ' ' VAL . . . . . 0.765 HG21 ' HB3' ' A' ' 657' ' ' PHE . 54.0 t -86.78 119.76 35.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 71.340000000000003 109.266 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -108.37 144.6 35.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 73.239999999999995 110.292 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 554' ' ' LEU . . . . . 1.028 HD11 HD23 ' A' ' 569' ' ' LEU . 0.9 OUTLIER -87.36 114.7 24.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 72.129999999999995 109.289 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 555' ' ' LEU . . . . . 0.833 HD11 ' HB2' ' A' ' 641' ' ' GLU . 0.2 OUTLIER -133.69 177.93 7.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 71.310000000000002 109.305 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 556' ' ' CYS . . . . . 0.511 ' O ' ' N ' ' A' ' 560' ' ' MET . 5.1 t -107.88 100.87 10.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 114.976 -1.011 . . . . 74.109999999999999 110.937 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 557' ' ' ILE . . . . . 0.882 HD13 ' O ' ' A' ' 636' ' ' ARG . 1.2 pt -34.75 -34.2 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 74.200000000000003 109.25 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 558' ' ' ASN . . . . . 0.501 ' N ' ' O ' ' A' ' 556' ' ' CYS . 2.5 m120 -75.07 -61.44 1.89 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 35.299999999999997 109.318 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 559' ' ' CYS . . . . . 1.178 ' CB ' ' SG ' ' A' ' 615' ' ' CYS . 2.8 m -78.36 -69.82 0.53 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 64.510000000000005 108.264 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 560' ' ' MET . . . . . 0.513 ' HB2' ' O ' ' A' ' 559' ' ' CYS . 28.1 mtm 79.59 45.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 73.329999999999998 111.042 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 561' ' ' VAL . . . . . 0.572 HG22 ' ND2' ' A' ' 614' ' ' ASN . 1.0 OUTLIER -115.45 15.02 7.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 74.129999999999995 109.232 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 562' ' ' ALA . . . . . 0.577 ' CA ' HD23 ' A' ' 555' ' ' LEU . . . 65.67 111.17 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 71.310000000000002 109.311 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 563' ' ' VAL . . . . . 0.813 HG12 ' CD1' ' A' ' 587' ' ' TYR . 2.4 m -110.5 -5.59 11.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.162 . . . . 75.420000000000002 109.367 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -179.51 -160.22 24.82 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.472 1.108 . . . . 41.109999999999999 110.981 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 565' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -129.61 156.67 43.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 0.735 . . . . 70.430000000000007 109.625 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . -78.65 -5.72 88.27 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.498 1.124 . . . . 71.340000000000003 111.045 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 3.1 t -108.42 10.9 27.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 0.752 . . . . 73.530000000000001 110.033 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 53.9 m-20 -110.72 -33.92 6.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 72.439999999999998 109.28 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 569' ' ' LEU . . . . . 1.028 HD23 HD11 ' A' ' 554' ' ' LEU . 0.1 OUTLIER -79.21 158.85 27.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 72.340000000000003 109.295 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 570' ' ' ARG . . . . . 0.8 HH22 HD13 ' A' ' 630' ' ' LEU . 8.5 mtm105 -132.39 -172.11 2.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 74.549999999999997 110.32 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 571' ' ' LYS . . . . . 0.491 ' CG ' ' HA2' ' A' ' 574' ' ' GLY . 4.9 ttmt -132.61 107.92 8.74 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 74.299999999999997 109.333 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 572' ' ' VAL . . . . . 0.457 ' O ' ' C ' ' A' ' 573' ' ' GLU . 2.4 t -79.69 110.97 15.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 71.409999999999997 109.287 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 573' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 572' ' ' VAL . 6.6 pt-20 34.64 43.91 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 71.109999999999999 110.308 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 574' ' ' GLY . . . . . 0.491 ' HA2' ' CG ' ' A' ' 571' ' ' LYS . . . 34.82 51.14 0.8 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.532 1.145 . . . . 74.439999999999998 110.992 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 2.9 m -117.57 -40.16 3.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 0.729 . . . . 64.299999999999997 110.418 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 576' ' ' HIS . . . . . 0.507 ' O ' HG13 ' A' ' 578' ' ' VAL . 2.9 m80 -161.79 112.6 1.65 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 74.329999999999998 109.612 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 577' ' ' HIS . . . . . 0.744 ' CD2' ' CD2' ' A' ' 652' ' ' TRP . 50.7 m-70 -66.11 118.69 10.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 71.109999999999999 109.641 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 578' ' ' VAL . . . . . 1.068 HG12 HG22 ' A' ' 632' ' ' VAL . 10.6 m -120.25 112.72 37.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 63.409999999999997 109.293 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 579' ' ' ASN . . . . . 0.6 ' OD1' ' CE1' ' A' ' 584' ' ' PHE . 2.2 t-20 -77.93 116.88 18.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 75.530000000000001 109.262 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 580' ' ' VAL . . . . . 0.927 HG22 HD22 ' A' ' 630' ' ' LEU . 26.2 t -91.86 125.28 44.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 75.129999999999995 109.334 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 581' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -173.89 136.27 0.65 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 71.519999999999996 109.32 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 582' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -35.93 2.87 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.476 1.777 . . . . 74.219999999999999 111.036 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 583' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -74.38 -6.03 45.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 65.230000000000004 109.264 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 584' ' ' PHE . . . . . 0.6 ' CE1' ' OD1' ' A' ' 579' ' ' ASN . 3.8 t80 -72.41 -33.9 67.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 64.239999999999995 111.026 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 585' ' ' SER . . . . . 0.516 ' HA ' ' CE2' ' A' ' 588' ' ' TYR . 4.6 t -57.3 -26.27 60.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 74.230000000000004 110.02 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -87.41 -17.51 32.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 73.239999999999995 109.313 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 587' ' ' TYR . . . . . 0.813 ' CD1' HG12 ' A' ' 563' ' ' VAL . 2.3 m-85 -91.08 4.7 51.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 72.519999999999996 110.971 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 588' ' ' TYR . . . . . 0.694 ' CD1' HG23 ' A' ' 610' ' ' ILE . 1.0 OUTLIER -164.13 158.89 19.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 52.43 110.997 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 589' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -134.47 128.47 33.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 55.210000000000001 109.315 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 590' ' ' VAL . . . . . 0.584 HG13 ' HA3' ' A' ' 608' ' ' GLY . 17.2 t -72.67 133.18 32.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.127 . . . . 74.099999999999994 109.284 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 34.9 t . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 70.219999999999999 109.986 -179.978 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 604' ' ' TRP . . . . . 0.565 ' CH2' ' HG3' ' A' ' 623' ' ' MET . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 107.982 -1.118 . . . . 74.430000000000007 107.982 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 605' ' ' LYS . . . . . . . . . . . . . 9.9 ptmt -112.34 157.58 39.62 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.578 1.174 . . . . 62.399999999999999 109.275 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 606' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 171.51 18.18 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.48 1.779 . . . . 63.439999999999998 110.972 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 607' ' ' GLY . . . . . 0.599 ' H ' HD23 ' A' ' 621' ' ' LEU . . . -135.59 -108.71 0.96 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.482 1.114 . . . . 71.530000000000001 111.007 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 608' ' ' GLY . . . . . 0.584 ' HA3' HG13 ' A' ' 590' ' ' VAL . . . -135.36 148.14 19.47 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 110.994 -0.842 . . . . 43.439999999999998 110.994 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 13.5 t -57.04 126.46 14.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 0.755 . . . . 70.019999999999996 109.26 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 610' ' ' ILE . . . . . 0.694 HG23 ' CD1' ' A' ' 588' ' ' TYR . 0.6 OUTLIER -95.06 145.33 8.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 53.409999999999997 109.318 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.87 121.76 9.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.589 1.181 . . . . 70.239999999999995 109.973 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 612' ' ' CYS . . . . . 0.514 ' HB2' ' CE2' ' A' ' 619' ' ' TRP . 33.8 t -48.78 119.99 3.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 74.209999999999994 108.3 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 7.4 ttt180 -71.01 -25.35 62.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 71.510000000000005 110.278 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 614' ' ' ASN . . . . . 0.572 ' ND2' HG22 ' A' ' 561' ' ' VAL . 81.0 m-20 -67.38 -36.03 80.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 74.120000000000005 109.328 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 615' ' ' CYS . . . . . 1.178 ' SG ' ' CB ' ' A' ' 559' ' ' CYS . 0.2 OUTLIER -126.43 -74.63 0.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 63.329999999999998 108.341 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 616' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 148.07 -17.27 1.37 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.529 1.143 . . . . 73.540000000000006 110.983 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 617' ' ' GLU . . . . . 0.423 ' OE1' ' ND2' ' A' ' 558' ' ' ASN . 19.2 tp10 -42.49 102.87 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.52 0.777 . . . . 72.140000000000001 110.302 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 618' ' ' VAL . . . . . 0.451 ' O ' ' NZ ' ' A' ' 634' ' ' LYS . 25.6 t -49.17 118.08 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 72.439999999999998 109.263 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 619' ' ' TRP . . . . . 0.734 ' CE2' ' HE3' ' A' ' 638' ' ' MET . 36.7 m0 -81.44 -39.2 25.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 73.319999999999993 108.013 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 620' ' ' GLY . . . . . . . . . . . . . . . 160.44 -113.98 0.59 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.526 1.141 . . . . 51.310000000000002 111.029 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 621' ' ' LEU . . . . . 0.763 HD22 ' C ' ' A' ' 621' ' ' LEU . 0.0 OUTLIER -148.45 160.85 42.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 0.782 . . . . 74.0 109.301 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 622' ' ' GLN . . . . . 0.647 ' N ' HD22 ' A' ' 621' ' ' LEU . 0.8 OUTLIER -89.37 131.92 35.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 75.150000000000006 110.293 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 623' ' ' MET . . . . . 0.642 ' C ' HD12 ' A' ' 624' ' ' ILE . 9.9 mmt -106.23 142.34 36.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 51.299999999999997 110.974 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 624' ' ' ILE . . . . . 0.779 ' N ' HD12 ' A' ' 624' ' ' ILE . 2.7 mp -118.94 111.98 35.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 75.549999999999997 109.311 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 625' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -119.78 112.4 19.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 74.109999999999999 110.978 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 626' ' ' LYS . . . . . 0.509 ' O ' ' CB ' ' A' ' 627' ' ' SER . 6.4 mmpt? 65.32 17.31 10.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 62.549999999999997 109.32 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 627' ' ' SER . . . . . 0.509 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.1 p 87.3 40.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 63.299999999999997 109.984 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 628' ' ' VAL . . . . . 0.755 HG12 ' HG ' ' A' ' 630' ' ' LEU . 79.1 t -122.18 119.51 58.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 70.209999999999994 109.309 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 629' ' ' LYS . . . . . 0.458 ' CE ' ' OE1' ' A' ' 622' ' ' GLN . 6.8 mmmm -74.8 100.27 3.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 64.540000000000006 109.291 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 630' ' ' LEU . . . . . 0.927 HD22 HG22 ' A' ' 580' ' ' VAL . 27.1 mt -124.1 111.95 28.55 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 62.119999999999997 109.322 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 631' ' ' PRO . . . . . 0.576 ' HB2' HD11 ' A' ' 633' ' ' LEU . 18.4 Cg_endo -74.94 138.91 23.82 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.508 1.794 . . . . 72.150000000000006 111.009 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 632' ' ' VAL . . . . . 1.068 HG22 HG12 ' A' ' 578' ' ' VAL . 23.0 t -106.46 113.75 43.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 72.420000000000002 109.299 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 633' ' ' LEU . . . . . 1.0 HD13 ' C ' ' A' ' 632' ' ' VAL . 0.0 OUTLIER -113.96 171.64 7.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 73.209999999999994 109.267 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 634' ' ' LYS . . . . . 0.451 ' NZ ' ' O ' ' A' ' 618' ' ' VAL . 11.0 mtmm -102.53 -174.13 2.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 61.219999999999999 109.292 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 635' ' ' VAL . . . . . 0.983 HG11 ' C ' ' A' ' 651' ' ' LYS . 14.9 p -107.0 -20.34 6.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 75.010000000000005 109.252 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 636' ' ' ARG . . . . . 0.882 ' O ' HD13 ' A' ' 557' ' ' ILE . 6.9 ptp180 -82.31 -23.09 35.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 73.099999999999994 110.275 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 637' ' ' SER . . . . . 0.412 ' OG ' ' NZ ' ' A' ' 634' ' ' LYS . 3.6 m -96.05 -9.01 31.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 71.120000000000005 109.985 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 638' ' ' MET . . . . . 0.734 ' HE3' ' CE2' ' A' ' 619' ' ' TRP . 32.6 mmt -109.43 137.46 47.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 63.539999999999999 110.97 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 639' ' ' LEU . . . . . 0.887 HD21 ' HD2' ' A' ' 646' ' ' ARG . 11.6 tp -101.27 141.26 34.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 74.150000000000006 109.328 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 640' ' ' LEU . . . . . 0.411 HD13 ' C ' ' A' ' 639' ' ' LEU . 0.6 OUTLIER -109.95 90.99 3.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 72.209999999999994 109.263 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . 0.833 ' HB2' HD11 ' A' ' 555' ' ' LEU . 7.6 mt-10 -74.92 123.74 25.64 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.475 1.11 . . . . 53.119999999999997 110.301 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 642' ' ' THR . . . . . 0.545 HG21 HD12 ' A' ' 647' ' ' ILE . 0.2 OUTLIER -131.82 160.13 68.96 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 73.400000000000006 110.419 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 2.82 6.19 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.478 1.778 . . . . 73.120000000000005 110.983 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -113.9 -4.93 13.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 62.43 110.314 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 127.6 142.95 5.62 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.483 1.114 . . . . 25.02 110.962 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 646' ' ' ARG . . . . . 0.887 ' HD2' HD21 ' A' ' 639' ' ' LEU . 57.3 mtm-85 -57.77 149.74 21.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 0.729 . . . . 74.310000000000002 110.333 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 647' ' ' ILE . . . . . 0.545 HD12 HG21 ' A' ' 642' ' ' THR . 48.9 mt -136.83 127.1 39.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 72.409999999999997 109.295 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 648' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -128.28 112.31 14.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 75.099999999999994 110.329 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 649' ' ' ALA . . . . . 0.444 ' CB ' ' HB2' ' A' ' 654' ' ' ARG . . . -112.85 154.22 26.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 73.420000000000002 109.304 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 7.9 mttm -90.04 -8.03 52.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 63.240000000000002 109.321 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 651' ' ' LYS . . . . . 0.983 ' C ' HG11 ' A' ' 635' ' ' VAL . 0.0 OUTLIER -138.74 153.69 48.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 74.140000000000001 109.32 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 652' ' ' TRP . . . . . 0.792 ' HA ' HG23 ' A' ' 655' ' ' VAL . 59.7 m95 -75.77 -9.86 58.95 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.96 -1.126 . . . . 74.510000000000005 107.96 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 7.8 t -65.27 -11.06 37.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 74.010000000000005 109.996 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 654' ' ' ARG . . . . . 0.444 ' HB2' ' CB ' ' A' ' 649' ' ' ALA . 7.3 mmt85 -105.64 -12.4 15.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 72.530000000000001 110.317 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 655' ' ' VAL . . . . . 0.792 HG23 ' HA ' ' A' ' 652' ' ' TRP . 6.2 t -40.33 111.13 0.73 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 73.129999999999995 109.272 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 656' ' ' PRO . . . . . 0.524 ' HB2' ' CG ' ' A' ' 547' ' ' PHE . 18.3 Cg_endo -75.03 -29.75 7.85 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.489 1.784 . . . . 70.109999999999999 110.955 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 657' ' ' PHE . . . . . 0.765 ' HB3' HG21 ' A' ' 552' ' ' VAL . 54.4 p90 -84.47 164.84 18.58 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.496 1.123 . . . . 65.140000000000001 110.963 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.69 150.17 23.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 64.109999999999999 109.987 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 659' ' ' VAL . . . . . 0.663 HG22 ' CE2' ' A' ' 657' ' ' PHE . 1.8 t -141.73 100.89 6.02 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 75.450000000000003 109.341 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 660' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 166.79 28.4 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.528 1.804 . . . . 61.399999999999999 110.975 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 661' ' ' ASP . . . . . 0.405 ' HA ' ' O ' ' A' ' 571' ' ' LYS . 3.0 p-10 -89.89 151.42 21.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 62.329999999999998 109.3 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 662' ' ' PHE . . . . . 0.697 ' CD1' ' CZ ' ' A' ' 570' ' ' ARG . 1.9 t80 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 75.510000000000005 110.995 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 546' ' ' GLN . . . . . 0.535 ' C ' ' CD1' ' A' ' 547' ' ' PHE . 23.2 mt-30 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.314 -0.254 . . . . 44.350000000000001 110.314 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 547' ' ' PHE . . . . . 0.535 ' CD1' ' C ' ' A' ' 546' ' ' GLN . 0.5 OUTLIER -153.79 102.78 2.5 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 63.109999999999999 111.002 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 548' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 144.8 30.54 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.553 1.818 . . . . 62.43 110.979 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 549' ' ' VAL . . . . . 0.483 HG23 ' CB ' ' A' ' 567' ' ' SER . 28.9 m -51.17 -44.08 28.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 72.120000000000005 109.288 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -53.43 -29.56 35.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 72.030000000000001 110.316 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 8.6 m170 -89.13 -22.93 22.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 71.319999999999993 109.598 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 552' ' ' VAL . . . . . 0.803 HG21 ' HB3' ' A' ' 657' ' ' PHE . 42.8 t -91.86 126.5 44.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 62.32 109.253 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 553' ' ' GLN . . . . . 0.579 ' OE1' ' CE1' ' A' ' 565' ' ' HIS . 8.9 tt0 -112.28 148.67 33.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 73.310000000000002 110.303 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 554' ' ' LEU . . . . . 1.044 HD11 HD23 ' A' ' 569' ' ' LEU . 1.3 mt -90.91 111.19 22.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 74.099999999999994 109.309 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 555' ' ' LEU . . . . . 0.817 HD11 ' HB2' ' A' ' 641' ' ' GLU . 0.2 OUTLIER -133.28 177.21 7.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 74.120000000000005 109.291 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 556' ' ' CYS . . . . . 0.538 ' O ' ' N ' ' A' ' 560' ' ' MET . 5.4 t -102.35 101.42 11.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.009 -0.996 . . . . 70.439999999999998 110.915 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 557' ' ' ILE . . . . . 0.805 HD13 ' O ' ' A' ' 636' ' ' ARG . 1.4 pt -33.08 -36.5 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.113 . . . . 71.329999999999998 109.276 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 558' ' ' ASN . . . . . 0.516 ' N ' ' O ' ' A' ' 556' ' ' CYS . 2.7 m120 -73.95 -61.5 1.83 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 71.109999999999999 109.276 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 559' ' ' CYS . . . . . 1.129 ' CB ' ' SG ' ' A' ' 615' ' ' CYS . 3.9 m -77.75 -69.89 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 52.219999999999999 108.32 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 560' ' ' MET . . . . . 0.538 ' N ' ' O ' ' A' ' 556' ' ' CYS . 24.8 mtm 78.55 47.07 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 74.200000000000003 111.014 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 561' ' ' VAL . . . . . 0.686 ' O ' ' HB3' ' A' ' 562' ' ' ALA . 1.1 m -108.07 -5.27 10.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 62.200000000000003 109.303 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 562' ' ' ALA . . . . . 0.686 ' HB3' ' O ' ' A' ' 561' ' ' VAL . . . 85.27 100.52 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 61.329999999999998 109.278 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 563' ' ' VAL . . . . . 0.84 HG12 ' CD1' ' A' ' 587' ' ' TYR . 2.2 m -98.19 -7.11 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 64.129999999999995 109.309 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -179.87 -161.05 26.42 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 72.400000000000006 111.011 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 565' ' ' HIS . . . . . 0.579 ' CE1' ' OE1' ' A' ' 553' ' ' GLN . 48.1 m-70 -123.77 147.08 47.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 0.79 . . . . 74.310000000000002 109.552 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . -74.13 -2.8 63.18 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.543 1.152 . . . . 64.209999999999994 111.01 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 567' ' ' SER . . . . . 0.483 ' CB ' HG23 ' A' ' 549' ' ' VAL . 12.7 p -114.95 11.93 16.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 0.775 . . . . 74.099999999999994 109.968 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -112.06 -16.44 13.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 70.239999999999995 109.305 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 569' ' ' LEU . . . . . 1.044 HD23 HD11 ' A' ' 554' ' ' LEU . 0.1 OUTLIER -91.14 164.65 13.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 61.340000000000003 109.305 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 570' ' ' ARG . . . . . 0.697 HH22 HD13 ' A' ' 630' ' ' LEU . 0.2 OUTLIER -146.75 -176.77 5.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 70.400000000000006 110.27 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 571' ' ' LYS . . . . . 0.543 ' HE2' ' CE1' ' A' ' 577' ' ' HIS . 23.2 ttmt -111.74 159.26 18.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 73.209999999999994 109.307 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 572' ' ' VAL . . . . . 0.564 ' CG2' ' NH1' ' A' ' 570' ' ' ARG . 2.2 t -124.18 105.37 15.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 61.450000000000003 109.288 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 573' ' ' GLU . . . . . 0.438 ' HG2' HG12 ' A' ' 572' ' ' VAL . 9.2 pt-20 43.57 36.34 1.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 74.450000000000003 110.295 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 574' ' ' GLY . . . . . 0.436 ' HA2' ' CD ' ' A' ' 571' ' ' LYS . . . 43.83 46.94 7.68 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.427 1.079 . . . . 74.400000000000006 110.982 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 2.0 m -114.54 -50.33 2.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 0.768 . . . . 75.299999999999997 110.444 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 5.1 m80 -157.52 117.18 3.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.138 . . . . 73.329999999999998 109.649 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 577' ' ' HIS . . . . . 0.589 ' O ' HG13 ' A' ' 578' ' ' VAL . 35.9 m-70 -49.64 157.7 0.52 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 71.310000000000002 109.601 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 578' ' ' VAL . . . . . 0.819 ' CG1' HG22 ' A' ' 632' ' ' VAL . 0.2 OUTLIER -158.34 129.18 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 64.109999999999999 109.262 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 579' ' ' ASN . . . . . 0.569 ' OD1' ' CE1' ' A' ' 584' ' ' PHE . 2.6 t-20 -98.78 113.16 25.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 70.310000000000002 109.29 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 580' ' ' VAL . . . . . 0.567 HG13 HD23 ' A' ' 630' ' ' LEU . 2.7 t -87.22 131.92 33.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 72.140000000000001 109.248 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 581' ' ' ASN . . . . . 0.425 ' CB ' ' HB2' ' A' ' 584' ' ' PHE . 4.4 m120 -179.78 131.58 0.26 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 54.210000000000001 109.314 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 582' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -33.93 4.28 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.482 1.78 . . . . 54.210000000000001 111.039 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 583' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -78.46 -1.63 34.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 75.329999999999998 109.258 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 584' ' ' PHE . . . . . 0.569 ' CE1' ' OD1' ' A' ' 579' ' ' ASN . 3.3 t80 -73.78 -30.96 63.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 52.119999999999997 111.007 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 585' ' ' SER . . . . . 0.53 ' HA ' ' CE2' ' A' ' 588' ' ' TYR . 7.3 t -62.41 -21.99 65.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 70.099999999999994 109.939 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -87.11 -12.63 46.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 74.510000000000005 109.266 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 587' ' ' TYR . . . . . 0.84 ' CD1' HG12 ' A' ' 563' ' ' VAL . 6.1 m-85 -97.53 4.12 50.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 75.409999999999997 110.962 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 588' ' ' TYR . . . . . 0.773 ' CD1' HG23 ' A' ' 610' ' ' ILE . 1.9 p90 -163.61 156.78 18.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 72.040000000000006 111.037 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 589' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -126.47 126.91 44.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.081 . . . . 64.329999999999998 109.305 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 590' ' ' VAL . . . . . 0.681 HG13 ' HA3' ' A' ' 608' ' ' GLY . 10.5 t -72.66 136.44 25.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 72.129999999999995 109.295 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 7.2 t . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 74.430000000000007 110.016 -179.981 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 604' ' ' TRP . . . . . 0.436 ' CE3' ' CB ' ' A' ' 623' ' ' MET . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 108.01 -1.107 . . . . 62.43 108.01 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 605' ' ' LYS . . . . . . . . . . . . . 7.4 ptpt -119.69 163.25 28.52 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 74.129999999999995 109.322 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 606' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 143.91 29.62 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.479 1.778 . . . . 74.120000000000005 110.964 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 607' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 622' ' ' GLN . . . -117.48 -83.98 0.99 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.474 1.109 . . . . 72.329999999999998 111.023 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 608' ' ' GLY . . . . . 0.681 ' HA3' HG13 ' A' ' 590' ' ' VAL . . . -163.35 150.11 18.45 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.011 -0.836 . . . . 61.140000000000001 111.011 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 609' ' ' VAL . . . . . 0.407 HG23 ' H ' ' A' ' 609' ' ' VAL . 10.7 t -58.18 133.44 23.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 0.785 . . . . 63.020000000000003 109.297 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 610' ' ' ILE . . . . . 0.773 HG23 ' CD1' ' A' ' 588' ' ' TYR . 0.6 OUTLIER -103.18 149.64 7.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 74.420000000000002 109.26 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 611' ' ' SER . . . . . 0.401 ' O ' ' HA ' ' A' ' 588' ' ' TYR . 1.1 t -149.3 146.32 27.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 71.340000000000003 109.989 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 612' ' ' CYS . . . . . 0.458 ' O ' ' N ' ' A' ' 616' ' ' GLY . 20.1 t -66.41 119.43 11.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 54.450000000000003 108.279 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 10.7 ttt-85 -72.92 -24.29 60.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 74.420000000000002 110.317 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 614' ' ' ASN . . . . . 0.488 ' ND2' HG22 ' A' ' 561' ' ' VAL . 90.4 m-20 -70.08 -32.1 70.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 63.210000000000001 109.294 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 615' ' ' CYS . . . . . 1.129 ' SG ' ' CB ' ' A' ' 559' ' ' CYS . 1.7 m -129.56 -74.04 0.56 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 74.109999999999999 108.328 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 616' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 152.42 -20.93 0.83 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.493 1.121 . . . . 43.119999999999997 111.039 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -42.77 112.04 0.32 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 0.76 . . . . 64.329999999999998 110.286 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 3.3 t -49.42 141.87 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 74.530000000000001 109.314 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 619' ' ' TRP . . . . . 0.767 ' CE2' ' HE3' ' A' ' 638' ' ' MET . 29.6 m0 -106.47 -31.01 8.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 75.409999999999997 108.028 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 620' ' ' GLY . . . . . . . . . . . . . . . 150.61 -118.93 0.96 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.484 1.115 . . . . 41.119999999999997 111.015 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 621' ' ' LEU . . . . . 0.912 HD21 ' SD ' ' A' ' 623' ' ' MET . 0.0 OUTLIER -146.27 162.34 38.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 0.738 . . . . 73.219999999999999 109.294 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 622' ' ' GLN . . . . . 0.731 ' N ' HD22 ' A' ' 621' ' ' LEU . 0.4 OUTLIER -96.0 134.47 38.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 71.420000000000002 110.307 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 623' ' ' MET . . . . . 0.912 ' SD ' HD21 ' A' ' 621' ' ' LEU . 4.6 mmt -115.86 150.3 37.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 73.200000000000003 111.024 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 624' ' ' ILE . . . . . 0.766 ' N ' HD12 ' A' ' 624' ' ' ILE . 2.4 mp -119.25 119.01 59.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 72.209999999999994 109.325 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 625' ' ' TYR . . . . . 0.527 ' C ' ' CD1' ' A' ' 625' ' ' TYR . 0.2 OUTLIER -123.63 111.47 16.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 74.239999999999995 110.998 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 626' ' ' LYS . . . . . 0.487 ' O ' ' CB ' ' A' ' 627' ' ' SER . 0.7 OUTLIER 61.8 21.18 12.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 75.140000000000001 109.294 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 627' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.2 p 85.37 41.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 74.340000000000003 109.974 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 628' ' ' VAL . . . . . 0.836 HG12 ' HG ' ' A' ' 630' ' ' LEU . 54.0 t -127.9 107.9 17.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 72.409999999999997 109.293 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 3.7 mmmm -66.45 99.28 0.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 73.420000000000002 109.283 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 630' ' ' LEU . . . . . 0.836 ' HG ' HG12 ' A' ' 628' ' ' VAL . 4.9 mt -118.59 112.76 36.9 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 75.140000000000001 109.324 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 631' ' ' PRO . . . . . 0.597 ' HB2' HD11 ' A' ' 633' ' ' LEU . 18.3 Cg_endo -74.98 146.99 33.41 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.463 1.77 . . . . 72.310000000000002 111.008 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 632' ' ' VAL . . . . . 0.985 ' C ' HD13 ' A' ' 633' ' ' LEU . 30.0 t -111.93 111.95 38.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 54.240000000000002 109.302 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 633' ' ' LEU . . . . . 0.985 HD13 ' C ' ' A' ' 632' ' ' VAL . 0.0 OUTLIER -112.34 171.59 7.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 65.109999999999999 109.299 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 634' ' ' LYS . . . . . 0.475 ' CE ' ' CG ' ' A' ' 636' ' ' ARG . 0.0 OUTLIER -114.34 179.29 3.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 72.010000000000005 109.302 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 635' ' ' VAL . . . . . 0.498 ' CG1' ' O ' ' A' ' 650' ' ' LYS . 10.7 p -93.6 -42.57 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 72.519999999999996 109.297 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 636' ' ' ARG . . . . . 0.805 ' O ' HD13 ' A' ' 557' ' ' ILE . 0.2 OUTLIER -58.83 -15.51 12.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 62.229999999999997 110.304 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 27.2 t -106.44 -15.28 14.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 73.040000000000006 109.975 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 638' ' ' MET . . . . . 0.767 ' HE3' ' CE2' ' A' ' 619' ' ' TRP . 32.7 mmt -109.75 132.75 53.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 71.25 111.023 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 639' ' ' LEU . . . . . 0.785 HD12 ' HA ' ' A' ' 557' ' ' ILE . 1.2 tt -98.68 150.45 21.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 72.329999999999998 109.266 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 640' ' ' LEU . . . . . 0.551 HD12 ' CG1' ' A' ' 552' ' ' VAL . 1.7 mm? -113.08 93.42 4.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 75.239999999999995 109.305 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . 0.817 ' HB2' HD11 ' A' ' 555' ' ' LEU . 7.9 mt-10 -73.98 119.58 18.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 64.25 110.301 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 642' ' ' THR . . . . . 0.526 HG21 HD12 ' A' ' 647' ' ' ILE . 0.1 OUTLIER -127.34 159.91 62.89 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 73.420000000000002 110.411 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 1.83 7.32 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.502 1.791 . . . . 75.439999999999998 110.996 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -108.91 -5.59 16.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 40.329999999999998 110.304 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 128.45 145.06 5.94 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.476 1.11 . . . . 45.539999999999999 111.0 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 47.4 mtm-85 -58.44 145.62 37.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 0.766 . . . . 71.409999999999997 110.306 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 647' ' ' ILE . . . . . 0.526 HD12 HG21 ' A' ' 642' ' ' THR . 53.1 mt -136.26 137.34 48.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 52.310000000000002 109.264 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 648' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -131.96 110.47 10.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 73.519999999999996 110.282 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 649' ' ' ALA . . . . . . . . . . . . . . . -106.33 165.57 11.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 71.109999999999999 109.304 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 650' ' ' LYS . . . . . 0.498 ' O ' ' CG1' ' A' ' 635' ' ' VAL . 0.0 OUTLIER -104.59 -38.32 6.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 64.129999999999995 109.299 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 651' ' ' LYS . . . . . 0.41 ' HD3' ' N ' ' A' ' 651' ' ' LYS . 0.0 OUTLIER -111.49 145.41 39.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 74.120000000000005 109.301 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 652' ' ' TRP . . . . . 0.497 ' CG ' ' CD2' ' A' ' 577' ' ' HIS . 67.2 m95 -69.03 -10.26 56.67 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.989 -1.115 . . . . 74.030000000000001 107.989 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 2.5 t -71.46 -18.19 62.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 64.329999999999998 110.005 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 654' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 655' ' ' VAL . 3.1 mmm180 -100.61 -21.38 15.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 62.130000000000003 110.29 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 655' ' ' VAL . . . . . 0.803 HG13 ' CD1' ' A' ' 657' ' ' PHE . 2.2 t -39.86 126.88 1.57 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 64.129999999999995 109.326 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 656' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -50.3 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.468 1.773 . . . . 75.549999999999997 111.005 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 657' ' ' PHE . . . . . 0.816 ' CE2' HG22 ' A' ' 659' ' ' VAL . 44.9 p90 -65.47 159.46 24.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 72.25 111.004 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 7.1 m -90.31 150.06 22.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 70.010000000000005 109.997 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 659' ' ' VAL . . . . . 0.891 HG13 HD13 ' A' ' 569' ' ' LEU . 2.1 t -134.23 95.3 16.77 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 72.299999999999997 109.316 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 660' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 148.43 35.09 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.484 1.781 . . . . 64.049999999999997 111.01 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 661' ' ' ASP . . . . . 0.422 ' HA ' ' O ' ' A' ' 571' ' ' LYS . 17.3 p-10 -63.8 160.01 18.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 71.120000000000005 109.286 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 662' ' ' PHE . . . . . . . . . . . . . 41.6 t80 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 75.439999999999998 110.992 -179.943 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 546' ' ' GLN . . . . . 0.548 ' C ' ' CD1' ' A' ' 547' ' ' PHE . 11.8 mt-30 . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.294 -0.262 . . . . 70.209999999999994 110.294 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 547' ' ' PHE . . . . . 0.624 ' N ' ' CD1' ' A' ' 547' ' ' PHE . 0.2 OUTLIER -148.27 100.55 3.6 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.127 . . . . 63.340000000000003 111.046 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 548' ' ' PRO . . . . . 0.425 ' HB2' ' CG ' ' A' ' 550' ' ' GLU . 18.3 Cg_endo -74.97 139.31 24.21 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.513 1.796 . . . . 63.100000000000001 111.041 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 549' ' ' VAL . . . . . 0.584 HG12 ' HB2' ' A' ' 657' ' ' PHE . 27.9 m -49.24 -41.41 14.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 50.420000000000002 109.26 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 550' ' ' GLU . . . . . 0.425 ' CG ' ' HB2' ' A' ' 548' ' ' PRO . 4.3 pt-20 -56.45 -33.85 66.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 72.219999999999999 110.29 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -85.35 -17.08 37.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 74.140000000000001 109.59 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 552' ' ' VAL . . . . . 0.677 HG11 ' CD2' ' A' ' 657' ' ' PHE . 42.4 t -95.18 122.16 46.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 60.219999999999999 109.284 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 553' ' ' GLN . . . . . 0.434 ' O ' HD12 ' A' ' 555' ' ' LEU . 12.5 tt0 -109.1 150.69 27.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 73.439999999999998 110.307 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 554' ' ' LEU . . . . . 1.042 HD11 HD23 ' A' ' 569' ' ' LEU . 1.0 OUTLIER -91.4 113.31 25.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 74.150000000000006 109.334 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 555' ' ' LEU . . . . . 0.64 HD11 ' HB2' ' A' ' 641' ' ' GLU . 0.4 OUTLIER -134.46 -178.51 5.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 71.439999999999998 109.302 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 556' ' ' CYS . . . . . 0.597 ' O ' ' N ' ' A' ' 560' ' ' MET . 4.3 t -108.06 108.07 19.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.995 -1.002 . . . . 74.099999999999994 110.915 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 557' ' ' ILE . . . . . 0.877 HD13 ' O ' ' A' ' 636' ' ' ARG . 1.1 pt -36.51 -32.36 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 74.349999999999994 109.283 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 558' ' ' ASN . . . . . 0.492 ' N ' ' O ' ' A' ' 556' ' ' CYS . 8.1 m-20 -83.85 -65.38 1.02 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.565 1.165 . . . . 53.32 109.284 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 559' ' ' CYS . . . . . 1.213 ' CB ' ' SG ' ' A' ' 615' ' ' CYS . 3.3 m -65.38 -64.48 0.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 51.350000000000001 108.344 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 560' ' ' MET . . . . . 0.597 ' N ' ' O ' ' A' ' 556' ' ' CYS . 10.1 mtm 67.44 42.97 2.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.106 . . . . 75.519999999999996 111.016 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 561' ' ' VAL . . . . . 0.684 ' O ' ' HB3' ' A' ' 562' ' ' ALA . 1.0 OUTLIER -111.22 -2.0 10.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 73.329999999999998 109.276 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 562' ' ' ALA . . . . . 0.684 ' HB3' ' O ' ' A' ' 561' ' ' VAL . . . 82.66 108.09 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 74.010000000000005 109.287 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 563' ' ' VAL . . . . . 0.674 HG12 ' CD1' ' A' ' 587' ' ' TYR . 1.1 m -106.16 -7.38 10.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 73.349999999999994 109.269 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -179.04 -159.66 23.61 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.52 1.137 . . . . 24.239999999999998 111.043 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 565' ' ' HIS . . . . . . . . . . . . . 28.1 m80 -126.14 147.72 49.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 0.771 . . . . 74.239999999999995 109.592 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 566' ' ' GLY . . . . . 0.512 ' O ' HD11 ' A' ' 569' ' ' LEU . . . -74.95 -17.03 80.25 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.501 1.126 . . . . 71.319999999999993 111.008 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 567' ' ' SER . . . . . 0.416 ' OG ' HG23 ' A' ' 549' ' ' VAL . 8.8 t -101.85 9.61 40.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 0.746 . . . . 73.310000000000002 110.0 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -111.69 -17.74 12.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 71.049999999999997 109.289 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 569' ' ' LEU . . . . . 1.042 HD23 HD11 ' A' ' 554' ' ' LEU . 0.2 OUTLIER -85.55 162.72 18.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 54.310000000000002 109.257 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 570' ' ' ARG . . . . . 0.447 ' CB ' ' O ' ' A' ' 660' ' ' PRO . 0.0 OUTLIER -155.93 149.13 24.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 74.5 110.314 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 571' ' ' LYS . . . . . 0.483 ' HE2' ' CE1' ' A' ' 577' ' ' HIS . 17.8 ttmt -74.0 158.66 33.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 64.239999999999995 109.272 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 572' ' ' VAL . . . . . 0.516 HG12 ' HG2' ' A' ' 573' ' ' GLU . 2.2 t -119.3 107.98 22.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 74.329999999999998 109.299 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 573' ' ' GLU . . . . . 0.516 ' HG2' HG12 ' A' ' 572' ' ' VAL . 11.4 pt-20 43.89 36.02 1.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 75.349999999999994 110.296 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 47.07 48.57 19.43 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.554 1.159 . . . . 52.229999999999997 111.032 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 2.0 m -116.21 -44.76 2.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 0.772 . . . . 65.040000000000006 110.376 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 576' ' ' HIS . . . . . 0.466 ' O ' HG13 ' A' ' 578' ' ' VAL . 6.0 m80 -164.14 140.7 6.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 70.230000000000004 109.591 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 577' ' ' HIS . . . . . 0.694 ' CG ' ' CE3' ' A' ' 652' ' ' TRP . 40.6 m-70 -66.4 129.69 40.68 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.491 1.119 . . . . 64.430000000000007 109.629 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 578' ' ' VAL . . . . . 0.502 ' CG2' HG23 ' A' ' 572' ' ' VAL . 4.4 m -134.76 125.14 45.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 71.349999999999994 109.351 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 579' ' ' ASN . . . . . 0.5 ' HB3' HD23 ' A' ' 633' ' ' LEU . 2.1 t-20 -94.21 118.61 31.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 62.210000000000001 109.304 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 580' ' ' VAL . . . . . 0.841 HG22 HD22 ' A' ' 630' ' ' LEU . 3.7 t -91.3 138.23 20.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 71.010000000000005 109.311 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 581' ' ' ASN . . . . . 0.496 HD21 ' ND2' ' A' ' 583' ' ' ASN . 23.5 t-20 173.14 130.89 0.1 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 63.399999999999999 109.303 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 582' ' ' PRO . . . . . 0.424 ' HD2' ' ND2' ' A' ' 581' ' ' ASN . 18.2 Cg_endo -75.0 -25.93 11.4 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.532 1.806 . . . . 72.129999999999995 110.992 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 583' ' ' ASN . . . . . 0.496 ' ND2' HD21 ' A' ' 581' ' ' ASN . 0.2 OUTLIER -80.14 -0.6 36.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 65.299999999999997 109.291 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 584' ' ' PHE . . . . . 0.491 ' O ' ' CD2' ' A' ' 588' ' ' TYR . 2.2 t80 -78.1 -28.74 48.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 62.32 111.004 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 11.3 p -60.08 -27.41 66.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.09 . . . . 64.099999999999994 109.946 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -87.22 -11.64 49.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 60.450000000000003 109.28 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 587' ' ' TYR . . . . . 0.674 ' CD1' HG12 ' A' ' 563' ' ' VAL . 2.8 m-85 -97.99 5.14 49.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 74.439999999999998 111.015 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 588' ' ' TYR . . . . . 0.866 ' CD1' HG23 ' A' ' 610' ' ' ILE . 1.0 OUTLIER -168.14 158.9 10.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 73.510000000000005 111.029 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 589' ' ' ASN . . . . . 0.483 ' ND2' ' N ' ' A' ' 589' ' ' ASN . 0.0 OUTLIER -135.57 121.85 20.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.459 1.099 . . . . 74.329999999999998 109.31 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 590' ' ' VAL . . . . . 0.71 HG23 ' HE1' ' A' ' 588' ' ' TYR . 67.1 t -72.45 149.65 8.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 74.239999999999995 109.328 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 4.2 t . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 75.25 109.993 -179.963 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 604' ' ' TRP . . . . . 0.513 ' CE2' ' SD ' ' A' ' 623' ' ' MET . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 107.991 -1.115 . . . . 74.019999999999996 107.991 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 605' ' ' LYS . . . . . 0.403 ' O ' ' SD ' ' A' ' 623' ' ' MET . 6.5 ptpt -92.13 163.41 27.3 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 73.530000000000001 109.309 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 606' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 161.09 39.19 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.513 1.797 . . . . 53.219999999999999 111.015 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 607' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 622' ' ' GLN . . . -123.55 -59.62 0.19 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.539 1.149 . . . . 71.25 110.989 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 608' ' ' GLY . . . . . 0.42 ' O ' ' HA ' ' A' ' 621' ' ' LEU . . . 148.23 148.23 4.7 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.021 -0.832 . . . . 63.450000000000003 111.021 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 609' ' ' VAL . . . . . 0.498 HG12 HG13 ' A' ' 618' ' ' VAL . 11.8 t -56.27 131.23 19.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.535 0.785 . . . . 71.340000000000003 109.339 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 610' ' ' ILE . . . . . 0.866 HG23 ' CD1' ' A' ' 588' ' ' TYR . 0.8 OUTLIER -103.68 143.92 14.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 54.530000000000001 109.309 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 611' ' ' SER . . . . . 0.401 ' O ' ' HA ' ' A' ' 588' ' ' TYR . 0.7 OUTLIER -137.07 118.35 14.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 63.32 109.979 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 612' ' ' CYS . . . . . 0.483 ' HB2' ' CE2' ' A' ' 619' ' ' TRP . 42.2 t -49.01 118.45 2.63 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.502 1.126 . . . . 72.420000000000002 108.301 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -67.61 -28.83 68.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.577 1.173 . . . . 64.230000000000004 110.305 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 614' ' ' ASN . . . . . 0.503 ' ND2' HG22 ' A' ' 561' ' ' VAL . 47.7 m-20 -65.8 -39.36 90.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 71.140000000000001 109.286 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 615' ' ' CYS . . . . . 1.213 ' SG ' ' CB ' ' A' ' 559' ' ' CYS . 0.0 OUTLIER -123.47 -76.15 0.59 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 62.229999999999997 108.323 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 616' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 148.77 -18.28 1.25 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.493 1.121 . . . . 72.209999999999994 110.961 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -42.7 102.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 0.74 . . . . 53.509999999999998 110.258 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 618' ' ' VAL . . . . . 0.498 HG13 HG12 ' A' ' 609' ' ' VAL . 86.2 t -55.66 109.31 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.171 . . . . 73.319999999999993 109.335 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 619' ' ' TRP . . . . . 0.527 ' NE1' ' CE ' ' A' ' 638' ' ' MET . 30.3 m0 -66.9 -54.75 19.08 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.973 -1.121 . . . . 74.219999999999999 107.973 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 620' ' ' GLY . . . . . 0.407 ' O ' ' HA ' ' A' ' 609' ' ' VAL . . . -178.82 -96.83 0.1 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.515 1.134 . . . . 54.020000000000003 111.008 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 621' ' ' LEU . . . . . 0.819 ' C ' HD23 ' A' ' 621' ' ' LEU . 0.0 OUTLIER -162.74 170.72 17.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 0.761 . . . . 42.420000000000002 109.321 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 622' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 607' ' ' GLY . 0.6 OUTLIER -101.9 157.62 16.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 75.150000000000006 110.295 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 623' ' ' MET . . . . . 0.678 ' C ' HD12 ' A' ' 624' ' ' ILE . 9.8 mmt -140.83 149.87 42.56 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.51 1.132 . . . . 64.120000000000005 110.993 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 624' ' ' ILE . . . . . 0.776 ' N ' HD12 ' A' ' 624' ' ' ILE . 2.7 mp -121.46 124.97 72.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 73.439999999999998 109.271 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 625' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -131.82 111.65 11.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 74.209999999999994 111.017 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 626' ' ' LYS . . . . . 0.507 ' O ' ' CB ' ' A' ' 627' ' ' SER . 0.0 OUTLIER 63.74 21.35 12.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 73.439999999999998 109.305 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 627' ' ' SER . . . . . 0.507 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.2 p 85.66 37.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 42.340000000000003 109.955 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 628' ' ' VAL . . . . . 0.756 ' CG1' HD21 ' A' ' 630' ' ' LEU . 54.6 t -124.9 114.38 40.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 71.310000000000002 109.27 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 629' ' ' LYS . . . . . 0.467 ' O ' HD23 ' A' ' 630' ' ' LEU . 3.4 mmmm -75.31 100.35 4.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 74.140000000000001 109.286 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 630' ' ' LEU . . . . . 0.841 HD22 HG22 ' A' ' 580' ' ' VAL . 32.6 mt -119.0 111.63 37.0 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 74.319999999999993 109.274 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 631' ' ' PRO . . . . . 0.648 ' HB2' HD11 ' A' ' 633' ' ' LEU . 18.2 Cg_endo -75.03 138.51 23.05 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.494 1.786 . . . . 70.030000000000001 110.987 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 632' ' ' VAL . . . . . 0.529 ' C ' HD13 ' A' ' 633' ' ' LEU . 31.0 t -100.09 89.08 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 73.329999999999998 109.267 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 633' ' ' LEU . . . . . 0.707 ' N ' HD13 ' A' ' 633' ' ' LEU . 0.1 OUTLIER -91.3 171.35 9.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 74.219999999999999 109.285 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 634' ' ' LYS . . . . . 0.581 ' CE ' ' CG ' ' A' ' 636' ' ' ARG . 1.5 ptmt -111.63 -171.39 1.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 74.409999999999997 109.324 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 635' ' ' VAL . . . . . 0.465 HG12 ' CD1' ' A' ' 652' ' ' TRP . 1.3 p -106.74 -44.31 7.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 74.219999999999999 109.259 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 636' ' ' ARG . . . . . 0.877 ' O ' HD13 ' A' ' 557' ' ' ILE . 2.9 ptp180 -60.15 -14.49 17.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 61.549999999999997 110.266 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 1.6 t -108.47 -16.11 14.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 50.340000000000003 109.988 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 638' ' ' MET . . . . . 0.527 ' CE ' ' NE1' ' A' ' 619' ' ' TRP . 34.9 mmt -106.41 122.35 46.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 71.349999999999994 110.981 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 639' ' ' LEU . . . . . 0.76 HD13 ' H ' ' A' ' 640' ' ' LEU . 0.3 OUTLIER -86.29 146.71 26.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 72.349999999999994 109.355 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 640' ' ' LEU . . . . . 0.76 ' H ' HD13 ' A' ' 639' ' ' LEU . 12.5 mt -114.33 95.47 5.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 60.109999999999999 109.331 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . 0.64 ' HB2' HD11 ' A' ' 555' ' ' LEU . 10.3 mt-10 -73.93 126.19 29.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 73.420000000000002 110.277 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 642' ' ' THR . . . . . 0.431 HG21 HD12 ' A' ' 647' ' ' ILE . 0.1 OUTLIER -138.83 159.98 64.93 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 74.549999999999997 110.38 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 1.22 8.01 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.509 1.794 . . . . 74.019999999999996 111.015 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 644' ' ' GLN . . . . . 0.433 ' NE2' ' O ' ' A' ' 546' ' ' GLN . 20.2 mt-30 -105.41 -10.67 16.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 71.340000000000003 110.285 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 124.46 134.69 4.28 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.514 1.134 . . . . 71.310000000000002 111.003 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 646' ' ' ARG . . . . . 0.436 ' HB3' HD11 ' A' ' 639' ' ' LEU . 7.2 mtm105 -44.31 148.84 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 0.729 . . . . 72.299999999999997 110.316 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 647' ' ' ILE . . . . . 0.431 HD12 HG21 ' A' ' 642' ' ' THR . 20.9 mt -138.72 138.82 41.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 70.549999999999997 109.296 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 648' ' ' GLN . . . . . 0.401 ' OE1' ' O ' ' A' ' 649' ' ' ALA . 0.1 OUTLIER -135.13 110.78 9.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 63.130000000000003 110.292 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 649' ' ' ALA . . . . . 0.501 ' HB1' ' HB2' ' A' ' 654' ' ' ARG . . . -106.54 165.72 11.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 53.200000000000003 109.319 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 11.9 mmtt -96.82 -32.77 11.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 55.299999999999997 109.302 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 18.7 mmmt -124.29 144.52 49.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 70.219999999999999 109.289 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 652' ' ' TRP . . . . . 0.694 ' CE3' ' CG ' ' A' ' 577' ' ' HIS . 42.5 m95 -61.53 -17.04 53.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 63.210000000000001 108.002 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 12.6 t -63.21 -12.97 32.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 62.399999999999999 110.016 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 654' ' ' ARG . . . . . 0.501 ' HB2' ' HB1' ' A' ' 649' ' ' ALA . 10.4 mmt180 -104.91 -26.62 12.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 75.129999999999995 110.3 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 655' ' ' VAL . . . . . 0.758 HG22 HD11 ' A' ' 640' ' ' LEU . 2.2 t -42.01 129.38 2.61 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.102 . . . . 53.399999999999999 109.289 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 656' ' ' PRO . . . . . 0.537 ' HD2' HD13 ' A' ' 640' ' ' LEU . 18.2 Cg_endo -75.01 -52.76 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.49 1.784 . . . . 74.120000000000005 110.982 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 657' ' ' PHE . . . . . 0.927 ' CE1' HG22 ' A' ' 659' ' ' VAL . 18.0 p90 -61.7 149.12 40.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.439 1.087 . . . . 72.129999999999995 110.944 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -84.71 146.37 27.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 72.349999999999994 109.992 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 659' ' ' VAL . . . . . 0.927 HG22 ' CE1' ' A' ' 657' ' ' PHE . 1.7 t -122.75 96.52 45.28 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 62.310000000000002 109.271 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 660' ' ' PRO . . . . . 0.447 ' O ' ' CB ' ' A' ' 570' ' ' ARG . 18.3 Cg_endo -75.0 147.38 33.85 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.474 1.776 . . . . 71.430000000000007 111.035 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 661' ' ' ASP . . . . . 0.404 ' HA ' ' O ' ' A' ' 571' ' ' LYS . 10.0 p30 -59.08 162.56 4.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 74.140000000000001 109.34 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 662' ' ' PHE . . . . . 0.743 ' CZ ' HG11 ' A' ' 628' ' ' VAL . 29.8 t80 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 74.209999999999994 110.985 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 546' ' ' GLN . . . . . 0.539 ' O ' ' CG ' ' A' ' 547' ' ' PHE . 5.6 mt-30 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.277 -0.268 . . . . 63.32 110.277 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 547' ' ' PHE . . . . . 0.675 ' CE1' HD11 ' A' ' 647' ' ' ILE . 93.8 m-85 -163.13 96.06 1.09 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 62.109999999999999 111.0 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 548' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 145.04 31.03 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.471 1.774 . . . . 51.43 111.044 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 549' ' ' VAL . . . . . 0.52 HG12 ' HB2' ' A' ' 657' ' ' PHE . 28.0 m -54.92 -43.97 70.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.108 . . . . 75.109999999999999 109.285 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -57.1 -18.68 15.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 74.439999999999998 110.267 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -101.48 -22.89 14.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 61.210000000000001 109.601 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 552' ' ' VAL . . . . . 0.782 HG21 ' HB3' ' A' ' 657' ' ' PHE . 55.3 t -88.78 129.67 39.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 51.210000000000001 109.338 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -117.86 148.76 41.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 72.400000000000006 110.32 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 554' ' ' LEU . . . . . 0.914 HD11 HD23 ' A' ' 569' ' ' LEU . 1.2 mt -92.06 114.08 26.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 63.240000000000002 109.303 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 555' ' ' LEU . . . . . 0.812 HD11 ' HB2' ' A' ' 641' ' ' GLU . 0.2 OUTLIER -135.06 177.26 7.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 71.409999999999997 109.314 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 556' ' ' CYS . . . . . 0.545 ' O ' ' N ' ' A' ' 560' ' ' MET . 5.3 t -102.51 102.55 12.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.013 -0.994 . . . . 73.319999999999993 110.881 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 557' ' ' ILE . . . . . 0.861 HD13 ' O ' ' A' ' 636' ' ' ARG . 1.3 pt -34.65 -34.21 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 73.140000000000001 109.299 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 558' ' ' ASN . . . . . 0.515 ' N ' ' O ' ' A' ' 556' ' ' CYS . 5.1 m-20 -73.95 -62.02 1.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 52.420000000000002 109.311 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 559' ' ' CYS . . . . . 1.158 ' CB ' ' SG ' ' A' ' 615' ' ' CYS . 1.7 m -80.59 -67.98 0.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 61.020000000000003 108.279 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 560' ' ' MET . . . . . 0.545 ' N ' ' O ' ' A' ' 556' ' ' CYS . 25.0 mtm 78.26 45.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 72.299999999999997 111.04 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 561' ' ' VAL . . . . . 0.696 ' O ' ' HB3' ' A' ' 562' ' ' ALA . 1.0 OUTLIER -104.95 -4.79 9.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 64.329999999999998 109.323 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 562' ' ' ALA . . . . . 0.696 ' HB3' ' O ' ' A' ' 561' ' ' VAL . . . 85.78 101.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 75.25 109.337 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 563' ' ' VAL . . . . . 0.693 HG12 ' CD1' ' A' ' 587' ' ' TYR . 1.7 m -99.71 -6.2 9.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 70.349999999999994 109.311 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -179.92 -160.22 25.05 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.505 1.128 . . . . 53.200000000000003 110.999 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 565' ' ' HIS . . . . . . . . . . . . . 15.0 m-70 -127.22 148.72 50.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 0.768 . . . . 63.020000000000003 109.557 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 566' ' ' GLY . . . . . 0.573 ' O ' HD11 ' A' ' 569' ' ' LEU . . . -74.64 -9.67 82.55 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.517 1.135 . . . . 73.209999999999994 111.009 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 15.9 t -106.5 7.58 30.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 0.758 . . . . 45.43 109.974 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -113.48 -11.9 13.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 74.140000000000001 109.35 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 569' ' ' LEU . . . . . 0.914 HD23 HD11 ' A' ' 554' ' ' LEU . 0.2 OUTLIER -86.04 151.4 23.74 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 71.109999999999999 109.33 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 570' ' ' ARG . . . . . 0.746 ' HA ' HG23 ' A' ' 659' ' ' VAL . 92.0 mtt-85 -143.66 132.08 22.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 65.230000000000004 110.314 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 4.1 ptpt -73.99 158.25 34.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 71.329999999999998 109.274 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 572' ' ' VAL . . . . . 0.498 HG23 ' CG2' ' A' ' 578' ' ' VAL . 2.7 t -109.34 102.34 13.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 64.310000000000002 109.34 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 573' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 572' ' ' VAL . 8.0 pt-20 38.67 30.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 74.200000000000003 110.29 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 574' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 572' ' ' VAL . . . 58.54 49.66 74.64 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.54 1.15 . . . . 33.240000000000002 110.989 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 575' ' ' THR . . . . . 0.531 ' O ' ' CG ' ' A' ' 576' ' ' HIS . 2.0 m -117.23 -35.89 3.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 0.749 . . . . 35.020000000000003 110.437 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 576' ' ' HIS . . . . . 0.848 ' O ' HG13 ' A' ' 578' ' ' VAL . 6.0 m80 -173.64 109.51 0.16 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 72.510000000000005 109.598 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 577' ' ' HIS . . . . . 0.716 ' CD2' ' CE3' ' A' ' 652' ' ' TRP . 11.3 m80 -47.12 127.52 10.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 75.239999999999995 109.618 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 578' ' ' VAL . . . . . 0.848 HG13 ' O ' ' A' ' 576' ' ' HIS . 23.1 m -133.23 108.41 12.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 75.140000000000001 109.309 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 579' ' ' ASN . . . . . 0.577 ' OD1' ' CE1' ' A' ' 584' ' ' PHE . 1.5 t-20 -76.55 115.27 16.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.533 1.146 . . . . 65.129999999999995 109.301 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 580' ' ' VAL . . . . . 0.947 HG22 HD22 ' A' ' 630' ' ' LEU . 3.6 t -85.65 138.72 18.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 74.030000000000001 109.327 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 581' ' ' ASN . . . . . 0.469 ' CB ' ' HB2' ' A' ' 584' ' ' PHE . 2.9 m120 178.06 129.27 0.21 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 71.319999999999993 109.278 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 582' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -34.44 3.86 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.488 1.783 . . . . 71.25 111.028 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 583' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -78.23 -3.05 40.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 74.439999999999998 109.316 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 584' ' ' PHE . . . . . 0.577 ' CE1' ' OD1' ' A' ' 579' ' ' ASN . 2.3 t80 -71.18 -32.43 68.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 73.340000000000003 110.978 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 585' ' ' SER . . . . . 0.531 ' HA ' ' CE2' ' A' ' 588' ' ' TYR . 72.8 m -59.38 -23.48 62.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 73.299999999999997 110.021 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -87.38 -15.7 37.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 74.239999999999995 109.29 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 587' ' ' TYR . . . . . 0.693 ' CD1' HG12 ' A' ' 563' ' ' VAL . 5.1 m-85 -94.24 2.07 55.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 71.109999999999999 111.013 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 588' ' ' TYR . . . . . 0.702 ' CD1' HG23 ' A' ' 610' ' ' ILE . 2.1 p90 -161.17 163.55 31.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 60.530000000000001 110.996 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 589' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -131.09 126.46 35.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 73.319999999999993 109.301 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 590' ' ' VAL . . . . . 0.645 HG23 ' HE1' ' A' ' 588' ' ' TYR . 13.2 t -72.79 141.42 16.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 51.350000000000001 109.283 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 3.9 t . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 75.239999999999995 110.014 -179.994 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 604' ' ' TRP . . . . . 0.488 ' CE3' ' HB3' ' A' ' 623' ' ' MET . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 107.999 -1.112 . . . . 73.299999999999997 107.999 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 605' ' ' LYS . . . . . . . . . . . . . 9.4 pttt -86.61 165.33 33.38 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 74.019999999999996 109.234 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 606' ' ' PRO . . . . . 0.44 ' HA ' ' SD ' ' A' ' 623' ' ' MET . 18.4 Cg_endo -75.04 -169.47 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.497 1.788 . . . . 75.049999999999997 111.008 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 607' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 622' ' ' GLN . . . -150.44 -74.27 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.503 1.127 . . . . 40.329999999999998 111.01 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 608' ' ' GLY . . . . . 0.489 ' HA3' HG13 ' A' ' 590' ' ' VAL . . . 176.53 161.36 25.32 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.009 -0.836 . . . . 74.540000000000006 111.009 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 10.9 t -63.8 131.87 29.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.504 0.767 . . . . 72.5 109.318 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 610' ' ' ILE . . . . . 0.702 HG23 ' CD1' ' A' ' 588' ' ' TYR . 0.6 OUTLIER -99.81 142.5 15.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 72.409999999999997 109.295 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -134.66 129.11 34.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 73.430000000000007 110.026 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 612' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 616' ' ' GLY . 38.1 t -59.12 108.06 0.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 75.329999999999998 108.291 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 7.7 ttt180 -64.95 -32.96 74.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 73.540000000000006 110.255 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 614' ' ' ASN . . . . . 0.414 ' ND2' HG21 ' A' ' 561' ' ' VAL . 3.5 m120 -57.77 -48.38 79.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 72.340000000000003 109.251 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 615' ' ' CYS . . . . . 1.158 ' SG ' ' CB ' ' A' ' 559' ' ' CYS . 3.1 m -117.83 -73.66 0.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 61.329999999999998 108.289 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 616' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 157.17 -23.77 0.46 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.461 1.101 . . . . 62.219999999999999 111.005 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -42.76 109.12 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 0.742 . . . . 74.030000000000001 110.313 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 11.6 t -58.12 131.12 22.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 71.109999999999999 109.321 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 619' ' ' TRP . . . . . 0.534 ' NE1' ' CE ' ' A' ' 638' ' ' MET . 45.1 m0 -88.04 -46.33 9.42 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.952 -1.129 . . . . 74.450000000000003 107.952 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 620' ' ' GLY . . . . . . . . . . . . . . . 166.09 -108.44 0.32 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.496 1.122 . . . . 63.549999999999997 110.988 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 621' ' ' LEU . . . . . 0.658 ' C ' HD12 ' A' ' 621' ' ' LEU . 0.4 OUTLIER -149.32 169.95 19.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 0.763 . . . . 74.099999999999994 109.354 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 622' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 607' ' ' GLY . 1.1 tt0 -105.21 138.69 41.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 55.240000000000002 110.278 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 623' ' ' MET . . . . . 0.617 ' HG3' HG21 ' A' ' 632' ' ' VAL . 16.6 mmm -131.37 133.06 44.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 72.439999999999998 111.036 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 624' ' ' ILE . . . . . 0.446 ' N ' HD12 ' A' ' 624' ' ' ILE . 5.2 mp -99.98 137.71 26.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 75.230000000000004 109.306 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 625' ' ' TYR . . . . . 0.473 ' CD2' ' O ' ' A' ' 625' ' ' TYR . 15.0 t80 -136.77 105.02 5.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 73.510000000000005 110.975 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 626' ' ' LYS . . . . . 0.511 ' O ' ' CB ' ' A' ' 627' ' ' SER . 6.7 mmpt? 70.73 21.7 5.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 74.349999999999994 109.336 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 627' ' ' SER . . . . . 0.511 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.2 p 85.58 39.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 74.239999999999995 110.006 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 628' ' ' VAL . . . . . 0.728 HG12 ' HG ' ' A' ' 630' ' ' LEU . 43.5 t -129.39 110.48 20.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 74.120000000000005 109.294 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm -68.42 99.46 0.96 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 72.510000000000005 109.311 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 630' ' ' LEU . . . . . 0.947 HD22 HG22 ' A' ' 580' ' ' VAL . 46.0 mt -115.3 111.86 44.24 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 71.450000000000003 109.3 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 631' ' ' PRO . . . . . 0.686 ' HB2' HD11 ' A' ' 633' ' ' LEU . 18.2 Cg_endo -75.01 140.79 25.83 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.473 1.775 . . . . 73.109999999999999 110.998 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 632' ' ' VAL . . . . . 0.85 ' C ' HD13 ' A' ' 633' ' ' LEU . 5.5 t -106.27 99.98 9.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 61.219999999999999 109.302 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 633' ' ' LEU . . . . . 0.85 HD13 ' C ' ' A' ' 632' ' ' VAL . 0.0 OUTLIER -104.54 171.31 7.4 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.123 . . . . 72.530000000000001 109.271 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 634' ' ' LYS . . . . . 0.478 ' CD ' ' O ' ' A' ' 619' ' ' TRP . 0.5 OUTLIER -97.93 -172.3 2.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 74.549999999999997 109.283 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 635' ' ' VAL . . . . . 0.526 HG11 ' CA ' ' A' ' 651' ' ' LYS . 4.2 p -109.1 -22.69 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 71.200000000000003 109.298 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 636' ' ' ARG . . . . . 0.861 ' O ' HD13 ' A' ' 557' ' ' ILE . 0.0 OUTLIER -83.99 -12.49 55.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 73.420000000000002 110.286 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 637' ' ' SER . . . . . 0.473 ' O ' ' HE2' ' A' ' 638' ' ' MET . 11.0 m -102.25 -15.39 16.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.12 . . . . 74.349999999999994 110.04 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 638' ' ' MET . . . . . 0.534 ' CE ' ' NE1' ' A' ' 619' ' ' TRP . 34.6 mmt -109.81 128.8 55.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 74.420000000000002 110.982 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 639' ' ' LEU . . . . . 0.693 HD12 ' HA ' ' A' ' 557' ' ' ILE . 0.7 OUTLIER -95.81 150.85 19.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 64.349999999999994 109.307 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 640' ' ' LEU . . . . . 0.492 HD13 ' O ' ' A' ' 639' ' ' LEU . 0.9 OUTLIER -113.41 94.75 5.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 64.129999999999995 109.311 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . 0.812 ' HB2' HD11 ' A' ' 555' ' ' LEU . 7.0 mt-10 -73.82 121.6 21.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 50.240000000000002 110.27 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 642' ' ' THR . . . . . 0.627 HG21 HD12 ' A' ' 647' ' ' ILE . 0.1 OUTLIER -131.33 160.12 68.6 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 52.32 110.411 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 1.79 7.31 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.523 1.801 . . . . 71.299999999999997 110.974 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -108.96 -4.55 16.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 71.230000000000004 110.294 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 124.27 146.02 6.83 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.53 1.144 . . . . 54.210000000000001 111.039 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 646' ' ' ARG . . . . . 0.458 ' HB3' HD21 ' A' ' 639' ' ' LEU . 55.2 mtm-85 -55.81 146.37 21.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 0.746 . . . . 75.129999999999995 110.332 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 647' ' ' ILE . . . . . 0.675 HD11 ' CE1' ' A' ' 547' ' ' PHE . 49.2 mt -136.24 121.51 27.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 35.140000000000001 109.27 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 648' ' ' GLN . . . . . 0.417 ' NE2' ' HA ' ' A' ' 636' ' ' ARG . 0.8 OUTLIER -120.83 109.77 15.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 74.549999999999997 110.32 179.921 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 649' ' ' ALA . . . . . . . . . . . . . . . -107.32 176.07 5.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.437 1.086 . . . . 71.409999999999997 109.298 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 28.4 mttm -124.25 1.62 8.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 73.340000000000003 109.277 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 651' ' ' LYS . . . . . 0.526 ' CA ' HG11 ' A' ' 635' ' ' VAL . 0.7 OUTLIER -145.24 137.35 25.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 54.420000000000002 109.292 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 652' ' ' TRP . . . . . 0.716 ' CE3' ' CD2' ' A' ' 577' ' ' HIS . 65.0 m95 -66.98 -12.33 59.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 74.409999999999997 108.0 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 47.1 t -72.04 -19.98 61.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 63.509999999999998 109.991 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 654' ' ' ARG . . . . . . . . . . . . . 10.3 mmt180 -103.06 -16.33 15.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 72.140000000000001 110.312 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 655' ' ' VAL . . . . . 0.665 HG13 ' CD1' ' A' ' 657' ' ' PHE . 2.2 t -40.23 132.97 1.57 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 71.120000000000005 109.287 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 656' ' ' PRO . . . . . 0.461 ' HB2' ' CB ' ' A' ' 547' ' ' PHE . 18.4 Cg_endo -75.0 -53.94 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.514 1.797 . . . . 73.349999999999994 111.005 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 657' ' ' PHE . . . . . 0.782 ' HB3' HG21 ' A' ' 552' ' ' VAL . 49.6 p90 -66.5 172.15 4.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 73.030000000000001 111.009 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 658' ' ' SER . . . . . 0.459 ' O ' HG11 ' A' ' 549' ' ' VAL . 0.8 OUTLIER -120.46 150.05 41.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 71.319999999999993 109.969 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 659' ' ' VAL . . . . . 0.746 HG23 ' HA ' ' A' ' 570' ' ' ARG . 0.1 OUTLIER -149.29 115.3 3.63 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 65.420000000000002 109.317 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 660' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 173.68 14.09 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.531 1.806 . . . . 72.109999999999999 110.975 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.32 150.77 44.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 64.120000000000005 109.298 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 662' ' ' PHE . . . . . 0.466 ' CZ ' HG11 ' A' ' 628' ' ' VAL . 64.1 t80 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 75.129999999999995 110.981 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 546' ' ' GLN . . . . . 0.593 ' C ' ' CD1' ' A' ' 547' ' ' PHE . 10.1 mt-30 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 110.272 -0.27 . . . . 72.239999999999995 110.272 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 547' ' ' PHE . . . . . 0.593 ' CD1' ' C ' ' A' ' 546' ' ' GLN . 0.1 OUTLIER -159.28 101.77 1.54 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 75.400000000000006 110.999 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 548' ' ' PRO . . . . . 0.464 ' O ' HG23 ' A' ' 552' ' ' VAL . 18.2 Cg_endo -75.03 140.67 25.64 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.504 1.792 . . . . 75.200000000000003 111.022 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 549' ' ' VAL . . . . . 0.596 HG12 ' HB2' ' A' ' 657' ' ' PHE . 33.7 m -52.47 -46.43 47.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 63.329999999999998 109.307 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 550' ' ' GLU . . . . . 0.411 ' N ' HG23 ' A' ' 549' ' ' VAL . 3.1 pt-20 -54.03 -24.19 16.19 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 72.450000000000003 110.298 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 551' ' ' HIS . . . . . 0.449 ' CG ' ' HG2' ' A' ' 548' ' ' PRO . 23.2 m170 -98.24 -24.15 15.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 63.009999999999998 109.597 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 552' ' ' VAL . . . . . 0.588 ' CG1' HD12 ' A' ' 640' ' ' LEU . 98.9 t -88.56 121.73 39.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 73.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 553' ' ' GLN . . . . . 0.74 ' HB3' HD11 ' A' ' 555' ' ' LEU . 9.5 tt0 -107.48 169.74 8.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 54.439999999999998 110.308 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 554' ' ' LEU . . . . . 0.796 HD11 HD23 ' A' ' 569' ' ' LEU . 1.9 mt -107.7 106.54 16.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 75.040000000000006 109.313 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 555' ' ' LEU . . . . . 0.84 HD12 ' N ' ' A' ' 555' ' ' LEU . 0.1 OUTLIER -122.83 170.63 9.9 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.469 1.106 . . . . 75.219999999999999 109.283 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 556' ' ' CYS . . . . . 0.556 ' O ' ' N ' ' A' ' 560' ' ' MET . 3.6 t -102.54 110.11 21.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 114.976 -1.011 . . . . 62.340000000000003 110.923 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 557' ' ' ILE . . . . . 0.894 HD13 ' O ' ' A' ' 636' ' ' ARG . 0.7 OUTLIER -36.46 -31.89 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 74.409999999999997 109.262 -179.911 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 558' ' ' ASN . . . . . 0.502 ' N ' ' O ' ' A' ' 556' ' ' CYS . 5.7 m-20 -86.53 -67.02 0.84 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 71.040000000000006 109.307 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 559' ' ' CYS . . . . . 1.033 ' CB ' ' SG ' ' A' ' 615' ' ' CYS . 3.9 m -62.53 -64.97 0.76 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 71.230000000000004 108.282 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 560' ' ' MET . . . . . 0.556 ' N ' ' O ' ' A' ' 556' ' ' CYS . 10.8 mtm 68.04 40.81 2.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 64.430000000000007 111.004 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 561' ' ' VAL . . . . . 0.431 HG22 ' ND2' ' A' ' 614' ' ' ASN . 1.0 OUTLIER -115.67 11.41 7.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 61.32 109.321 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 562' ' ' ALA . . . . . 0.422 ' HA ' ' HG ' ' A' ' 555' ' ' LEU . . . 65.8 113.43 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 74.329999999999998 109.318 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 563' ' ' VAL . . . . . 0.968 HG12 ' CD1' ' A' ' 587' ' ' TYR . 0.8 OUTLIER -108.69 -16.91 8.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 51.399999999999999 109.296 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 564' ' ' GLY . . . . . 0.554 ' O ' ' CD2' ' A' ' 565' ' ' HIS . . . -159.14 -141.03 3.04 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.444 1.09 . . . . 55.520000000000003 110.993 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 565' ' ' HIS . . . . . 0.582 ' CE1' ' OE1' ' A' ' 553' ' ' GLN . 38.7 m-70 -150.09 153.16 35.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 0.768 . . . . 75.219999999999999 109.598 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 566' ' ' GLY . . . . . 0.653 ' O ' HD11 ' A' ' 569' ' ' LEU . . . -85.38 -0.9 88.26 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.496 1.123 . . . . 43.039999999999999 110.959 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 54.8 p -112.48 2.02 16.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 0.741 . . . . 73.219999999999999 109.965 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 568' ' ' ASP . . . . . 0.441 ' O ' ' NH1' ' A' ' 570' ' ' ARG . 1.6 m-20 -110.82 -18.8 13.03 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 71.219999999999999 109.307 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 569' ' ' LEU . . . . . 0.796 HD23 HD11 ' A' ' 554' ' ' LEU . 0.2 OUTLIER -77.71 157.13 30.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 70.519999999999996 109.272 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 570' ' ' ARG . . . . . 0.664 ' HA ' HG23 ' A' ' 659' ' ' VAL . 8.0 mpt_? -132.14 -177.2 4.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 72.319999999999993 110.287 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 571' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 662' ' ' PHE . 15.1 ttmt -120.0 158.32 27.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 72.400000000000006 109.311 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 2.5 t -131.75 104.58 8.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 74.219999999999999 109.287 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 573' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 38.97 39.68 0.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 42.109999999999999 110.254 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 40.84 50.65 4.12 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.534 1.146 . . . . 55.5 110.974 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 575' ' ' THR . . . . . 0.537 ' O ' ' CG ' ' A' ' 576' ' ' HIS . 2.8 m -109.8 -50.63 2.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 0.754 . . . . 61.549999999999997 110.427 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 576' ' ' HIS . . . . . 0.721 ' O ' HG13 ' A' ' 578' ' ' VAL . 29.6 m80 -163.53 106.68 0.99 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 75.140000000000001 109.579 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 577' ' ' HIS . . . . . 0.643 ' CD2' ' CG ' ' A' ' 652' ' ' TRP . 22.7 m-70 -41.08 133.48 2.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 73.310000000000002 109.572 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 578' ' ' VAL . . . . . 0.721 HG13 ' O ' ' A' ' 576' ' ' HIS . 30.3 m -129.33 109.66 18.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 73.319999999999993 109.322 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 579' ' ' ASN . . . . . 0.481 ' HB3' HD23 ' A' ' 633' ' ' LEU . 1.6 t-20 -79.69 108.32 13.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 64.299999999999997 109.32 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 580' ' ' VAL . . . . . 0.801 HG13 HD23 ' A' ' 630' ' ' LEU . 2.5 t -82.31 140.21 16.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 55.130000000000003 109.271 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 581' ' ' ASN . . . . . 0.459 ' CB ' ' HB2' ' A' ' 584' ' ' PHE . 3.2 m120 179.42 128.39 0.23 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 74.439999999999998 109.325 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 582' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -33.54 4.54 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.504 1.792 . . . . 70.319999999999993 110.993 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 583' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -80.04 0.23 32.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 64.340000000000003 109.34 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 584' ' ' PHE . . . . . 0.525 ' O ' ' CD2' ' A' ' 588' ' ' TYR . 3.0 t80 -73.16 -30.19 63.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 63.049999999999997 110.962 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 585' ' ' SER . . . . . 0.466 ' HA ' ' CE2' ' A' ' 588' ' ' TYR . 30.0 p -57.94 -23.8 55.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 75.230000000000004 110.009 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -87.73 -17.85 30.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 74.310000000000002 109.317 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 587' ' ' TYR . . . . . 0.968 ' CD1' HG12 ' A' ' 563' ' ' VAL . 7.7 m-85 -93.74 4.55 53.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 64.430000000000007 110.994 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 588' ' ' TYR . . . . . 0.832 ' CD1' HG23 ' A' ' 610' ' ' ILE . 1.3 p90 -164.06 159.91 21.07 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.142 . . . . 75.409999999999997 111.004 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 589' ' ' ASN . . . . . 0.4 ' ND2' ' HB2' ' A' ' 613' ' ' ARG . 16.3 m-80 -135.88 129.43 32.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 70.530000000000001 109.33 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 590' ' ' VAL . . . . . 0.579 HG13 ' HA3' ' A' ' 608' ' ' GLY . 21.3 t -72.55 139.98 18.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 73.010000000000005 109.338 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 13.3 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 75.510000000000005 110.04 179.979 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 604' ' ' TRP . . . . . 0.549 ' CD2' ' SD ' ' A' ' 623' ' ' MET . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 107.98 -1.119 . . . . 74.430000000000007 107.98 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 605' ' ' LYS . . . . . . . . . . . . . 15.3 pttt -118.52 157.36 49.79 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 74.439999999999998 109.321 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 606' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 146.06 32.47 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.483 1.781 . . . . 72.219999999999999 111.015 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 607' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 622' ' ' GLN . . . -111.73 -93.21 2.13 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.485 1.116 . . . . 73.299999999999997 111.019 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 608' ' ' GLY . . . . . 0.579 ' HA3' HG13 ' A' ' 590' ' ' VAL . . . -160.74 144.6 10.08 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.005 -0.838 . . . . 65.409999999999997 111.005 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 609' ' ' VAL . . . . . 0.433 ' CG1' HG13 ' A' ' 618' ' ' VAL . 58.1 t -53.34 124.16 5.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.515 0.773 . . . . 52.32 109.267 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 610' ' ' ILE . . . . . 0.832 HG23 ' CD1' ' A' ' 588' ' ' TYR . 1.0 OUTLIER -93.76 145.09 8.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 64.420000000000002 109.306 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -142.82 117.38 9.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 62.340000000000003 109.951 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 612' ' ' CYS . . . . . 0.445 ' O ' ' N ' ' A' ' 616' ' ' GLY . 26.6 t -44.74 119.79 2.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 75.439999999999998 108.314 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 613' ' ' ARG . . . . . 0.4 ' HB2' ' ND2' ' A' ' 589' ' ' ASN . 10.1 ttt180 -69.36 -28.65 66.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 71.219999999999999 110.245 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 614' ' ' ASN . . . . . 0.431 ' ND2' HG22 ' A' ' 561' ' ' VAL . 91.4 m-20 -64.28 -39.62 94.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 72.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 615' ' ' CYS . . . . . 1.033 ' SG ' ' CB ' ' A' ' 559' ' ' CYS . 0.0 OUTLIER -121.69 -75.95 0.59 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 64.319999999999993 108.284 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 616' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 149.44 -18.64 1.16 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.496 1.123 . . . . 51.210000000000001 111.039 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -42.81 105.72 0.05 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 0.759 . . . . 53.109999999999999 110.294 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 618' ' ' VAL . . . . . 0.433 HG13 ' CG1' ' A' ' 609' ' ' VAL . 88.7 t -55.34 112.06 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 63.420000000000002 109.319 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 619' ' ' TRP . . . . . 0.801 ' CE2' ' HE3' ' A' ' 638' ' ' MET . 36.7 m0 -70.14 -54.45 12.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 72.219999999999999 108.011 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 620' ' ' GLY . . . . . 0.409 ' O ' ' HA ' ' A' ' 609' ' ' VAL . . . -179.37 -101.16 0.15 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.486 1.116 . . . . 55.109999999999999 110.993 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 621' ' ' LEU . . . . . 0.827 ' C ' HD23 ' A' ' 621' ' ' LEU . 0.0 OUTLIER -160.82 157.18 26.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 0.772 . . . . 73.340000000000003 109.289 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 622' ' ' GLN . . . . . 0.554 ' HA ' HD11 ' A' ' 610' ' ' ILE . 0.8 OUTLIER -86.27 137.17 32.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 71.340000000000003 110.309 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 623' ' ' MET . . . . . 0.679 ' C ' HD12 ' A' ' 624' ' ' ILE . 5.2 mmt -117.67 153.55 33.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 73.420000000000002 110.961 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 624' ' ' ILE . . . . . 0.795 ' N ' HD12 ' A' ' 624' ' ' ILE . 2.3 mp -118.95 133.81 64.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.572 1.17 . . . . 73.230000000000004 109.304 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 625' ' ' TYR . . . . . 0.438 ' HB3' HD12 ' A' ' 630' ' ' LEU . 24.8 t80 -139.08 107.38 5.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.122 . . . . 60.020000000000003 111.026 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 626' ' ' LYS . . . . . 0.505 ' O ' ' CB ' ' A' ' 627' ' ' SER . 0.1 OUTLIER 67.96 18.51 9.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 73.200000000000003 109.311 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 627' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.1 p 85.43 43.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.122 . . . . 71.540000000000006 110.023 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 628' ' ' VAL . . . . . 0.666 HG12 ' HG ' ' A' ' 630' ' ' LEU . 43.9 t -129.13 131.27 68.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 54.340000000000003 109.316 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 10.3 mmmt -77.9 100.03 6.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 73.230000000000004 109.302 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 630' ' ' LEU . . . . . 0.801 HD23 HG13 ' A' ' 580' ' ' VAL . 26.0 mt -120.46 112.54 34.16 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 75.420000000000002 109.262 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 631' ' ' PRO . . . . . 0.679 ' HB2' HD11 ' A' ' 633' ' ' LEU . 18.3 Cg_endo -74.99 138.23 22.79 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.544 1.813 . . . . 72.019999999999996 111.006 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 632' ' ' VAL . . . . . 0.731 ' C ' HD13 ' A' ' 633' ' ' LEU . 59.5 t -105.72 93.67 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 65.329999999999998 109.285 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 633' ' ' LEU . . . . . 0.815 ' N ' HD13 ' A' ' 633' ' ' LEU . 0.0 OUTLIER -98.5 171.94 7.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 74.409999999999997 109.282 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 2.4 pttt -110.92 -173.65 2.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.097 . . . . 45.32 109.281 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 635' ' ' VAL . . . . . 0.925 HG11 ' C ' ' A' ' 651' ' ' LYS . 8.9 p -103.01 -23.01 4.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 71.5 109.323 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 636' ' ' ARG . . . . . 0.894 ' O ' HD13 ' A' ' 557' ' ' ILE . 5.4 mtm180 -67.45 -39.01 85.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 73.400000000000006 110.313 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 88.8 p -89.55 -6.32 56.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 50.439999999999998 109.998 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 638' ' ' MET . . . . . 0.801 ' HE3' ' CE2' ' A' ' 619' ' ' TRP . 32.4 mmt -112.88 122.95 49.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.113 . . . . 72.120000000000005 111.014 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 639' ' ' LEU . . . . . 0.765 HD21 ' HD2' ' A' ' 646' ' ' ARG . 14.4 tp -98.2 138.07 36.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 75.510000000000005 109.365 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 640' ' ' LEU . . . . . 0.643 ' H ' HD12 ' A' ' 639' ' ' LEU . 1.9 mm? -99.76 116.92 32.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.138 . . . . 74.349999999999994 109.263 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . 0.461 ' CD ' HD21 ' A' ' 555' ' ' LEU . 7.4 mt-10 -89.37 129.7 35.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 74.540000000000006 110.302 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 642' ' ' THR . . . . . 0.666 HG21 HD12 ' A' ' 647' ' ' ILE . 0.2 OUTLIER -141.03 160.28 58.68 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 61.350000000000001 110.402 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 2.36 6.72 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.518 1.799 . . . . 75.420000000000002 111.033 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -109.48 -4.95 15.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 75.230000000000004 110.29 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 120.91 134.18 4.58 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.483 1.114 . . . . 50.409999999999997 110.972 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 646' ' ' ARG . . . . . 0.765 ' HD2' HD21 ' A' ' 639' ' ' LEU . 23.9 mtm-85 -46.36 148.26 0.97 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 0.778 . . . . 64.439999999999998 110.336 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 647' ' ' ILE . . . . . 0.666 HD12 HG21 ' A' ' 642' ' ' THR . 18.2 mt -133.6 121.54 41.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 75.319999999999993 109.299 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 648' ' ' GLN . . . . . 0.431 ' OE1' ' N ' ' A' ' 649' ' ' ALA . 0.3 OUTLIER -122.0 108.9 13.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 75.230000000000004 110.319 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 649' ' ' ALA . . . . . 0.431 ' N ' ' OE1' ' A' ' 648' ' ' GLN . . . -106.35 -174.49 2.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 32.420000000000002 109.314 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 51.5 mttt -115.14 -9.79 12.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 75.209999999999994 109.283 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 651' ' ' LYS . . . . . 0.925 ' C ' HG11 ' A' ' 635' ' ' VAL . 2.6 mmmp? -142.43 160.57 40.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 64.239999999999995 109.334 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 652' ' ' TRP . . . . . 0.738 ' HA ' HG23 ' A' ' 655' ' ' VAL . 22.2 m95 -80.23 -5.38 56.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 74.540000000000006 107.955 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 2.2 t -68.05 -13.75 62.44 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.472 1.107 . . . . 75.340000000000003 110.011 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 654' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 655' ' ' VAL . 9.0 mmt180 -109.55 -16.49 13.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 74.340000000000003 110.32 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 655' ' ' VAL . . . . . 0.803 HG13 ' CD1' ' A' ' 657' ' ' PHE . 2.5 t -40.19 126.93 1.7 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 70.219999999999999 109.308 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 656' ' ' PRO . . . . . 0.523 ' HB2' ' CG ' ' A' ' 547' ' ' PHE . 18.2 Cg_endo -75.01 -49.6 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.445 1.761 . . . . 74.519999999999996 110.926 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 657' ' ' PHE . . . . . 0.803 ' CD1' HG13 ' A' ' 655' ' ' VAL . 40.4 p90 -67.84 173.16 4.62 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.468 1.105 . . . . 74.109999999999999 111.005 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 658' ' ' SER . . . . . 0.543 ' O ' HG11 ' A' ' 549' ' ' VAL . 0.7 OUTLIER -121.26 149.98 42.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 74.25 110.008 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 659' ' ' VAL . . . . . 0.664 HG23 ' HA ' ' A' ' 570' ' ' ARG . 0.2 OUTLIER -150.36 106.52 3.14 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 51.420000000000002 109.319 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 660' ' ' PRO . . . . . 0.411 ' O ' ' N ' ' A' ' 571' ' ' LYS . 18.3 Cg_endo -75.04 177.69 8.27 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.519 1.8 . . . . 71.25 111.029 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -58.58 161.01 4.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 64.129999999999995 109.264 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 662' ' ' PHE . . . . . 0.458 ' N ' ' O ' ' A' ' 571' ' ' LYS . 34.8 t80 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 73.349999999999994 110.987 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 546' ' ' GLN . . . . . 0.593 ' C ' ' CD1' ' A' ' 547' ' ' PHE . 21.3 mt-30 . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 110.339 -0.245 . . . . 75.129999999999995 110.339 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 547' ' ' PHE . . . . . 0.593 ' CD1' ' C ' ' A' ' 546' ' ' GLN . 0.2 OUTLIER -156.45 96.31 2.24 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 55.350000000000001 111.028 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 548' ' ' PRO . . . . . 0.494 ' HG2' ' CG ' ' A' ' 551' ' ' HIS . 18.5 Cg_endo -74.93 141.47 26.91 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.554 1.818 . . . . 63.210000000000001 111.06 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 549' ' ' VAL . . . . . 0.586 HG12 ' HB2' ' A' ' 657' ' ' PHE . 20.3 m -52.6 -45.8 48.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 73.150000000000006 109.281 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -55.0 -24.63 25.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 71.040000000000006 110.286 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 551' ' ' HIS . . . . . 0.494 ' CG ' ' HG2' ' A' ' 548' ' ' PRO . 23.5 m170 -96.68 -22.79 16.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 73.030000000000001 109.62 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 552' ' ' VAL . . . . . 0.801 HG11 ' CD2' ' A' ' 657' ' ' PHE . 83.4 t -89.09 109.38 20.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 53.240000000000002 109.32 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 553' ' ' GLN . . . . . 0.778 ' HB3' HD11 ' A' ' 555' ' ' LEU . 9.2 tt0 -97.04 169.88 9.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 72.219999999999999 110.281 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 554' ' ' LEU . . . . . 1.079 HD11 HD23 ' A' ' 569' ' ' LEU . 3.5 mt -110.73 106.8 16.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 65.120000000000005 109.3 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 555' ' ' LEU . . . . . 0.852 HD12 ' N ' ' A' ' 555' ' ' LEU . 0.0 OUTLIER -123.64 170.9 9.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 75.409999999999997 109.33 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 556' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' ' 559' ' ' CYS . 18.1 t -97.78 106.13 18.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.01 -0.995 . . . . 72.409999999999997 110.87 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 557' ' ' ILE . . . . . 0.975 HD13 ' O ' ' A' ' 636' ' ' ARG . 1.3 pt -37.03 -33.24 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 72.319999999999993 109.331 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 558' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 556' ' ' CYS . 7.5 m-20 -83.69 -49.05 9.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 72.239999999999995 109.314 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 559' ' ' CYS . . . . . 1.37 ' SG ' ' CB ' ' A' ' 615' ' ' CYS . 3.8 m -123.15 70.52 1.03 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 72.420000000000002 108.285 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 560' ' ' MET . . . . . 0.617 ' HG2' HD23 ' A' ' 639' ' ' LEU . 6.4 mtm -61.66 72.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 64.329999999999998 110.97 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 561' ' ' VAL . . . . . 0.719 HG13 ' O ' ' A' ' 559' ' ' CYS . 1.0 OUTLIER -110.88 -8.67 11.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 64.219999999999999 109.294 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 562' ' ' ALA . . . . . 0.65 ' HB3' ' O ' ' A' ' 561' ' ' VAL . . . 81.85 107.46 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 45.310000000000002 109.302 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 563' ' ' VAL . . . . . 0.518 ' HA ' ' CD2' ' A' ' 587' ' ' TYR . 0.5 OUTLIER -106.13 -8.77 10.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 74.540000000000006 109.258 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -172.11 -149.79 6.87 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.462 1.101 . . . . 62.140000000000001 110.981 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 565' ' ' HIS . . . . . . . . . . . . . 20.6 m80 -143.94 146.23 32.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 0.751 . . . . 63.009999999999998 109.606 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 566' ' ' GLY . . . . . 0.498 ' O ' ' CD1' ' A' ' 569' ' ' LEU . . . -66.46 -24.39 72.32 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.462 1.101 . . . . 41.200000000000003 110.998 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 2.6 p -98.06 7.93 45.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 0.769 . . . . 64.109999999999999 109.993 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -111.79 -17.46 12.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 75.299999999999997 109.289 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 569' ' ' LEU . . . . . 1.079 HD23 HD11 ' A' ' 554' ' ' LEU . 0.1 OUTLIER -87.9 170.05 11.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 74.409999999999997 109.297 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 570' ' ' ARG . . . . . 0.473 ' CD ' ' HA ' ' A' ' 662' ' ' PHE . 41.9 mtt180 -154.78 173.37 16.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 74.430000000000007 110.267 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 571' ' ' LYS . . . . . 0.483 ' HD3' ' CE1' ' A' ' 577' ' ' HIS . 31.9 mtmt -110.75 122.3 47.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 73.430000000000007 109.277 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 572' ' ' VAL . . . . . 1.041 HG23 HG21 ' A' ' 578' ' ' VAL . 2.8 t -77.85 117.08 22.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 74.319999999999993 109.295 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 573' ' ' GLU . . . . . 0.626 ' HG2' HG12 ' A' ' 572' ' ' VAL . 9.6 pt-20 43.91 35.4 1.11 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 52.310000000000002 110.287 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 47.39 47.16 22.48 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.497 1.123 . . . . 44.539999999999999 111.001 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 1.3 m -113.51 -58.69 2.12 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.486 0.756 . . . . 72.540000000000006 110.385 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 13.8 m170 -138.54 149.14 45.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 63.200000000000003 109.617 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 577' ' ' HIS . . . . . 0.648 ' CG ' ' CE3' ' A' ' 652' ' ' TRP . 17.5 m-70 -73.98 106.87 5.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 72.120000000000005 109.617 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 578' ' ' VAL . . . . . 1.041 HG21 HG23 ' A' ' 572' ' ' VAL . 19.0 m -110.31 120.71 61.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 75.120000000000005 109.295 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 579' ' ' ASN . . . . . 0.476 ' HA ' ' CB ' ' A' ' 569' ' ' LEU . 2.5 t-20 -92.04 120.34 32.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 45.539999999999999 109.316 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 580' ' ' VAL . . . . . 0.675 HG22 HD22 ' A' ' 630' ' ' LEU . 2.7 t -90.77 138.86 18.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 73.129999999999995 109.276 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 581' ' ' ASN . . . . . 0.462 HD21 ' ND2' ' A' ' 583' ' ' ASN . 23.1 t-20 173.58 130.43 0.11 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 72.019999999999996 109.273 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 582' ' ' PRO . . . . . 0.424 ' HD2' ' ND2' ' A' ' 581' ' ' ASN . 18.3 Cg_endo -74.98 -27.54 9.97 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.52 1.8 . . . . 73.109999999999999 111.023 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 583' ' ' ASN . . . . . 0.593 ' O ' ' CD1' ' A' ' 587' ' ' TYR . 0.3 OUTLIER -78.55 -0.16 28.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 61.43 109.256 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 584' ' ' PHE . . . . . 0.535 ' O ' ' CD2' ' A' ' 588' ' ' TYR . 2.2 t80 -78.47 -29.23 46.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 71.319999999999993 110.962 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 86.4 p -61.97 -32.92 73.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 61.049999999999997 109.99 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -87.45 -8.84 56.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 73.540000000000006 109.279 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 587' ' ' TYR . . . . . 0.593 ' CD1' ' O ' ' A' ' 583' ' ' ASN . 8.8 m-30 -93.57 -11.53 31.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 63.530000000000001 111.037 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 588' ' ' TYR . . . . . 0.934 ' CD1' HG23 ' A' ' 610' ' ' ILE . 1.2 p90 -150.59 160.15 44.0 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 72.310000000000002 110.965 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 589' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -129.83 130.97 45.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.132 . . . . 74.219999999999999 109.293 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 590' ' ' VAL . . . . . 0.569 HG23 ' HE1' ' A' ' 588' ' ' TYR . 24.8 t -72.2 132.1 33.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 75.040000000000006 109.315 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 3.8 m . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 73.120000000000005 109.979 -179.99 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 604' ' ' TRP . . . . . 1.032 ' CE3' HG11 ' A' ' 572' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 108.026 -1.101 . . . . 74.510000000000005 108.026 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 605' ' ' LYS . . . . . . . . . . . . . 9.0 ptpt -86.1 153.79 57.24 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.095 . . . . 64.430000000000007 109.257 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 606' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -162.41 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.466 1.772 . . . . 71.439999999999998 111.023 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 607' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 622' ' ' GLN . . . -154.05 -99.28 0.17 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.502 1.126 . . . . 53.119999999999997 110.956 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 608' ' ' GLY . . . . . 0.475 ' HA3' HG13 ' A' ' 590' ' ' VAL . . . -149.78 143.41 10.74 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.968 -0.853 . . . . 65.219999999999999 110.968 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 41.1 t -51.84 125.34 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 0.78 . . . . 61.119999999999997 109.286 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 610' ' ' ILE . . . . . 0.934 HG23 ' CD1' ' A' ' 588' ' ' TYR . 0.6 OUTLIER -92.78 148.05 4.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 73.109999999999999 109.289 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.52 130.67 30.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 65.120000000000005 109.995 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 612' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 616' ' ' GLY . 46.3 t -59.15 109.19 0.8 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.556 1.16 . . . . 74.400000000000006 108.342 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 14.4 ttt-85 -69.76 -29.58 66.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 75.430000000000007 110.331 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 614' ' ' ASN . . . . . 0.487 ' ND2' HG22 ' A' ' 561' ' ' VAL . 77.1 m-20 -62.8 -35.55 80.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 73.120000000000005 109.286 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 615' ' ' CYS . . . . . 1.37 ' CB ' ' SG ' ' A' ' 559' ' ' CYS . 39.2 m -132.6 -74.77 0.5 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 74.400000000000006 108.304 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 616' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 160.71 -24.99 0.27 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.525 1.141 . . . . 73.129999999999995 111.026 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -42.23 105.55 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 0.758 . . . . 60.240000000000002 110.264 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 618' ' ' VAL . . . . . 0.424 HG13 ' O ' ' A' ' 610' ' ' ILE . 49.3 t -57.43 132.64 21.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 63.350000000000001 109.291 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 619' ' ' TRP . . . . . 0.438 ' O ' ' CD ' ' A' ' 634' ' ' LYS . 38.5 m0 -91.84 -41.5 10.6 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.036 -1.098 . . . . 73.310000000000002 108.036 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 620' ' ' GLY . . . . . . . . . . . . . . . 163.16 -114.64 0.61 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.487 1.117 . . . . 71.439999999999998 111.008 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 621' ' ' LEU . . . . . 0.737 HD22 ' C ' ' A' ' 621' ' ' LEU . 0.0 OUTLIER -149.39 154.66 39.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 0.782 . . . . 63.409999999999997 109.358 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 622' ' ' GLN . . . . . 0.553 ' N ' HD22 ' A' ' 621' ' ' LEU . 0.0 OUTLIER -82.26 135.89 35.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 71.319999999999993 110.312 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 623' ' ' MET . . . . . 0.61 ' SD ' ' CZ2' ' A' ' 604' ' ' TRP . 10.0 mtp -123.89 136.91 54.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 73.200000000000003 111.003 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 624' ' ' ILE . . . . . 0.515 HG13 ' HZ3' ' A' ' 629' ' ' LYS . 4.9 mp -103.42 154.75 5.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 75.439999999999998 109.29 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 625' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -159.63 122.19 3.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 72.0 110.985 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 626' ' ' LYS . . . . . 0.491 ' O ' ' CB ' ' A' ' 627' ' ' SER . 0.0 OUTLIER 57.14 18.12 3.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.127 . . . . 65.030000000000001 109.301 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 627' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.2 p 85.12 37.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 73.209999999999994 109.97 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 628' ' ' VAL . . . . . 0.805 HG12 ' HG ' ' A' ' 630' ' ' LEU . 54.6 t -124.68 135.03 65.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 74.109999999999999 109.266 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 629' ' ' LYS . . . . . 0.515 ' HZ3' HG13 ' A' ' 624' ' ' ILE . 0.0 OUTLIER -83.98 100.76 11.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 71.109999999999999 109.284 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 630' ' ' LEU . . . . . 0.805 ' HG ' HG12 ' A' ' 628' ' ' VAL . 10.5 mt -125.44 111.41 25.89 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.429 1.081 . . . . 74.230000000000004 109.322 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 631' ' ' PRO . . . . . 0.673 ' O ' HG12 ' A' ' 578' ' ' VAL . 18.4 Cg_endo -74.99 163.19 35.85 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.493 1.786 . . . . 75.209999999999994 111.012 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 632' ' ' VAL . . . . . 0.65 ' C ' HD13 ' A' ' 633' ' ' LEU . 25.3 t -125.08 91.61 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 74.109999999999999 109.311 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 633' ' ' LEU . . . . . 0.805 ' N ' HD13 ' A' ' 633' ' ' LEU . 0.0 OUTLIER -94.37 171.26 8.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 60.140000000000001 109.295 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 634' ' ' LYS . . . . . 0.438 ' CD ' ' O ' ' A' ' 619' ' ' TRP . 2.8 mtpt -100.7 -175.3 2.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 73.120000000000005 109.299 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 635' ' ' VAL . . . . . 0.646 HG11 ' C ' ' A' ' 651' ' ' LYS . 2.2 p -102.63 -24.57 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 50.399999999999999 109.345 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 636' ' ' ARG . . . . . 0.975 ' O ' HD13 ' A' ' 557' ' ' ILE . 0.1 OUTLIER -83.13 -14.31 53.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 73.400000000000006 110.305 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 2.0 m -98.3 -12.21 21.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 62.439999999999998 110.036 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 638' ' ' MET . . . . . 0.43 ' HA ' ' O ' ' A' ' 555' ' ' LEU . 32.6 mmt -115.3 126.71 54.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 71.140000000000001 111.003 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 639' ' ' LEU . . . . . 0.823 HD21 ' HD2' ' A' ' 646' ' ' ARG . 14.7 tp -96.9 133.32 41.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 71.019999999999996 109.278 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 640' ' ' LEU . . . . . 0.521 ' N ' HD12 ' A' ' 639' ' ' LEU . 0.5 OUTLIER -95.86 107.05 19.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 75.319999999999993 109.276 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -75.19 131.94 40.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 63.009999999999998 110.31 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 642' ' ' THR . . . . . 0.913 HG21 HD12 ' A' ' 647' ' ' ILE . 7.7 p -139.9 158.81 66.77 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 54.340000000000003 110.406 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -18.4 18.88 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.524 1.802 . . . . 74.409999999999997 110.986 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 644' ' ' GLN . . . . . 0.401 ' NE2' ' CE2' ' A' ' 547' ' ' PHE . 5.1 mt-30 -91.21 -5.56 54.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 33.530000000000001 110.325 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 124.27 129.21 3.39 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.445 1.091 . . . . 31.140000000000001 111.007 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 646' ' ' ARG . . . . . 0.823 ' HD2' HD21 ' A' ' 639' ' ' LEU . 19.1 mtm180 -39.06 156.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 0.783 . . . . 74.209999999999994 110.341 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 647' ' ' ILE . . . . . 0.913 HD12 HG21 ' A' ' 642' ' ' THR . 24.5 mt -138.54 123.54 22.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.143 . . . . 53.140000000000001 109.282 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 648' ' ' GLN . . . . . 0.454 ' NE2' ' HA ' ' A' ' 636' ' ' ARG . 1.1 tm0? -124.04 109.19 13.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 72.140000000000001 110.282 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 649' ' ' ALA . . . . . . . . . . . . . . . -110.88 177.9 4.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 61.240000000000002 109.356 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 650' ' ' LYS . . . . . 0.501 ' C ' ' CG1' ' A' ' 635' ' ' VAL . 8.5 mmtp -111.88 -16.95 13.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 62.450000000000003 109.321 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 651' ' ' LYS . . . . . 0.646 ' C ' HG11 ' A' ' 635' ' ' VAL . 20.6 mmmt -126.24 143.57 51.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 64.430000000000007 109.28 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 652' ' ' TRP . . . . . 0.648 ' CE3' ' CG ' ' A' ' 577' ' ' HIS . 65.1 m95 -67.2 -11.98 58.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 65.540000000000006 108.024 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 3.6 m -66.71 -10.09 43.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 71.129999999999995 109.995 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 654' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 655' ' ' VAL . 14.3 mmt180 -101.07 -27.98 12.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 60.43 110.327 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 655' ' ' VAL . . . . . 0.797 HG13 ' CD2' ' A' ' 657' ' ' PHE . 2.3 t -40.21 117.76 1.36 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 61.009999999999998 109.279 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 656' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -40.52 0.87 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.502 1.79 . . . . 73.439999999999998 110.974 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 657' ' ' PHE . . . . . 1.035 ' CE1' HG22 ' A' ' 659' ' ' VAL . 26.4 p90 -70.48 150.95 45.64 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.103 . . . . 71.319999999999993 110.984 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -80.02 140.43 36.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 54.310000000000002 109.961 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 659' ' ' VAL . . . . . 1.035 HG22 ' CE1' ' A' ' 657' ' ' PHE . 2.0 t -121.66 95.67 47.84 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 75.019999999999996 109.262 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 660' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 148.65 35.52 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.463 1.77 . . . . 72.530000000000001 110.95 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 661' ' ' ASP . . . . . 0.418 ' HA ' ' O ' ' A' ' 571' ' ' LYS . 0.7 OUTLIER -65.11 143.85 57.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 53.020000000000003 109.299 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 662' ' ' PHE . . . . . 0.642 ' CE1' HD21 ' A' ' 630' ' ' LEU . 73.0 t80 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 74.219999999999999 110.989 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 546' ' ' GLN . . . . . 0.583 ' C ' ' CD1' ' A' ' 547' ' ' PHE . 8.7 mt-30 . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 110.332 -0.247 . . . . 64.510000000000005 110.332 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 547' ' ' PHE . . . . . 0.583 ' CD1' ' C ' ' A' ' 546' ' ' GLN . 69.2 m-85 -160.15 94.83 1.58 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 65.209999999999994 110.982 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 548' ' ' PRO . . . . . 0.452 ' HB2' ' CG ' ' A' ' 550' ' ' GLU . 18.1 Cg_endo -75.04 134.89 18.3 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.452 1.764 . . . . 63.240000000000002 110.98 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 549' ' ' VAL . . . . . 0.503 HG12 ' HB2' ' A' ' 657' ' ' PHE . 18.3 m -48.01 -42.04 10.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 43.450000000000003 109.284 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 550' ' ' GLU . . . . . 0.452 ' CG ' ' HB2' ' A' ' 548' ' ' PRO . 3.3 pt-20 -54.71 -35.57 63.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.087 . . . . 75.010000000000005 110.308 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 17.6 m170 -81.82 -17.6 46.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 72.200000000000003 109.578 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 552' ' ' VAL . . . . . 0.764 HG21 ' HB3' ' A' ' 657' ' ' PHE . 85.9 t -96.19 130.47 44.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 44.210000000000001 109.298 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -118.67 139.59 51.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 61.299999999999997 110.328 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 554' ' ' LEU . . . . . 1.08 HD11 HD23 ' A' ' 569' ' ' LEU . 2.3 mt -81.83 114.73 20.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 64.430000000000007 109.252 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 555' ' ' LEU . . . . . 0.567 HD23 ' HB2' ' A' ' 562' ' ' ALA . 0.2 OUTLIER -133.93 179.77 6.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 73.140000000000001 109.29 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 556' ' ' CYS . . . . . 0.543 ' O ' ' N ' ' A' ' 560' ' ' MET . 4.4 t -106.42 101.98 11.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 114.982 -1.008 . . . . 71.239999999999995 110.928 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 557' ' ' ILE . . . . . 0.59 HD13 ' O ' ' A' ' 636' ' ' ARG . 1.2 pt -34.15 -35.15 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 70.420000000000002 109.296 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 558' ' ' ASN . . . . . 0.511 ' N ' ' O ' ' A' ' 556' ' ' CYS . 3.0 m-20 -74.42 -63.42 1.24 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 71.140000000000001 109.311 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 559' ' ' CYS . . . . . 1.073 ' CB ' ' SG ' ' A' ' 615' ' ' CYS . 2.1 m -76.26 -68.06 0.62 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 64.5 108.276 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 560' ' ' MET . . . . . 0.543 ' N ' ' O ' ' A' ' 556' ' ' CYS . 24.7 mtm 77.11 44.48 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 72.25 110.973 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 561' ' ' VAL . . . . . 0.694 ' O ' ' HB3' ' A' ' 562' ' ' ALA . 1.0 OUTLIER -109.56 -0.14 9.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 71.340000000000003 109.322 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 562' ' ' ALA . . . . . 0.694 ' HB3' ' O ' ' A' ' 561' ' ' VAL . . . 83.62 106.72 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 70.099999999999994 109.335 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 563' ' ' VAL . . . . . 0.607 HG12 ' CD1' ' A' ' 587' ' ' TYR . 0.9 OUTLIER -104.48 -8.55 9.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 73.140000000000001 109.289 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -178.05 -163.04 28.99 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.474 1.109 . . . . 21.129999999999999 111.006 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 565' ' ' HIS . . . . . . . . . . . . . 45.0 m80 -121.76 140.84 51.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 0.749 . . . . 61.109999999999999 109.558 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . -70.81 -4.65 54.94 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.515 1.134 . . . . 74.129999999999995 111.03 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 567' ' ' SER . . . . . 0.419 ' CB ' HG23 ' A' ' 549' ' ' VAL . 42.9 p -115.92 10.79 15.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 0.771 . . . . 71.030000000000001 109.959 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -114.22 -11.95 12.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 64.129999999999995 109.324 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 569' ' ' LEU . . . . . 1.08 HD23 HD11 ' A' ' 554' ' ' LEU . 0.2 OUTLIER -87.6 158.14 18.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 61.450000000000003 109.262 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 570' ' ' ARG . . . . . 0.462 ' O ' ' CG2' ' A' ' 578' ' ' VAL . 6.3 mtp180 -156.8 137.12 12.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 74.319999999999993 110.333 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 571' ' ' LYS . . . . . 0.507 ' HE2' ' CE1' ' A' ' 577' ' ' HIS . 11.3 ptpt -78.11 158.78 28.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 63.020000000000003 109.312 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 572' ' ' VAL . . . . . 0.804 HG12 ' HG2' ' A' ' 573' ' ' GLU . 3.0 t -97.48 132.55 41.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 71.040000000000006 109.305 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 573' ' ' GLU . . . . . 0.804 ' HG2' HG12 ' A' ' 572' ' ' VAL . 16.2 pt-20 37.63 43.83 0.48 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 75.310000000000002 110.301 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 574' ' ' GLY . . . . . 0.478 ' HA2' ' CD ' ' A' ' 571' ' ' LYS . . . 42.3 54.03 4.76 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.492 1.12 . . . . 62.539999999999999 111.007 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 575' ' ' THR . . . . . 0.529 HG22 ' N ' ' A' ' 576' ' ' HIS . 1.1 m -133.75 -78.68 0.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 0.749 . . . . 74.25 110.421 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 576' ' ' HIS . . . . . 0.529 ' N ' HG22 ' A' ' 575' ' ' THR . 0.2 OUTLIER -101.02 151.69 21.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 54.240000000000002 109.581 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 577' ' ' HIS . . . . . 0.745 ' CD2' ' CG ' ' A' ' 652' ' ' TRP . 57.3 m-70 -89.39 130.23 35.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 73.019999999999996 109.606 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 578' ' ' VAL . . . . . 0.751 HG21 HG23 ' A' ' 572' ' ' VAL . 19.5 m -137.91 112.16 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 75.140000000000001 109.291 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 579' ' ' ASN . . . . . 0.494 ' OD1' ' CE1' ' A' ' 584' ' ' PHE . 1.7 t-20 -80.7 110.2 15.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 74.549999999999997 109.272 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 580' ' ' VAL . . . . . 0.927 HG22 HD22 ' A' ' 630' ' ' LEU . 2.4 t -85.7 138.25 19.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 54.450000000000003 109.299 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 581' ' ' ASN . . . . . 0.472 ' CB ' ' HB2' ' A' ' 584' ' ' PHE . 20.7 m-20 178.82 130.34 0.22 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 75.109999999999999 109.336 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 582' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -35.0 3.36 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.45 1.763 . . . . 74.040000000000006 110.988 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 583' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -78.54 -1.68 35.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 72.340000000000003 109.351 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 584' ' ' PHE . . . . . 0.58 ' O ' ' CD2' ' A' ' 588' ' ' TYR . 2.1 t80 -71.47 -31.87 67.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 72.310000000000002 111.045 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 585' ' ' SER . . . . . 0.513 ' HA ' ' CE2' ' A' ' 588' ' ' TYR . 13.2 t -59.12 -23.8 62.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 75.109999999999999 109.99 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -87.35 -15.76 37.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.153 . . . . 73.209999999999994 109.296 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 587' ' ' TYR . . . . . 0.607 ' CD1' HG12 ' A' ' 563' ' ' VAL . 5.0 m-85 -94.32 4.14 54.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 71.319999999999993 111.0 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 588' ' ' TYR . . . . . 0.662 ' HE1' HG23 ' A' ' 590' ' ' VAL . 2.5 p90 -163.75 164.91 23.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 74.409999999999997 111.003 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 589' ' ' ASN . . . . . 0.433 ' ND2' ' C ' ' A' ' 588' ' ' TYR . 0.4 OUTLIER -133.13 119.04 19.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 74.430000000000007 109.264 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 590' ' ' VAL . . . . . 0.662 HG23 ' HE1' ' A' ' 588' ' ' TYR . 8.9 t -72.67 153.86 7.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 74.340000000000003 109.294 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 99.1 p . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 75.519999999999996 110.022 179.973 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 604' ' ' TRP . . . . . 0.608 ' CZ2' ' SD ' ' A' ' 623' ' ' MET . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 107.956 -1.127 . . . . 72.549999999999997 107.956 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 605' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.06 154.67 58.22 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 72.420000000000002 109.314 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 606' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 137.91 22.47 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.515 1.797 . . . . 74.439999999999998 110.969 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 607' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 622' ' ' GLN . . . -102.57 -123.07 5.19 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.517 1.136 . . . . 45.409999999999997 111.005 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 608' ' ' GLY . . . . . 0.402 ' O ' ' N ' ' A' ' 622' ' ' GLN . . . -143.48 155.74 26.23 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.992 -0.843 . . . . 52.32 110.992 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 609' ' ' VAL . . . . . 0.407 ' HA ' ' O ' ' A' ' 620' ' ' GLY . 19.2 t -53.77 135.6 15.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 0.747 . . . . 75.209999999999994 109.315 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 610' ' ' ILE . . . . . 0.514 HG23 ' CD1' ' A' ' 588' ' ' TYR . 0.8 OUTLIER -111.64 147.99 15.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 73.010000000000005 109.332 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 42.1 t -144.58 132.45 21.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 71.310000000000002 110.005 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 612' ' ' CYS . . . . . 0.407 ' O ' ' N ' ' A' ' 616' ' ' GLY . 14.6 t -58.51 115.24 2.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 72.0 108.326 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 9.0 ttt-85 -65.49 -31.88 73.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 62.240000000000002 110.29 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 614' ' ' ASN . . . . . 0.424 ' ND2' HG21 ' A' ' 561' ' ' VAL . 3.4 m120 -58.93 -46.73 87.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 71.299999999999997 109.348 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 615' ' ' CYS . . . . . 1.073 ' SG ' ' CB ' ' A' ' 559' ' ' CYS . 0.0 OUTLIER -118.62 -76.46 0.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 51.100000000000001 108.276 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 616' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 142.27 44.7 0.05 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.513 1.133 . . . . 35.310000000000002 110.971 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -97.02 102.53 14.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 0.771 . . . . 64.140000000000001 110.295 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 54.4 t -49.31 97.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 72.109999999999999 109.291 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 619' ' ' TRP . . . . . 0.76 ' CE2' ' HE3' ' A' ' 638' ' ' MET . 43.3 m0 -63.72 -47.1 82.44 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.958 -1.127 . . . . 73.439999999999998 107.958 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 620' ' ' GLY . . . . . 0.407 ' O ' ' HA ' ' A' ' 609' ' ' VAL . . . 169.22 -100.22 0.16 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.532 1.145 . . . . 65.230000000000004 111.002 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 621' ' ' LEU . . . . . 0.759 ' C ' HD23 ' A' ' 621' ' ' LEU . 0.0 OUTLIER -158.83 169.06 25.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 0.755 . . . . 52.200000000000003 109.284 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 622' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 607' ' ' GLY . 0.2 OUTLIER -96.11 161.55 13.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 75.450000000000003 110.278 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 623' ' ' MET . . . . . 0.608 ' SD ' ' CZ2' ' A' ' 604' ' ' TRP . 11.6 mtp -148.5 122.23 9.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 75.140000000000001 111.031 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 624' ' ' ILE . . . . . . . . . . . . . 4.8 mp -97.97 144.39 11.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 75.310000000000002 109.302 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 625' ' ' TYR . . . . . 0.441 ' CD1' ' HG2' ' A' ' 626' ' ' LYS . 15.4 t80 -150.83 108.95 3.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 75.120000000000005 110.951 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 626' ' ' LYS . . . . . 0.495 ' O ' ' CB ' ' A' ' 627' ' ' SER . 0.0 OUTLIER 67.74 20.34 9.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 71.099999999999994 109.314 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 627' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.3 p 85.6 39.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 65.230000000000004 110.036 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 628' ' ' VAL . . . . . 0.781 HG12 ' HG ' ' A' ' 630' ' ' LEU . 51.4 t -129.43 109.91 19.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 64.400000000000006 109.295 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 2.7 mmmm -68.84 99.62 1.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 70.150000000000006 109.346 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 630' ' ' LEU . . . . . 0.927 HD22 HG22 ' A' ' 580' ' ' VAL . 55.8 mt -117.68 111.62 39.4 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 75.019999999999996 109.266 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 631' ' ' PRO . . . . . 0.599 ' O ' HG12 ' A' ' 578' ' ' VAL . 18.4 Cg_endo -75.0 164.78 32.67 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.5 1.79 . . . . 74.420000000000002 111.001 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 632' ' ' VAL . . . . . 0.75 HG22 HG12 ' A' ' 578' ' ' VAL . 24.5 t -129.81 92.11 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 62.32 109.254 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 633' ' ' LEU . . . . . 0.837 ' N ' HD13 ' A' ' 633' ' ' LEU . 0.0 OUTLIER -95.49 171.47 8.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 72.540000000000006 109.31 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 7.9 mtmm -99.77 -169.86 1.81 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 73.439999999999998 109.329 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 635' ' ' VAL . . . . . 0.562 HG22 ' O ' ' A' ' 649' ' ' ALA . 1.3 p -107.99 -20.66 6.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 64.129999999999995 109.314 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 636' ' ' ARG . . . . . 0.59 ' O ' HD13 ' A' ' 557' ' ' ILE . 9.1 ptp180 -92.72 2.06 56.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 71.430000000000007 110.322 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 3.2 p -111.56 -20.04 12.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 73.5 109.974 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 638' ' ' MET . . . . . 0.76 ' HE3' ' CE2' ' A' ' 619' ' ' TRP . 35.1 mmt -105.67 146.89 29.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 53.119999999999997 111.006 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 639' ' ' LEU . . . . . 0.799 HD21 ' HD2' ' A' ' 646' ' ' ARG . 18.9 tp -107.24 153.26 22.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 72.040000000000006 109.276 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 640' ' ' LEU . . . . . 0.624 ' HB3' HG13 ' A' ' 552' ' ' VAL . 6.1 mt -121.22 99.68 6.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 74.049999999999997 109.283 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -73.74 120.63 19.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 72.150000000000006 110.272 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 642' ' ' THR . . . . . 0.865 HG21 HD12 ' A' ' 647' ' ' ILE . 0.1 OUTLIER -130.56 160.09 67.81 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 74.019999999999996 110.412 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 1.06 8.14 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.467 1.772 . . . . 63.130000000000003 111.037 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -112.11 -1.56 15.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 75.109999999999999 110.295 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 118.91 141.83 6.68 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.487 1.117 . . . . 75.5 111.016 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 646' ' ' ARG . . . . . 0.799 ' HD2' HD21 ' A' ' 639' ' ' LEU . 22.8 mtm-85 -49.71 150.97 1.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 0.748 . . . . 74.510000000000005 110.308 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 647' ' ' ILE . . . . . 0.865 HD12 HG21 ' A' ' 642' ' ' THR . 36.0 mt -137.36 129.78 42.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 71.340000000000003 109.298 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 648' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -125.81 110.7 14.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 72.319999999999993 110.297 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 649' ' ' ALA . . . . . 0.562 ' O ' HG22 ' A' ' 635' ' ' VAL . . . -110.65 166.77 10.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 64.140000000000001 109.33 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 650' ' ' LYS . . . . . 0.43 ' C ' HG13 ' A' ' 635' ' ' VAL . 24.9 mttp -115.01 -0.37 13.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 75.120000000000005 109.296 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 651' ' ' LYS . . . . . 0.403 ' CA ' HG11 ' A' ' 635' ' ' VAL . 16.7 mtpt -137.99 128.73 26.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 72.510000000000005 109.337 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 652' ' ' TRP . . . . . 0.745 ' CG ' ' CD2' ' A' ' 577' ' ' HIS . 64.3 m95 -64.41 -24.27 67.57 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.975 -1.121 . . . . 75.5 107.975 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 74.6 m -64.61 -15.32 60.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 73.219999999999999 110.003 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 654' ' ' ARG . . . . . . . . . . . . . 5.8 mmt180 -103.75 -25.83 12.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 63.030000000000001 110.322 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 655' ' ' VAL . . . . . 0.68 HG13 ' CD2' ' A' ' 657' ' ' PHE . 2.1 t -42.02 134.81 2.36 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 61.039999999999999 109.301 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 656' ' ' PRO . . . . . 0.542 ' HD2' HD13 ' A' ' 640' ' ' LEU . 18.3 Cg_endo -74.99 -56.3 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.487 1.783 . . . . 74.299999999999997 110.984 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 657' ' ' PHE . . . . . 0.904 ' CE1' HG22 ' A' ' 659' ' ' VAL . 19.2 p90 -59.86 149.1 32.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.144 . . . . 71.140000000000001 110.928 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 658' ' ' SER . . . . . 0.403 ' O ' HG11 ' A' ' 549' ' ' VAL . 36.5 m -84.37 146.78 27.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 70.409999999999997 109.989 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 659' ' ' VAL . . . . . 0.904 HG22 ' CE1' ' A' ' 657' ' ' PHE . 1.5 t -123.58 103.56 34.69 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 63.420000000000002 109.339 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 660' ' ' PRO . . . . . 0.407 ' O ' ' HA ' ' A' ' 570' ' ' ARG . 18.4 Cg_endo -75.02 150.98 38.87 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.49 1.784 . . . . 73.420000000000002 111.026 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 661' ' ' ASP . . . . . 0.402 ' HA ' ' O ' ' A' ' 571' ' ' LYS . 5.2 p30 -77.5 164.53 25.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 51.210000000000001 109.28 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 662' ' ' PHE . . . . . 0.464 ' N ' ' O ' ' A' ' 571' ' ' LYS . 39.9 t80 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 74.230000000000004 111.031 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.976 -0.849 . . . . 64.010000000000005 110.976 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -166.02 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.511 1.795 . . . . 71.239999999999995 110.992 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 544' ' ' HIS . . . . . 0.44 ' O ' ' N ' ' A' ' 546' ' ' GLN . 9.5 m80 64.09 55.72 1.49 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 75.439999999999998 109.563 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 545' ' ' MET . . . . . 0.403 ' C ' ' O ' ' A' ' 544' ' ' HIS . 0.0 OUTLIER -37.8 95.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 54.310000000000002 111.004 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 546' ' ' GLN . . . . . 0.604 ' C ' ' CD1' ' A' ' 547' ' ' PHE . 0.9 OUTLIER -114.85 130.18 56.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 62.119999999999997 110.285 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 547' ' ' PHE . . . . . 0.604 ' CD1' ' C ' ' A' ' 546' ' ' GLN . 22.1 m-85 -152.77 104.8 2.68 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.15 . . . . 65.299999999999997 110.966 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 548' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 145.27 31.22 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.455 1.766 . . . . 75.319999999999993 110.955 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 549' ' ' VAL . . . . . 0.479 HG12 ' HB2' ' A' ' 657' ' ' PHE . 35.1 m -54.18 -44.02 62.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 61.350000000000001 109.316 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -56.36 -21.89 27.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 74.349999999999994 110.314 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 8.6 m170 -97.38 -23.43 16.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 75.109999999999999 109.603 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 552' ' ' VAL . . . . . 0.646 HG11 ' CD1' ' A' ' 657' ' ' PHE . 38.3 t -92.68 121.71 43.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 70.140000000000001 109.269 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 553' ' ' GLN . . . . . 0.498 HE21 HD21 ' A' ' 555' ' ' LEU . 15.5 tt0 -109.52 144.83 37.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 75.430000000000007 110.263 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 554' ' ' LEU . . . . . 1.017 HD11 HD23 ' A' ' 569' ' ' LEU . 0.9 OUTLIER -84.66 113.17 21.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 72.219999999999999 109.332 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 555' ' ' LEU . . . . . 0.861 HD11 ' HB2' ' A' ' 641' ' ' GLU . 0.2 OUTLIER -133.41 -179.98 5.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 75.129999999999995 109.324 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 556' ' ' CYS . . . . . 0.542 ' O ' ' N ' ' A' ' 560' ' ' MET . 5.6 t -107.59 103.27 12.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 114.996 -1.002 . . . . 74.010000000000005 110.875 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 557' ' ' ILE . . . . . 1.01 HD13 ' O ' ' A' ' 636' ' ' ARG . 1.6 pt -35.58 -33.86 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 72.519999999999996 109.333 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 558' ' ' ASN . . . . . 0.489 ' N ' ' O ' ' A' ' 556' ' ' CYS . 7.5 m-20 -77.75 -61.47 1.98 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 75.430000000000007 109.328 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 559' ' ' CYS . . . . . 0.456 ' O ' ' HB2' ' A' ' 560' ' ' MET . 3.8 m -74.85 -69.36 0.47 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 72.200000000000003 108.29 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 560' ' ' MET . . . . . 0.542 ' N ' ' O ' ' A' ' 556' ' ' CYS . 26.9 mtm 76.92 49.26 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 53.109999999999999 111.004 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 561' ' ' VAL . . . . . 0.691 ' O ' ' HB3' ' A' ' 562' ' ' ALA . 1.0 OUTLIER -116.22 -1.97 9.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 72.099999999999994 109.257 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 562' ' ' ALA . . . . . 0.793 ' CA ' HD23 ' A' ' 555' ' ' LEU . . . 83.26 104.32 0.06 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.538 1.149 . . . . 60.340000000000003 109.297 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 563' ' ' VAL . . . . . 0.664 HG12 ' CD1' ' A' ' 587' ' ' TYR . 2.2 m -101.34 -6.66 9.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 74.239999999999995 109.332 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -179.08 -156.28 16.93 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.547 1.155 . . . . 71.099999999999994 110.997 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 565' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 -129.09 143.58 50.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 52.32 109.607 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . -72.62 -2.77 56.88 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.478 1.111 . . . . 72.140000000000001 111.017 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 567' ' ' SER . . . . . 0.415 ' CB ' HG23 ' A' ' 549' ' ' VAL . 20.7 p -114.32 9.5 16.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 0.797 . . . . 70.510000000000005 110.044 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 568' ' ' ASP . . . . . 0.451 ' O ' ' NH1' ' A' ' 570' ' ' ARG . 3.1 m-20 -114.08 -10.79 12.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 73.040000000000006 109.298 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 569' ' ' LEU . . . . . 1.017 HD23 HD11 ' A' ' 554' ' ' LEU . 0.2 OUTLIER -91.75 163.42 14.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 60.0 109.315 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 570' ' ' ARG . . . . . 0.492 ' NH2' ' NE2' ' A' ' 667' ' ' HIS . 0.6 OUTLIER -147.28 179.17 7.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 74.439999999999998 110.263 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 571' ' ' LYS . . . . . 0.424 ' CG ' ' HA ' ' A' ' 661' ' ' ASP . 7.9 ptpt -115.91 158.58 22.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 64.140000000000001 109.285 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 572' ' ' VAL . . . . . 0.597 HG12 ' HG2' ' A' ' 573' ' ' GLU . 2.8 t -123.14 112.37 33.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 63.32 109.311 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 573' ' ' GLU . . . . . 0.597 ' HG2' HG12 ' A' ' 572' ' ' VAL . 9.3 pt-20 41.43 35.81 0.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 64.0 110.33 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 41.86 49.42 5.15 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.534 1.146 . . . . 73.5 110.97 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 3.2 m -119.9 -40.88 2.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 0.734 . . . . 55.119999999999997 110.375 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 9.2 m80 -158.56 128.25 5.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 71.340000000000003 109.599 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 577' ' ' HIS . . . . . 1.015 ' CD2' HG11 ' A' ' 659' ' ' VAL . 2.5 m80 -72.25 140.36 48.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 73.040000000000006 109.593 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 578' ' ' VAL . . . . . 0.784 HG12 HG22 ' A' ' 632' ' ' VAL . 5.1 m -142.26 123.05 11.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 75.299999999999997 109.266 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 579' ' ' ASN . . . . . 0.469 ' HA ' ' CB ' ' A' ' 569' ' ' LEU . 1.9 t-20 -89.34 108.45 19.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 72.349999999999994 109.287 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 580' ' ' VAL . . . . . 1.018 HG22 HD22 ' A' ' 630' ' ' LEU . 3.6 t -77.77 135.72 25.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 53.219999999999999 109.279 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 581' ' ' ASN . . . . . 0.473 ' CB ' ' HB2' ' A' ' 584' ' ' PHE . 3.2 m120 179.51 129.84 0.23 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 74.200000000000003 109.304 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 582' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -35.25 3.25 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.494 1.786 . . . . 64.219999999999999 111.028 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 583' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -78.68 -1.01 32.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 62.43 109.311 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 584' ' ' PHE . . . . . 0.506 ' O ' ' CD2' ' A' ' 588' ' ' TYR . 3.6 t80 -70.97 -31.76 68.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 75.120000000000005 111.013 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 585' ' ' SER . . . . . 0.508 ' HA ' ' CE2' ' A' ' 588' ' ' TYR . 1.5 t -57.93 -23.87 55.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 54.439999999999998 110.034 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -87.53 -17.86 31.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.153 . . . . 73.299999999999997 109.341 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 587' ' ' TYR . . . . . 0.664 ' CD1' HG12 ' A' ' 563' ' ' VAL . 5.8 m-85 -93.05 3.79 55.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 74.430000000000007 111.059 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 588' ' ' TYR . . . . . 0.716 ' HE1' HG23 ' A' ' 590' ' ' VAL . 1.3 p90 -162.87 159.3 23.63 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 74.319999999999993 110.973 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 589' ' ' ASN . . . . . 0.416 ' ND2' ' HB2' ' A' ' 613' ' ' ARG . 33.1 m-80 -129.67 127.69 41.05 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.538 1.149 . . . . 74.420000000000002 109.301 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 590' ' ' VAL . . . . . 0.716 HG23 ' HE1' ' A' ' 588' ' ' TYR . 14.5 t -74.44 133.85 30.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 53.210000000000001 109.288 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 30.9 t -56.06 174.57 0.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 65.319999999999993 110.017 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 28.4 mtm-85 -75.4 -58.97 2.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 73.420000000000002 110.293 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -44.93 152.95 0.52 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 74.310000000000002 109.297 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -89.64 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.508 1.794 . . . . 44.119999999999997 111.002 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 76.5 t -106.1 128.48 60.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 72.430000000000007 109.287 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 596' ' ' VAL . . . . . . . . . . . . . 2.2 t -134.74 78.6 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.432 1.083 . . . . 53.049999999999997 109.265 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 597' ' ' ILE . . . . . 0.49 ' CG2' ' N ' ' A' ' 598' ' ' ASN . 2.4 mt -143.68 163.52 15.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 62.32 109.275 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 598' ' ' ASN . . . . . 0.49 ' N ' ' CG2' ' A' ' 597' ' ' ILE . 74.1 m-80 -54.11 -61.58 2.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 44.149999999999999 109.32 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 599' ' ' LYS . . . . . 0.443 ' O ' HG22 ' A' ' 597' ' ' ILE . 1.4 pptp? -133.86 177.32 7.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 70.209999999999994 109.291 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 600' ' ' VAL . . . . . . . . . . . . . 12.4 t -106.42 152.39 8.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 70.519999999999996 109.305 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 601' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -107.39 165.52 11.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.148 . . . . 73.120000000000005 110.993 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 10.2 mptt -102.8 -56.8 2.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 75.409999999999997 109.269 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -42.11 -31.64 0.39 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 64.310000000000002 109.274 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 604' ' ' TRP . . . . . 0.407 ' CE3' ' HB3' ' A' ' 623' ' ' MET . 0.4 OUTLIER -156.74 164.44 38.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 71.230000000000004 108.04 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 605' ' ' LYS . . . . . . . . . . . . . 11.2 pttt -114.23 156.15 44.67 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.125 . . . . 63.009999999999998 109.342 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 606' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 173.11 15.08 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.524 1.802 . . . . 62.210000000000001 111.003 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 607' ' ' GLY . . . . . 0.569 ' H ' HD23 ' A' ' 621' ' ' LEU . . . -132.37 -108.41 1.13 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.499 1.124 . . . . 70.049999999999997 110.975 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 608' ' ' GLY . . . . . 0.694 ' HA3' HG13 ' A' ' 590' ' ' VAL . . . -140.61 147.58 19.24 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.034 -0.827 . . . . 72.439999999999998 111.034 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 609' ' ' VAL . . . . . 0.404 ' HA ' ' O ' ' A' ' 620' ' ' GLY . 57.9 t -53.8 125.92 9.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.515 0.774 . . . . 72.400000000000006 109.336 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 610' ' ' ILE . . . . . 0.671 HD11 ' HA ' ' A' ' 622' ' ' GLN . 0.7 OUTLIER -95.27 146.49 6.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 75.129999999999995 109.268 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 611' ' ' SER . . . . . 0.407 ' O ' ' HA ' ' A' ' 588' ' ' TYR . 0.2 OUTLIER -148.77 121.38 8.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 63.340000000000003 110.012 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 612' ' ' CYS . . . . . 0.455 ' O ' ' N ' ' A' ' 616' ' ' GLY . 32.4 t -48.35 118.58 2.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.117 . . . . 60.109999999999999 108.289 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 613' ' ' ARG . . . . . 0.416 ' HB2' ' ND2' ' A' ' 589' ' ' ASN . 9.0 ttt180 -70.18 -26.25 63.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 74.450000000000003 110.288 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 614' ' ' ASN . . . . . 0.452 ' ND2' HG22 ' A' ' 561' ' ' VAL . 77.9 m-20 -66.01 -38.09 87.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 74.200000000000003 109.302 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 615' ' ' CYS . . . . . 0.423 ' SG ' ' N ' ' A' ' 559' ' ' CYS . 1.1 m -124.29 -74.03 0.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 60.240000000000002 108.324 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 616' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 148.79 -18.02 1.25 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.523 1.139 . . . . 74.120000000000005 110.994 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -42.73 102.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 0.763 . . . . 64.5 110.313 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 618' ' ' VAL . . . . . 0.444 ' O ' ' NZ ' ' A' ' 634' ' ' LYS . 24.0 t -50.46 124.8 3.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.13 . . . . 75.329999999999998 109.322 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 619' ' ' TRP . . . . . 0.647 ' CE2' ' HE3' ' A' ' 638' ' ' MET . 42.8 m0 -85.19 -39.29 18.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 72.450000000000003 108.006 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 620' ' ' GLY . . . . . 0.404 ' O ' ' HA ' ' A' ' 609' ' ' VAL . . . 159.23 -102.95 0.22 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.436 1.085 . . . . 24.539999999999999 110.978 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 621' ' ' LEU . . . . . 0.747 HD22 ' C ' ' A' ' 621' ' ' LEU . 0.0 OUTLIER -157.54 154.92 29.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 0.74 . . . . 74.219999999999999 109.303 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 622' ' ' GLN . . . . . 0.671 ' HA ' HD11 ' A' ' 610' ' ' ILE . 1.4 tt0 -85.37 135.1 34.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 73.519999999999996 110.266 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 623' ' ' MET . . . . . 0.407 ' HB3' ' CE3' ' A' ' 604' ' ' TRP . 9.6 mmt -116.31 142.04 47.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 72.319999999999993 111.036 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 624' ' ' ILE . . . . . 0.466 ' N ' HD12 ' A' ' 624' ' ' ILE . 4.8 mp -114.39 143.67 23.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 64.299999999999997 109.33 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 625' ' ' TYR . . . . . 0.421 ' CD2' ' O ' ' A' ' 625' ' ' TYR . 14.6 t80 -151.51 107.67 3.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 74.040000000000006 110.991 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 626' ' ' LYS . . . . . 0.528 ' HG2' ' CZ ' ' A' ' 664' ' ' PHE . 0.0 OUTLIER 70.19 18.92 6.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 74.519999999999996 109.296 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 627' ' ' SER . . . . . 0.486 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.2 p 85.11 40.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 62.32 110.023 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 628' ' ' VAL . . . . . 0.735 HG12 ' HG ' ' A' ' 630' ' ' LEU . 52.9 t -126.46 114.6 38.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 51.350000000000001 109.321 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 629' ' ' LYS . . . . . 0.47 ' CE ' ' OE1' ' A' ' 622' ' ' GLN . 6.1 mmmm -72.72 100.06 2.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 72.430000000000007 109.308 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 630' ' ' LEU . . . . . 1.018 HD22 HG22 ' A' ' 580' ' ' VAL . 54.8 mt -117.6 111.72 39.47 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 64.549999999999997 109.305 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 631' ' ' PRO . . . . . 0.771 ' HB2' HD11 ' A' ' 633' ' ' LEU . 18.2 Cg_endo -75.0 133.64 16.84 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.499 1.789 . . . . 72.299999999999997 110.98 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 632' ' ' VAL . . . . . 0.872 ' C ' HD13 ' A' ' 633' ' ' LEU . 38.2 t -102.22 103.72 15.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 43.549999999999997 109.303 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 633' ' ' LEU . . . . . 0.872 HD13 ' C ' ' A' ' 632' ' ' VAL . 0.0 OUTLIER -106.93 171.52 7.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 75.030000000000001 109.313 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 634' ' ' LYS . . . . . 0.444 ' NZ ' ' O ' ' A' ' 618' ' ' VAL . 11.4 mtmm -97.78 -173.75 2.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 72.120000000000005 109.302 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 635' ' ' VAL . . . . . 0.687 HG13 ' O ' ' A' ' 649' ' ' ALA . 5.6 p -106.43 -15.12 8.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 63.009999999999998 109.335 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 636' ' ' ARG . . . . . 1.01 ' O ' HD13 ' A' ' 557' ' ' ILE . 0.0 OUTLIER -91.4 -22.14 20.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 72.329999999999998 110.329 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.57 -13.68 36.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 65.420000000000002 109.995 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 638' ' ' MET . . . . . 0.647 ' HE3' ' CE2' ' A' ' 619' ' ' TRP . 33.6 mmt -108.16 147.17 31.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 72.329999999999998 110.994 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 639' ' ' LEU . . . . . 0.928 HD21 ' HD2' ' A' ' 646' ' ' ARG . 10.5 tp -112.75 140.47 47.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 73.439999999999998 109.28 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 640' ' ' LEU . . . . . 0.496 HD13 ' C ' ' A' ' 639' ' ' LEU . 0.6 OUTLIER -108.5 92.5 4.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 53.32 109.301 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . 0.861 ' HB2' HD11 ' A' ' 555' ' ' LEU . 4.3 mt-10 -73.57 117.15 14.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 74.200000000000003 110.281 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 642' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -128.41 159.84 65.48 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 64.129999999999995 110.403 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 2.48 6.57 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.512 1.796 . . . . 74.129999999999995 111.06 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 644' ' ' GLN . . . . . 0.444 ' NE2' ' O ' ' A' ' 546' ' ' GLN . 3.2 mt-30 -113.45 -6.26 13.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 74.319999999999993 110.332 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 127.4 145.57 6.21 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.523 1.139 . . . . 72.120000000000005 111.009 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 646' ' ' ARG . . . . . 0.928 ' HD2' HD21 ' A' ' 639' ' ' LEU . 57.2 mtm180 -63.41 153.3 35.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 0.777 . . . . 71.239999999999995 110.3 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 647' ' ' ILE . . . . . 0.436 HD11 ' CE2' ' A' ' 547' ' ' PHE . 15.8 mt -138.43 136.12 44.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 75.420000000000002 109.313 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 648' ' ' GLN . . . . . 0.402 ' C ' ' OE1' ' A' ' 648' ' ' GLN . 1.0 OUTLIER -133.13 109.13 9.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 75.230000000000004 110.284 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 649' ' ' ALA . . . . . 0.687 ' O ' HG13 ' A' ' 635' ' ' VAL . . . -107.93 164.82 11.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 44.140000000000001 109.272 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 650' ' ' LYS . . . . . 0.49 ' C ' ' CG1' ' A' ' 635' ' ' VAL . 56.4 mttt -109.39 -3.14 17.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 72.310000000000002 109.289 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 651' ' ' LYS . . . . . 0.686 ' N ' HG11 ' A' ' 635' ' ' VAL . 7.2 mmmt -142.75 131.94 23.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 62.009999999999998 109.276 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 652' ' ' TRP . . . . . 0.774 ' CE3' ' CD2' ' A' ' 577' ' ' HIS . 67.7 m95 -62.66 -15.55 52.68 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.995 -1.113 . . . . 72.049999999999997 107.995 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 36.7 t -67.17 -9.38 39.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 65.329999999999998 109.957 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 654' ' ' ARG . . . . . 0.408 ' O ' ' C ' ' A' ' 655' ' ' VAL . 7.0 mmt180 -114.2 -14.14 12.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.547 1.154 . . . . 73.439999999999998 110.357 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 655' ' ' VAL . . . . . 0.753 HG23 ' HA ' ' A' ' 652' ' ' TRP . 2.3 t -39.94 128.83 1.58 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 75.129999999999995 109.296 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 656' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 655' ' ' VAL . 18.2 Cg_endo -74.97 -51.85 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.482 1.78 . . . . 64.439999999999998 110.992 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 657' ' ' PHE . . . . . 0.769 ' CE2' HG22 ' A' ' 659' ' ' VAL . 54.9 p90 -67.26 164.61 17.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 75.010000000000005 110.967 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 1.1 m -88.55 147.36 24.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 75.349999999999994 110.038 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 659' ' ' VAL . . . . . 1.015 HG11 ' CD2' ' A' ' 577' ' ' HIS . 2.8 t -132.87 96.87 17.55 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 74.299999999999997 109.288 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 660' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 151.01 39.14 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.454 1.765 . . . . 74.420000000000002 111.003 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 661' ' ' ASP . . . . . 0.424 ' HA ' ' CG ' ' A' ' 571' ' ' LYS . 1.1 p30 -68.27 155.45 39.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 71.400000000000006 109.274 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 662' ' ' PHE . . . . . 0.67 ' CZ ' ' CG ' ' A' ' 667' ' ' HIS . 76.9 t80 -63.43 108.23 1.29 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 75.439999999999998 110.982 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 663' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -69.99 93.52 0.79 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 62.329999999999998 109.324 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 664' ' ' PHE . . . . . 0.528 ' CZ ' ' HG2' ' A' ' 626' ' ' LYS . 28.2 t80 -66.51 -29.24 69.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 73.349999999999994 110.969 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 59.4 mt -58.88 -42.55 89.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 65.510000000000005 109.279 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 666' ' ' GLN . . . . . 0.429 ' O ' ' N ' ' A' ' 670' ' ' GLU . 7.8 tp60 -74.45 -57.3 4.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.155 . . . . 61.329999999999998 110.292 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 667' ' ' HIS . . . . . 0.67 ' CG ' ' CZ ' ' A' ' 662' ' ' PHE . 43.4 m-70 -50.12 -32.49 16.05 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 74.109999999999999 109.634 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 668' ' ' CYS . . . . . . . . . . . . . 14.9 t -77.15 -35.27 56.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 62.409999999999997 108.248 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 669' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 666' ' ' GLN . . . -79.6 -11.45 59.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 72.299999999999997 109.268 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 670' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 666' ' ' GLN . 1.6 mm-40 -105.55 -14.09 15.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 75.349999999999994 110.308 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 671' ' ' ASN . . . . . 0.413 ' C ' HD23 ' A' ' 672' ' ' LEU . 2.0 m-80 -104.98 -27.91 11.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 64.340000000000003 109.286 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 672' ' ' LEU . . . . . 0.413 ' N ' HD23 ' A' ' 672' ' ' LEU . 3.2 mt -96.78 -57.73 2.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 65.109999999999999 109.27 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 1.3 m 65.48 21.78 11.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 70.540000000000006 109.954 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -72.61 -15.12 61.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 71.409999999999997 109.294 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 675' ' ' LEU . . . . . 0.686 ' H ' HD22 ' A' ' 675' ' ' LEU . 0.3 OUTLIER -71.85 -64.73 0.87 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 71.340000000000003 109.31 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 676' ' ' SER . . . . . 0.708 ' C ' HD13 ' A' ' 677' ' ' LEU . 4.1 p -174.35 171.54 3.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 63.109999999999999 110.033 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 677' ' ' LEU . . . . . 0.708 HD13 ' C ' ' A' ' 676' ' ' SER . 0.1 OUTLIER -115.71 -48.39 2.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 54.109999999999999 109.29 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 23.7 t70 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 74.420000000000002 109.293 -179.984 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 679' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 110.996 -0.841 . . . . 62.329999999999998 110.996 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -165.16 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.479 1.778 . . . . 73.519999999999996 111.014 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 544' ' ' HIS . . . . . 0.406 ' O ' ' CE ' ' A' ' 545' ' ' MET . 7.9 m170 -90.97 166.28 13.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 64.310000000000002 109.626 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 545' ' ' MET . . . . . 0.406 ' CE ' ' O ' ' A' ' 544' ' ' HIS . 0.3 OUTLIER -110.97 74.84 0.89 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 75.109999999999999 110.967 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 546' ' ' GLN . . . . . 0.599 ' C ' ' CD1' ' A' ' 547' ' ' PHE . 24.1 mt-30 -137.94 137.26 37.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 74.329999999999998 110.315 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 547' ' ' PHE . . . . . 0.599 ' CD1' ' C ' ' A' ' 546' ' ' GLN . 0.1 OUTLIER -155.58 102.9 2.17 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 73.319999999999993 110.972 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 548' ' ' PRO . . . . . 0.448 ' HB2' ' CG ' ' A' ' 550' ' ' GLU . 18.3 Cg_endo -74.97 137.27 21.57 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.498 1.788 . . . . 52.030000000000001 110.969 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 549' ' ' VAL . . . . . 0.559 HG12 ' HB2' ' A' ' 657' ' ' PHE . 21.3 m -48.86 -40.49 12.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 72.439999999999998 109.303 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 550' ' ' GLU . . . . . 0.448 ' CG ' ' HB2' ' A' ' 548' ' ' PRO . 3.0 pt-20 -57.02 -34.82 68.56 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.481 1.113 . . . . 63.539999999999999 110.306 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 11.2 m170 -84.26 -14.8 48.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 73.329999999999998 109.584 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 552' ' ' VAL . . . . . 0.835 HG21 ' HB3' ' A' ' 657' ' ' PHE . 58.4 t -95.43 126.24 47.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 54.530000000000001 109.284 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -114.98 143.95 44.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.085 . . . . 74.5 110.277 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 554' ' ' LEU . . . . . 0.958 HD11 HD23 ' A' ' 569' ' ' LEU . 1.0 OUTLIER -85.17 115.77 23.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 52.43 109.318 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 555' ' ' LEU . . . . . 0.537 HD23 ' CA ' ' A' ' 562' ' ' ALA . 0.2 OUTLIER -134.65 -179.54 5.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.135 . . . . 52.43 109.308 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 556' ' ' CYS . . . . . 0.523 ' O ' ' N ' ' A' ' 558' ' ' ASN . 3.8 t -110.18 100.78 9.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.01 -0.995 . . . . 73.519999999999996 110.886 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 557' ' ' ILE . . . . . 0.692 HD13 ' O ' ' A' ' 636' ' ' ARG . 1.1 pt -32.21 -37.54 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 51.420000000000002 109.253 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 558' ' ' ASN . . . . . 0.523 ' N ' ' O ' ' A' ' 556' ' ' CYS . 3.3 m120 -73.74 -64.4 1.01 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 60.420000000000002 109.303 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 559' ' ' CYS . . . . . 0.476 ' O ' ' HB2' ' A' ' 560' ' ' MET . 9.9 m -73.8 -70.35 0.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 70.299999999999997 108.286 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 560' ' ' MET . . . . . 0.52 ' N ' ' O ' ' A' ' 556' ' ' CYS . 26.9 mtm 78.17 43.92 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 73.230000000000004 111.038 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 561' ' ' VAL . . . . . 0.635 HG22 ' ND2' ' A' ' 614' ' ' ASN . 0.9 OUTLIER -113.06 15.62 8.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.168 . . . . 74.150000000000006 109.3 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 562' ' ' ALA . . . . . 0.537 ' CA ' HD23 ' A' ' 555' ' ' LEU . . . 65.91 108.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 64.450000000000003 109.316 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 563' ' ' VAL . . . . . 0.683 HG12 ' CD1' ' A' ' 587' ' ' TYR . 1.4 m -107.83 -6.14 10.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.471 1.107 . . . . 73.5 109.315 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -178.4 -159.31 22.72 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.528 1.142 . . . . 70.140000000000001 111.017 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 565' ' ' HIS . . . . . . . . . . . . . 68.9 m80 -127.47 144.05 51.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 0.763 . . . . 61.229999999999997 109.604 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . -70.94 -20.26 77.61 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.504 1.128 . . . . 52.450000000000003 110.972 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 19.8 t -101.54 10.78 39.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 0.771 . . . . 72.120000000000005 109.962 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -108.6 -20.93 12.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 42.109999999999999 109.277 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 569' ' ' LEU . . . . . 0.958 HD23 HD11 ' A' ' 554' ' ' LEU . 0.2 OUTLIER -83.4 166.23 18.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 71.329999999999998 109.335 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 570' ' ' ARG . . . . . 0.413 ' HA ' ' O ' ' A' ' 660' ' ' PRO . 49.9 mtt-85 -158.59 144.62 16.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 73.409999999999997 110.302 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 571' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 662' ' ' PHE . 5.0 ttpt -73.54 158.62 34.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 72.109999999999999 109.29 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 572' ' ' VAL . . . . . 0.56 HG12 ' HG2' ' A' ' 573' ' ' GLU . 2.7 t -119.11 113.7 42.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 74.409999999999997 109.267 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 573' ' ' GLU . . . . . 0.56 ' HG2' HG12 ' A' ' 572' ' ' VAL . 11.7 pt-20 46.2 30.87 1.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 71.329999999999998 110.312 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 51.78 59.4 8.67 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.528 1.142 . . . . 72.549999999999997 110.982 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 1.9 m -131.35 -71.59 0.56 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 0.798 . . . . 73.120000000000005 110.368 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -124.38 151.14 44.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 72.140000000000001 109.581 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 577' ' ' HIS . . . . . 0.663 ' CD2' ' CD2' ' A' ' 652' ' ' TRP . 48.6 m-70 -83.91 119.14 24.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.107 . . . . 75.120000000000005 109.614 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 578' ' ' VAL . . . . . 0.814 ' CG1' HG22 ' A' ' 632' ' ' VAL . 15.9 m -122.69 124.17 69.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 74.530000000000001 109.305 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 579' ' ' ASN . . . . . 0.463 ' HA ' ' CB ' ' A' ' 569' ' ' LEU . 2.7 t-20 -95.6 109.04 21.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 61.420000000000002 109.312 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 580' ' ' VAL . . . . . 0.977 HG22 HD22 ' A' ' 630' ' ' LEU . 3.3 t -78.53 137.47 21.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 44.399999999999999 109.318 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 581' ' ' ASN . . . . . 0.427 ' CB ' ' HB2' ' A' ' 584' ' ' PHE . 3.2 m120 178.81 128.72 0.22 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 71.049999999999997 109.333 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 582' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -29.09 8.7 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.479 1.778 . . . . 70.329999999999998 111.008 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 583' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -83.06 -5.1 58.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 73.310000000000002 109.329 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 584' ' ' PHE . . . . . 0.52 ' O ' ' CD2' ' A' ' 588' ' ' TYR . 2.9 t80 -66.37 -34.06 77.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 75.340000000000003 110.983 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 585' ' ' SER . . . . . 0.517 ' HA ' ' CE2' ' A' ' 588' ' ' TYR . 43.4 m -58.26 -24.97 61.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 73.239999999999995 109.977 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 19.1 m-20 -87.35 -16.31 35.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 72.030000000000001 109.266 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 587' ' ' TYR . . . . . 0.683 ' CD1' HG12 ' A' ' 563' ' ' VAL . 4.8 m-85 -93.28 -1.9 55.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 73.310000000000002 111.01 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 588' ' ' TYR . . . . . 0.703 ' HE1' HG23 ' A' ' 590' ' ' VAL . 1.7 p90 -156.33 157.21 35.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 74.310000000000002 111.01 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 589' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -126.89 121.94 33.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 60.539999999999999 109.292 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 590' ' ' VAL . . . . . 0.703 HG23 ' HE1' ' A' ' 588' ' ' TYR . 7.2 t -72.58 134.79 29.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 73.200000000000003 109.287 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 10.7 t -51.36 169.43 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 73.239999999999995 110.001 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 24.7 mtt-85 -69.79 -45.95 66.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 74.439999999999998 110.296 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -59.89 159.62 19.1 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 75.200000000000003 109.276 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -89.56 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.536 1.809 . . . . 71.540000000000006 110.983 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 595' ' ' VAL . . . . . 0.453 HG11 ' HG2' ' A' ' 606' ' ' PRO . 21.4 t -110.75 132.3 59.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 75.219999999999999 109.3 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 596' ' ' VAL . . . . . . . . . . . . . 2.1 t -135.52 81.36 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 75.200000000000003 109.303 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 597' ' ' ILE . . . . . 0.75 HD11 ' HG ' ' A' ' 621' ' ' LEU . 2.9 mm -134.36 163.39 37.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 72.420000000000002 109.286 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 598' ' ' ASN . . . . . 0.451 ' N ' HG22 ' A' ' 597' ' ' ILE . 30.1 m-20 -69.48 -54.8 12.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 74.430000000000007 109.305 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 599' ' ' LYS . . . . . 0.411 ' HD3' ' N ' ' A' ' 600' ' ' VAL . 0.0 OUTLIER -125.02 174.51 7.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 73.299999999999997 109.304 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 600' ' ' VAL . . . . . 0.411 ' N ' ' HD3' ' A' ' 599' ' ' LYS . 15.3 t -115.38 151.27 17.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 61.039999999999999 109.283 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 601' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -107.17 168.15 9.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 64.239999999999995 111.022 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 602' ' ' LYS . . . . . 0.441 ' C ' ' N ' ' A' ' 604' ' ' TRP . 2.2 mmmp? -108.77 -57.97 2.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 62.100000000000001 109.279 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -40.55 -29.99 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 64.219999999999999 109.286 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 604' ' ' TRP . . . . . 0.528 ' CE3' ' HB3' ' A' ' 623' ' ' MET . 0.4 OUTLIER -156.98 162.8 39.59 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.99 -1.115 . . . . 72.109999999999999 107.99 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 605' ' ' LYS . . . . . . . . . . . . . 13.0 pttt -108.86 156.28 39.28 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.465 1.103 . . . . 73.409999999999997 109.29 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 606' ' ' PRO . . . . . 0.453 ' HG2' HG11 ' A' ' 595' ' ' VAL . 18.4 Cg_endo -74.94 176.98 9.18 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.458 1.767 . . . . 64.239999999999995 111.05 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 607' ' ' GLY . . . . . 0.553 ' H ' HD23 ' A' ' 621' ' ' LEU . . . -137.34 -104.75 0.7 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.539 1.149 . . . . 44.240000000000002 111.035 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 608' ' ' GLY . . . . . . . . . . . . . . . -144.07 145.12 14.45 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.029 -0.828 . . . . 65.120000000000005 111.029 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 609' ' ' VAL . . . . . 0.407 ' HA ' ' O ' ' A' ' 620' ' ' GLY . 88.5 t -51.09 132.19 12.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 0.774 . . . . 60.310000000000002 109.265 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 610' ' ' ILE . . . . . 0.639 HD11 ' HA ' ' A' ' 622' ' ' GLN . 0.7 OUTLIER -103.04 154.9 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 72.230000000000004 109.302 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 611' ' ' SER . . . . . 0.41 ' O ' ' HA ' ' A' ' 588' ' ' TYR . 5.8 p -157.23 143.83 18.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 74.450000000000003 110.051 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 612' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 616' ' ' GLY . 16.1 t -66.34 118.59 10.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 74.340000000000003 108.309 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -72.34 -24.07 61.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 72.319999999999993 110.317 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 614' ' ' ASN . . . . . 0.635 ' ND2' HG22 ' A' ' 561' ' ' VAL . 94.1 m-20 -70.19 -32.1 69.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 73.120000000000005 109.261 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 615' ' ' CYS . . . . . 0.443 ' N ' ' SG ' ' A' ' 559' ' ' CYS . 0.7 OUTLIER -129.8 -74.33 0.55 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 65.519999999999996 108.277 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 616' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 150.99 -19.25 0.96 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.496 1.122 . . . . 33.119999999999997 111.017 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -42.5 103.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 0.766 . . . . 73.019999999999996 110.272 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 18.1 t -49.28 138.0 4.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.49 1.119 . . . . 74.510000000000005 109.314 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 619' ' ' TRP . . . . . 0.81 ' CE2' ' HE3' ' A' ' 638' ' ' MET . 47.3 m0 -101.17 -36.77 8.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 65.519999999999996 108.028 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 620' ' ' GLY . . . . . 0.407 ' O ' ' HA ' ' A' ' 609' ' ' VAL . . . 156.0 -116.12 0.7 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.532 1.145 . . . . 74.420000000000002 111.008 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 621' ' ' LEU . . . . . 0.755 HD22 ' C ' ' A' ' 621' ' ' LEU . 0.0 OUTLIER -147.33 154.67 41.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.471 0.747 . . . . 72.109999999999999 109.341 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 622' ' ' GLN . . . . . 0.639 ' HA ' HD11 ' A' ' 610' ' ' ILE . 0.9 OUTLIER -84.63 134.6 34.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 60.340000000000003 110.335 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 623' ' ' MET . . . . . 0.528 ' HB3' ' CE3' ' A' ' 604' ' ' TRP . 6.3 mmt -116.84 141.69 47.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 53.509999999999998 110.978 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 624' ' ' ILE . . . . . 0.48 ' N ' HD12 ' A' ' 624' ' ' ILE . 4.7 mp -111.54 143.62 21.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 71.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 625' ' ' TYR . . . . . 0.457 ' C ' ' CD1' ' A' ' 625' ' ' TYR . 0.4 OUTLIER -145.45 105.56 4.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 70.409999999999997 110.99 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 626' ' ' LYS . . . . . 0.528 ' CE ' ' HA ' ' A' ' 626' ' ' LYS . 0.1 OUTLIER 63.39 28.01 15.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 61.5 109.331 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 627' ' ' SER . . . . . 0.451 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.3 p 81.33 40.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 22.420000000000002 110.003 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 628' ' ' VAL . . . . . 0.804 HG12 ' HG ' ' A' ' 630' ' ' LEU . 55.3 t -125.36 115.66 44.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 53.340000000000003 109.305 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 629' ' ' LYS . . . . . 0.48 ' O ' HD23 ' A' ' 630' ' ' LEU . 11.3 mmmt -72.64 99.84 2.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 64.209999999999994 109.271 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 630' ' ' LEU . . . . . 0.977 HD22 HG22 ' A' ' 580' ' ' VAL . 53.1 mt -121.7 111.72 32.75 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 74.409999999999997 109.293 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 631' ' ' PRO . . . . . 0.666 ' O ' HG12 ' A' ' 578' ' ' VAL . 18.3 Cg_endo -74.99 157.05 43.02 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.5 1.789 . . . . 70.5 110.99 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 632' ' ' VAL . . . . . 0.814 HG22 ' CG1' ' A' ' 578' ' ' VAL . 43.0 t -123.18 98.7 5.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 54.409999999999997 109.281 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 633' ' ' LEU . . . . . 0.844 ' N ' HD13 ' A' ' 633' ' ' LEU . 0.0 OUTLIER -100.81 171.5 7.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 73.129999999999995 109.31 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 634' ' ' LYS . . . . . 0.427 ' HE3' ' CG ' ' A' ' 636' ' ' ARG . 0.9 OUTLIER -101.41 -174.83 2.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 72.329999999999998 109.291 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 635' ' ' VAL . . . . . 0.868 HG11 ' C ' ' A' ' 651' ' ' LYS . 11.4 p -106.97 -24.12 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 71.219999999999999 109.312 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 636' ' ' ARG . . . . . 0.692 ' O ' HD13 ' A' ' 557' ' ' ILE . 13.1 ptt180 -84.17 -5.56 59.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 71.510000000000005 110.348 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 30.9 t -112.47 -16.97 12.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 74.519999999999996 110.043 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 638' ' ' MET . . . . . 0.81 ' HE3' ' CE2' ' A' ' 619' ' ' TRP . 34.0 mmt -104.92 125.41 50.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 73.340000000000003 111.017 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 639' ' ' LEU . . . . . 0.827 HD12 ' H ' ' A' ' 640' ' ' LEU . 21.8 tp -88.63 149.73 23.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 70.219999999999999 109.345 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 640' ' ' LEU . . . . . 0.827 ' H ' HD12 ' A' ' 639' ' ' LEU . 11.4 mt -120.51 103.26 9.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 62.25 109.292 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -74.19 134.48 42.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 74.420000000000002 110.26 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 642' ' ' THR . . . . . 0.9 HG21 HD12 ' A' ' 647' ' ' ILE . 7.4 p -142.07 158.87 60.8 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 63.140000000000001 110.411 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -18.01 19.01 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.488 1.783 . . . . 61.43 110.97 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -91.68 -6.16 52.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 55.109999999999999 110.307 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 123.87 131.86 3.82 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.495 1.122 . . . . 34.25 110.986 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 646' ' ' ARG . . . . . 0.697 ' HD2' HD21 ' A' ' 639' ' ' LEU . 20.6 mtm-85 -39.55 155.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 0.758 . . . . 74.200000000000003 110.292 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 647' ' ' ILE . . . . . 0.9 HD12 HG21 ' A' ' 642' ' ' THR . 21.4 mt -139.08 131.06 36.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 63.009999999999998 109.337 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 648' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -134.59 112.26 10.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 73.230000000000004 110.272 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 649' ' ' ALA . . . . . 0.464 ' CB ' ' HB2' ' A' ' 654' ' ' ARG . . . -107.65 -177.77 3.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 53.530000000000001 109.338 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 22.5 mttt -110.45 -21.09 12.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 63.5 109.259 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 651' ' ' LYS . . . . . 0.868 ' C ' HG11 ' A' ' 635' ' ' VAL . 2.1 mmmm -134.12 150.04 51.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.122 . . . . 73.049999999999997 109.323 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 652' ' ' TRP . . . . . 0.726 ' N ' HG11 ' A' ' 635' ' ' VAL . 47.2 m95 -66.13 -16.38 63.91 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.963 -1.125 . . . . 75.109999999999999 107.963 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 15.5 m -64.13 -11.88 34.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 52.140000000000001 109.989 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 654' ' ' ARG . . . . . 0.464 ' HB2' ' CB ' ' A' ' 649' ' ' ALA . 8.4 mmt180 -105.79 -26.55 11.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 62.219999999999999 110.273 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 655' ' ' VAL . . . . . 0.743 HG13 ' CD2' ' A' ' 657' ' ' PHE . 2.3 t -40.25 126.4 1.72 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 63.420000000000002 109.342 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 656' ' ' PRO . . . . . 0.568 ' HD2' HD13 ' A' ' 640' ' ' LEU . 18.2 Cg_endo -75.01 -50.87 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.494 1.787 . . . . 70.219999999999999 110.99 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 657' ' ' PHE . . . . . 0.969 ' CE1' HG22 ' A' ' 659' ' ' VAL . 17.4 p90 -62.61 149.92 42.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 74.239999999999995 110.984 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -85.27 145.25 27.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 52.130000000000003 110.005 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 659' ' ' VAL . . . . . 0.969 HG22 ' CE1' ' A' ' 657' ' ' PHE . 2.0 t -119.68 98.63 49.79 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 73.420000000000002 109.279 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 660' ' ' PRO . . . . . 0.413 ' O ' ' HA ' ' A' ' 570' ' ' ARG . 18.3 Cg_endo -75.01 147.44 33.88 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.54 1.811 . . . . 75.030000000000001 111.012 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 661' ' ' ASP . . . . . 0.405 ' HA ' ' O ' ' A' ' 571' ' ' LYS . 12.0 m-20 -63.05 162.73 11.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 75.329999999999998 109.323 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 662' ' ' PHE . . . . . 0.483 ' CZ ' HG11 ' A' ' 628' ' ' VAL . 5.0 t80 -89.86 124.43 34.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 74.420000000000002 111.034 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 663' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.21 105.59 15.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 72.040000000000006 109.279 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 664' ' ' PHE . . . . . 0.498 ' O ' ' CB ' ' A' ' 668' ' ' CYS . 62.2 t80 -64.66 -25.8 68.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 75.319999999999993 111.021 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 665' ' ' LEU . . . . . 0.62 HD23 ' N ' ' A' ' 665' ' ' LEU . 2.9 mt -59.21 -52.65 64.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.456 1.097 . . . . 64.239999999999995 109.26 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 29.9 tp60 -78.25 -54.2 6.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 71.140000000000001 110.272 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 667' ' ' HIS . . . . . 0.959 ' CE1' HG11 ' A' ' 580' ' ' VAL . 2.7 t-80 -46.24 -39.35 9.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 73.450000000000003 109.597 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 668' ' ' CYS . . . . . 0.498 ' CB ' ' O ' ' A' ' 664' ' ' PHE . 45.0 t -74.23 -39.92 62.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 74.319999999999993 108.293 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 669' ' ' ALA . . . . . 0.594 ' O ' HD21 ' A' ' 675' ' ' LEU . . . -69.32 -11.57 60.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 62.420000000000002 109.272 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 670' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -115.8 -2.59 12.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 71.209999999999994 110.291 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 671' ' ' ASN . . . . . 0.411 ' ND2' ' O ' ' A' ' 667' ' ' HIS . 1.1 m-80 -108.86 -15.49 14.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 62.039999999999999 109.311 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 14.8 mt -84.45 -174.96 5.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 74.109999999999999 109.298 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 1.3 p -98.31 6.78 47.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 43.509999999999998 110.008 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -60.5 -16.61 38.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.112 . . . . 71.040000000000006 109.277 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 675' ' ' LEU . . . . . 0.654 ' H ' HD22 ' A' ' 675' ' ' LEU . 0.3 OUTLIER -89.61 -64.66 1.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.135 . . . . 71.239999999999995 109.301 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 676' ' ' SER . . . . . . . . . . . . . 5.2 t -163.08 157.46 20.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 71.519999999999996 110.025 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 677' ' ' LEU . . . . . 0.61 HD12 ' N ' ' A' ' 677' ' ' LEU . 2.0 mp -85.79 -41.91 14.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 55.140000000000001 109.248 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 68.4 t0 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 73.239999999999995 109.275 -179.954 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 679' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 110.979 -0.849 . . . . 71.200000000000003 110.979 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 123.51 7.96 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.486 1.782 . . . . 72.409999999999997 111.038 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 5.2 m80 -115.38 -53.03 2.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.117 . . . . 74.420000000000002 109.625 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 545' ' ' MET . . . . . . . . . . . . . 60.9 mtp 47.77 49.94 16.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.085 . . . . 35.5 111.002 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 546' ' ' GLN . . . . . 0.538 ' C ' ' CD1' ' A' ' 547' ' ' PHE . 15.9 mt-30 -132.96 134.77 44.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 73.340000000000003 110.342 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 547' ' ' PHE . . . . . 0.637 ' N ' ' CD1' ' A' ' 547' ' ' PHE . 0.1 OUTLIER -149.33 103.33 3.31 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 53.340000000000003 111.027 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 548' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 145.64 31.73 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.442 1.759 . . . . 71.030000000000001 110.984 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 549' ' ' VAL . . . . . 0.51 HG23 ' CB ' ' A' ' 567' ' ' SER . 30.2 m -52.34 -44.05 41.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 72.519999999999996 109.281 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -53.95 -27.2 29.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 64.209999999999994 110.34 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 9.8 m170 -92.0 -22.56 19.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 63.520000000000003 109.574 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 552' ' ' VAL . . . . . 0.738 HG21 ' HB3' ' A' ' 657' ' ' PHE . 33.4 t -93.83 124.27 46.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 63.530000000000001 109.333 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 553' ' ' GLN . . . . . 0.417 HE21 HD21 ' A' ' 555' ' ' LEU . 13.7 tt0 -111.08 145.67 38.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 75.409999999999997 110.322 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 554' ' ' LEU . . . . . 0.963 HD11 HD23 ' A' ' 569' ' ' LEU . 1.3 mt -86.2 112.57 21.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 71.140000000000001 109.298 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 555' ' ' LEU . . . . . 0.867 HD11 ' HB2' ' A' ' 641' ' ' GLU . 0.2 OUTLIER -133.36 -179.85 5.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 72.340000000000003 109.295 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 556' ' ' CYS . . . . . 0.529 ' O ' ' N ' ' A' ' 560' ' ' MET . 5.9 t -107.8 104.11 13.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 114.989 -1.005 . . . . 64.329999999999998 110.9 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 557' ' ' ILE . . . . . 0.734 HD13 ' O ' ' A' ' 636' ' ' ARG . 1.4 pt -35.67 -33.92 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.132 . . . . 72.439999999999998 109.31 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 558' ' ' ASN . . . . . 0.488 ' N ' ' O ' ' A' ' 556' ' ' CYS . 7.9 m-20 -78.73 -61.05 2.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 71.319999999999993 109.298 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 559' ' ' CYS . . . . . 0.467 ' O ' ' HB2' ' A' ' 560' ' ' MET . 1.8 m -74.03 -70.31 0.39 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 74.400000000000006 108.324 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 560' ' ' MET . . . . . 0.529 ' N ' ' O ' ' A' ' 556' ' ' CYS . 28.4 mtm 77.31 48.35 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 70.120000000000005 111.041 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 561' ' ' VAL . . . . . 0.661 ' O ' ' HB3' ' A' ' 562' ' ' ALA . 1.0 OUTLIER -115.01 -2.71 10.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 74.319999999999993 109.279 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 562' ' ' ALA . . . . . 0.779 ' CA ' HD23 ' A' ' 555' ' ' LEU . . . 82.46 102.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 72.109999999999999 109.245 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 563' ' ' VAL . . . . . 0.628 HG12 ' CD1' ' A' ' 587' ' ' TYR . 2.3 m -99.27 -4.15 9.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 54.130000000000003 109.327 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . 177.14 -160.12 26.9 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.445 1.091 . . . . 61.109999999999999 110.991 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 565' ' ' HIS . . . . . . . . . . . . . 51.4 m-70 -124.55 144.4 50.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 0.782 . . . . 73.099999999999994 109.581 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . -73.24 -2.25 58.62 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.549 1.156 . . . . 73.540000000000006 111.026 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 567' ' ' SER . . . . . 0.51 ' CB ' HG23 ' A' ' 549' ' ' VAL . 15.2 p -115.43 10.87 15.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 0.759 . . . . 44.43 110.033 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -113.85 -12.62 12.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 62.32 109.31 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 569' ' ' LEU . . . . . 0.963 HD23 HD11 ' A' ' 554' ' ' LEU . 0.1 OUTLIER -90.8 168.07 12.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 71.409999999999997 109.319 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 570' ' ' ARG . . . . . 0.418 ' CG ' ' O ' ' A' ' 569' ' ' LEU . 66.0 mtt-85 -158.82 136.81 10.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 75.25 110.28 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 571' ' ' LYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 661' ' ' ASP . 10.8 ptpt -73.31 157.66 36.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 62.409999999999997 109.299 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 572' ' ' VAL . . . . . 0.658 HG23 ' CG2' ' A' ' 578' ' ' VAL . 2.7 t -110.72 98.84 7.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 65.120000000000005 109.295 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 573' ' ' GLU . . . . . 0.473 ' CG ' ' O ' ' A' ' 572' ' ' VAL . 9.0 pt-20 46.86 24.11 0.32 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 73.200000000000003 110.277 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 574' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' A' ' 575' ' ' THR . . . 87.82 -23.36 13.84 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.485 1.116 . . . . 74.319999999999993 111.007 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 575' ' ' THR . . . . . 0.603 HG21 ' CZ2' ' A' ' 604' ' ' TRP . 52.7 m -36.23 -76.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 0.741 . . . . 72.409999999999997 110.426 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 50.2 m80 -147.99 150.56 34.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 74.200000000000003 109.58 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 577' ' ' HIS . . . . . 1.038 ' CD2' HG11 ' A' ' 659' ' ' VAL . 6.4 m80 -71.79 116.38 12.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 74.530000000000001 109.611 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 578' ' ' VAL . . . . . 0.688 HG12 ' O ' ' A' ' 631' ' ' PRO . 26.9 m -115.92 118.49 58.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 72.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 579' ' ' ASN . . . . . 0.48 ' HA ' ' CB ' ' A' ' 569' ' ' LEU . 2.4 t-20 -90.52 119.9 31.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.581 1.176 . . . . 73.040000000000006 109.279 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 580' ' ' VAL . . . . . 0.918 HG22 HD22 ' A' ' 630' ' ' LEU . 2.7 t -95.9 130.79 44.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 54.509999999999998 109.292 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 581' ' ' ASN . . . . . . . . . . . . . 5.2 t30 176.49 141.28 0.23 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 70.010000000000005 109.312 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 582' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -46.19 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.545 1.813 . . . . 64.329999999999998 110.991 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 583' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -54.78 -19.62 6.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 71.409999999999997 109.292 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 584' ' ' PHE . . . . . 0.494 ' O ' ' CD2' ' A' ' 588' ' ' TYR . 1.8 t80 -58.99 -44.25 91.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 75.239999999999995 111.0 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 585' ' ' SER . . . . . 0.528 ' HA ' ' CE2' ' A' ' 588' ' ' TYR . 10.9 p -53.24 -25.32 13.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.454 1.097 . . . . 72.120000000000005 109.996 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -88.26 -23.32 23.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 55.140000000000001 109.307 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 587' ' ' TYR . . . . . 0.628 ' CD1' HG12 ' A' ' 563' ' ' VAL . 13.8 m-85 -88.55 6.8 36.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 75.239999999999995 110.979 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 588' ' ' TYR . . . . . 0.781 ' CD1' HG23 ' A' ' 610' ' ' ILE . 0.9 OUTLIER -165.45 158.72 16.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 73.25 110.982 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 589' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -133.11 121.01 22.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 55.43 109.276 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 590' ' ' VAL . . . . . 0.778 HG23 ' HE1' ' A' ' 588' ' ' TYR . 7.4 t -72.45 149.3 8.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 73.439999999999998 109.311 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 591' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 592' ' ' ARG . 48.0 t -64.51 141.91 58.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 72.349999999999994 109.99 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 592' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 591' ' ' SER . 0.1 OUTLIER -35.62 -57.48 0.64 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.545 1.153 . . . . 74.519999999999996 110.326 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.07 148.13 62.29 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.152 . . . . 74.450000000000003 109.328 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 -89.71 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.459 1.768 . . . . 65.510000000000005 110.977 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 69.6 t -104.92 128.89 58.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 62.200000000000003 109.311 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 596' ' ' VAL . . . . . . . . . . . . . 2.1 t -136.18 79.55 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 63.530000000000001 109.318 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 597' ' ' ILE . . . . . 0.492 ' CG2' ' N ' ' A' ' 598' ' ' ASN . 2.3 mt -142.49 163.29 18.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 74.310000000000002 109.308 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 598' ' ' ASN . . . . . 0.492 ' N ' ' CG2' ' A' ' 597' ' ' ILE . 67.5 m-20 -91.29 -64.64 1.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 61.219999999999999 109.276 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 599' ' ' LYS . . . . . 0.598 ' NZ ' ' CE2' ' A' ' 601' ' ' PHE . 1.4 tmtt? -86.92 138.39 31.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 62.350000000000001 109.298 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 600' ' ' VAL . . . . . . . . . . . . . 56.8 t -102.85 154.05 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.151 . . . . 62.030000000000001 109.291 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 601' ' ' PHE . . . . . 0.598 ' CE2' ' NZ ' ' A' ' 599' ' ' LYS . 53.4 m-85 -105.03 167.41 9.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 74.5 110.962 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 602' ' ' LYS . . . . . 0.438 ' C ' ' N ' ' A' ' 604' ' ' TRP . 12.2 tptp -108.99 -62.0 1.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 54.399999999999999 109.252 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -42.0 -28.69 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 74.530000000000001 109.253 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 604' ' ' TRP . . . . . 0.603 ' CZ2' HG21 ' A' ' 575' ' ' THR . 0.3 OUTLIER -157.22 179.41 9.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 74.450000000000003 108.021 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 605' ' ' LYS . . . . . 0.641 ' HE2' HD13 ' A' ' 624' ' ' ILE . 5.0 ptmt -121.08 151.91 55.99 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 74.400000000000006 109.299 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 606' ' ' PRO . . . . . 0.446 ' HB3' HD12 ' A' ' 597' ' ' ILE . 18.2 Cg_endo -75.0 142.5 27.92 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.468 1.773 . . . . 73.319999999999993 110.994 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 607' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 622' ' ' GLN . . . -105.74 -120.92 4.76 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.555 1.159 . . . . 70.230000000000004 111.026 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 608' ' ' GLY . . . . . 0.406 ' O ' ' HA ' ' A' ' 621' ' ' LEU . . . -139.61 151.91 22.24 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 110.972 -0.851 . . . . 64.409999999999997 110.972 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 609' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' ' 620' ' ' GLY . 50.2 t -56.33 129.72 18.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.442 0.731 . . . . 72.409999999999997 109.264 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 610' ' ' ILE . . . . . 0.781 HG23 ' CD1' ' A' ' 588' ' ' TYR . 0.8 OUTLIER -102.19 143.37 14.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 71.530000000000001 109.31 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 611' ' ' SER . . . . . 0.404 ' O ' ' HA ' ' A' ' 588' ' ' TYR . 0.7 OUTLIER -136.84 117.88 14.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 63.409999999999997 109.993 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 612' ' ' CYS . . . . . 0.455 ' O ' ' N ' ' A' ' 616' ' ' GLY . 39.7 t -49.21 118.17 2.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 61.539999999999999 108.274 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 9.2 ttt180 -67.88 -28.02 67.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 65.319999999999993 110.328 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 614' ' ' ASN . . . . . 0.452 ' ND2' HG22 ' A' ' 561' ' ' VAL . 66.7 m-20 -65.13 -39.12 92.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 63.399999999999999 109.292 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 615' ' ' CYS . . . . . 0.401 ' SG ' ' N ' ' A' ' 559' ' ' CYS . 0.2 OUTLIER -125.35 -75.02 0.59 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 73.200000000000003 108.234 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 616' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 148.53 -18.07 1.29 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.486 1.116 . . . . 63.420000000000002 111.01 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 617' ' ' GLU . . . . . 0.436 ' OE1' ' ND2' ' A' ' 558' ' ' ASN . 9.0 tp10 -42.78 102.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 0.74 . . . . 70.140000000000001 110.276 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 57.3 t -54.25 112.28 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.54 1.15 . . . . 73.239999999999995 109.316 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 619' ' ' TRP . . . . . 0.787 ' CE2' ' HE3' ' A' ' 638' ' ' MET . 42.2 m0 -71.0 -51.03 27.86 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.964 -1.124 . . . . 75.310000000000002 107.964 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 620' ' ' GLY . . . . . 0.4 ' O ' ' HA ' ' A' ' 609' ' ' VAL . . . 176.8 -99.2 0.13 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 75.329999999999998 110.983 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 621' ' ' LEU . . . . . 0.763 ' C ' HD23 ' A' ' 621' ' ' LEU . 0.0 OUTLIER -162.07 170.33 19.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 0.775 . . . . 73.450000000000003 109.289 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 622' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 607' ' ' GLY . 0.2 OUTLIER -95.71 162.99 13.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 73.510000000000005 110.311 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 623' ' ' MET . . . . . 0.636 ' C ' HD12 ' A' ' 624' ' ' ILE . 6.9 mtp -146.95 151.49 37.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 73.140000000000001 111.007 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 624' ' ' ILE . . . . . 0.769 ' N ' HD12 ' A' ' 624' ' ' ILE . 2.7 mp -120.91 132.47 70.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 75.040000000000006 109.334 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 625' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -138.56 101.04 4.25 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.545 1.153 . . . . 75.409999999999997 111.003 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 626' ' ' LYS . . . . . 0.51 ' O ' ' CB ' ' A' ' 627' ' ' SER . 0.0 OUTLIER 68.32 22.17 8.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 71.099999999999994 109.284 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 627' ' ' SER . . . . . 0.51 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.1 p 86.02 39.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 71.209999999999994 109.998 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 628' ' ' VAL . . . . . 0.681 HG12 ' CD2' ' A' ' 630' ' ' LEU . 63.0 t -126.78 116.67 45.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 65.200000000000003 109.306 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 629' ' ' LYS . . . . . 0.428 ' O ' HD23 ' A' ' 630' ' ' LEU . 7.4 mmmm -71.72 99.68 2.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 64.120000000000005 109.329 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 630' ' ' LEU . . . . . 0.918 HD22 HG22 ' A' ' 580' ' ' VAL . 44.2 mt -120.93 111.24 34.3 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 55.240000000000002 109.308 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 631' ' ' PRO . . . . . 0.688 ' O ' HG12 ' A' ' 578' ' ' VAL . 18.2 Cg_endo -75.0 166.25 29.6 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.502 1.791 . . . . 75.439999999999998 111.008 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 632' ' ' VAL . . . . . 0.759 ' C ' HD13 ' A' ' 633' ' ' LEU . 69.7 t -128.97 93.01 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 51.219999999999999 109.278 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 633' ' ' LEU . . . . . 0.828 ' N ' HD13 ' A' ' 633' ' ' LEU . 0.0 OUTLIER -99.75 171.64 7.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 74.120000000000005 109.331 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 634' ' ' LYS . . . . . 0.418 ' C ' ' CZ2' ' A' ' 652' ' ' TRP . 6.9 mtmm -105.82 -177.39 3.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 70.549999999999997 109.302 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 635' ' ' VAL . . . . . 0.84 HG11 ' C ' ' A' ' 651' ' ' LYS . 7.9 p -103.08 -14.83 8.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 60.119999999999997 109.294 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 636' ' ' ARG . . . . . 0.734 ' O ' HD13 ' A' ' 557' ' ' ILE . 13.5 ptt180 -90.21 -5.57 56.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 72.349999999999994 110.291 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 1.4 t -112.49 -13.99 13.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 75.430000000000007 110.001 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 638' ' ' MET . . . . . 0.787 ' HE3' ' CE2' ' A' ' 619' ' ' TRP . 33.1 mmt -108.61 131.73 54.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 73.420000000000002 110.989 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 639' ' ' LEU . . . . . 0.921 HD21 ' HD2' ' A' ' 646' ' ' ARG . 13.3 tp -96.74 142.65 28.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 43.329999999999998 109.312 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 640' ' ' LEU . . . . . 0.492 HD13 ' C ' ' A' ' 639' ' ' LEU . 0.8 OUTLIER -110.27 93.44 4.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 74.519999999999996 109.325 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . 0.867 ' HB2' HD11 ' A' ' 555' ' ' LEU . 5.6 mt-10 -74.58 119.16 18.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 73.219999999999999 110.313 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 642' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -129.36 159.66 68.08 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 71.25 110.416 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 2.35 6.74 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.479 1.778 . . . . 44.109999999999999 111.008 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -110.96 -6.77 14.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 74.109999999999999 110.311 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 126.26 139.38 5.06 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.523 1.139 . . . . 72.310000000000002 110.974 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 646' ' ' ARG . . . . . 0.921 ' HD2' HD21 ' A' ' 639' ' ' LEU . 15.4 mtm105 -56.3 151.65 12.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 0.739 . . . . 74.239999999999995 110.288 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 647' ' ' ILE . . . . . . . . . . . . . 18.7 mt -138.11 128.14 35.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 63.119999999999997 109.324 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 648' ' ' GLN . . . . . 0.727 ' OE1' HD12 ' A' ' 557' ' ' ILE . 0.1 OUTLIER -121.13 95.44 4.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 54.009999999999998 110.271 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 649' ' ' ALA . . . . . . . . . . . . . . . -92.95 160.73 14.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 62.340000000000003 109.321 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 650' ' ' LYS . . . . . 0.494 ' C ' ' CG1' ' A' ' 635' ' ' VAL . 10.1 mmtp -99.67 -28.55 13.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 74.049999999999997 109.264 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 651' ' ' LYS . . . . . 0.84 ' C ' HG11 ' A' ' 635' ' ' VAL . 19.5 mmmt -125.55 144.98 50.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 74.340000000000003 109.312 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 652' ' ' TRP . . . . . 0.793 ' HA ' HG23 ' A' ' 655' ' ' VAL . 35.7 m95 -67.32 -11.89 58.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 73.049999999999997 108.0 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 3.0 m -66.42 -10.07 40.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 62.299999999999997 110.014 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 654' ' ' ARG . . . . . 0.403 ' NH1' ' HB2' ' A' ' 651' ' ' LYS . 7.8 mmt-85 -114.27 -14.38 12.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.121 . . . . 71.25 110.292 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 655' ' ' VAL . . . . . 0.793 HG23 ' HA ' ' A' ' 652' ' ' TRP . 2.4 t -40.26 125.66 1.73 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.442 1.089 . . . . 64.340000000000003 109.289 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 656' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 655' ' ' VAL . 18.5 Cg_endo -75.03 -49.71 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.466 1.771 . . . . 74.5 111.0 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 657' ' ' PHE . . . . . 0.795 ' CE2' HG22 ' A' ' 659' ' ' VAL . 50.8 p90 -68.06 160.78 28.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 73.420000000000002 110.992 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 658' ' ' SER . . . . . 0.419 ' O ' ' CG1' ' A' ' 549' ' ' VAL . 9.8 m -88.44 149.54 23.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 33.299999999999997 110.04 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 659' ' ' VAL . . . . . 1.038 HG11 ' CD2' ' A' ' 577' ' ' HIS . 2.1 t -135.98 96.85 12.71 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 65.439999999999998 109.274 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 660' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 147.48 34.11 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.45 1.763 . . . . 72.120000000000005 111.013 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 661' ' ' ASP . . . . . 0.401 ' HA ' ' O ' ' A' ' 571' ' ' LYS . 19.6 p-10 -56.95 151.29 15.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 71.109999999999999 109.249 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 662' ' ' PHE . . . . . 0.718 ' CE1' ' CD2' ' A' ' 667' ' ' HIS . 51.4 t80 -52.22 118.35 3.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 75.510000000000005 111.006 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 663' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -74.07 80.85 1.73 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 73.409999999999997 109.321 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 664' ' ' PHE . . . . . 0.432 ' O ' ' CB ' ' A' ' 668' ' ' CYS . 5.3 t80 -63.19 -31.5 72.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.443 1.09 . . . . 62.509999999999998 110.996 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 665' ' ' LEU . . . . . 0.444 ' O ' ' HB2' ' A' ' 669' ' ' ALA . 10.1 mt -64.74 -37.26 86.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 73.549999999999997 109.285 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 666' ' ' GLN . . . . . 0.405 ' O ' ' N ' ' A' ' 669' ' ' ALA . 14.9 tt0 -79.75 -61.07 2.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 73.5 110.321 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 667' ' ' HIS . . . . . 0.718 ' CD2' ' CE1' ' A' ' 662' ' ' PHE . 84.2 m-70 -47.5 -45.53 26.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 75.25 109.588 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 668' ' ' CYS . . . . . 0.432 ' CB ' ' O ' ' A' ' 664' ' ' PHE . 34.8 t -66.91 -35.05 79.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 62.219999999999999 108.3 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 669' ' ' ALA . . . . . 0.444 ' HB2' ' O ' ' A' ' 665' ' ' LEU . . . -73.61 -11.62 60.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 54.509999999999998 109.3 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 670' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -115.78 -2.25 12.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 74.409999999999997 110.261 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 671' ' ' ASN . . . . . 0.434 ' ND2' ' O ' ' A' ' 667' ' ' HIS . 1.5 m-80 -106.98 -18.99 13.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 72.329999999999998 109.279 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 11.7 mt -95.53 -175.17 3.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 72.049999999999997 109.284 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 673' ' ' SER . . . . . 0.46 ' HB3' ' CD1' ' A' ' 677' ' ' LEU . 4.3 m -122.89 8.83 9.36 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 74.019999999999996 109.989 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -62.7 -15.64 53.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 51.240000000000002 109.316 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 675' ' ' LEU . . . . . 0.641 ' N ' HD22 ' A' ' 675' ' ' LEU . 1.6 mm? -87.03 -62.02 1.6 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 75.099999999999994 109.268 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 676' ' ' SER . . . . . 0.729 ' C ' HD13 ' A' ' 677' ' ' LEU . 4.9 p -169.94 175.77 5.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 75.140000000000001 110.005 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 677' ' ' LEU . . . . . 0.729 HD13 ' C ' ' A' ' 676' ' ' SER . 0.1 OUTLIER -114.82 -39.29 3.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 74.209999999999994 109.291 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 41.8 t0 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 61.140000000000001 109.343 -179.995 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 679' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 N-CA-C 111.034 -0.826 . . . . 61.32 111.034 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 123.38 7.86 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.477 1.777 . . . . 73.5 111.034 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -91.78 164.66 13.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 71.239999999999995 109.594 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 545' ' ' MET . . . . . . . . . . . . . 8.6 mtp -101.49 68.06 1.17 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 74.430000000000007 110.992 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 546' ' ' GLN . . . . . 0.522 ' C ' ' CD1' ' A' ' 547' ' ' PHE . 19.4 mt-30 -125.06 140.95 52.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 62.240000000000002 110.349 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 547' ' ' PHE . . . . . 0.624 ' N ' ' CD1' ' A' ' 547' ' ' PHE . 0.1 OUTLIER -149.32 102.47 3.31 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 73.439999999999998 111.007 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 548' ' ' PRO . . . . . 0.439 ' HB2' ' CG ' ' A' ' 550' ' ' GLU . 18.3 Cg_endo -74.98 137.63 22.0 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.505 1.792 . . . . 53.0 110.996 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 549' ' ' VAL . . . . . 0.485 HG23 ' CB ' ' A' ' 567' ' ' SER . 35.6 m -48.46 -40.31 10.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 60.329999999999998 109.267 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 550' ' ' GLU . . . . . 0.439 ' CG ' ' HB2' ' A' ' 548' ' ' PRO . 2.1 pt-20 -57.53 -35.04 69.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 73.540000000000006 110.304 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 10.4 m170 -82.69 -16.71 47.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 74.430000000000007 109.609 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 552' ' ' VAL . . . . . 0.838 HG21 ' HB3' ' A' ' 657' ' ' PHE . 77.5 t -94.49 128.11 45.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 73.099999999999994 109.321 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 553' ' ' GLN . . . . . 0.483 ' O ' HD12 ' A' ' 555' ' ' LEU . 10.3 tt0 -117.65 142.43 47.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 73.400000000000006 110.315 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 554' ' ' LEU . . . . . 1.017 HD11 HD23 ' A' ' 569' ' ' LEU . 1.2 mt -83.89 114.05 21.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 62.32 109.288 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 555' ' ' LEU . . . . . 0.554 HD23 ' HB2' ' A' ' 562' ' ' ALA . 0.2 OUTLIER -135.89 177.06 8.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 74.420000000000002 109.286 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 556' ' ' CYS . . . . . 0.52 ' O ' ' N ' ' A' ' 560' ' ' MET . 5.8 t -101.88 105.1 15.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.002 -0.999 . . . . 44.100000000000001 110.912 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 557' ' ' ILE . . . . . 0.535 HD13 ' O ' ' A' ' 636' ' ' ARG . 0.8 OUTLIER -34.4 -35.62 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 75.400000000000006 109.296 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 558' ' ' ASN . . . . . 0.488 ' N ' ' O ' ' A' ' 556' ' ' CYS . 8.0 m-20 -79.45 -61.67 1.93 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 74.400000000000006 109.321 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 559' ' ' CYS . . . . . 0.472 ' O ' ' HB2' ' A' ' 560' ' ' MET . 1.9 m -71.01 -71.61 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.093 . . . . 62.0 108.323 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 560' ' ' MET . . . . . 0.52 ' N ' ' O ' ' A' ' 556' ' ' CYS . 30.8 mtm 77.36 42.15 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 70.219999999999999 110.997 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 561' ' ' VAL . . . . . 0.674 ' O ' ' HB3' ' A' ' 562' ' ' ALA . 1.0 OUTLIER -107.14 -3.68 10.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.559 1.162 . . . . 62.009999999999998 109.329 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 562' ' ' ALA . . . . . 0.674 ' HB3' ' O ' ' A' ' 561' ' ' VAL . . . 84.09 100.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 50.299999999999997 109.255 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 563' ' ' VAL . . . . . 0.582 HG12 ' CD1' ' A' ' 587' ' ' TYR . 2.0 m -99.02 -4.86 9.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 71.409999999999997 109.305 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . 179.91 -161.0 26.45 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.467 1.104 . . . . 61.329999999999998 111.012 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 565' ' ' HIS . . . . . 0.43 ' NE2' ' OE1' ' A' ' 553' ' ' GLN . 49.9 m80 -125.76 145.43 50.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 0.77 . . . . 74.310000000000002 109.636 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 566' ' ' GLY . . . . . 0.572 ' O ' HD11 ' A' ' 569' ' ' LEU . . . -73.62 -14.95 79.41 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.484 1.115 . . . . 64.200000000000003 111.002 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 567' ' ' SER . . . . . 0.485 ' CB ' HG23 ' A' ' 549' ' ' VAL . 18.5 p -105.01 8.39 34.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 0.74 . . . . 60.219999999999999 110.017 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -109.05 -21.01 12.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 75.239999999999995 109.316 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 569' ' ' LEU . . . . . 1.017 HD23 HD11 ' A' ' 554' ' ' LEU . 0.2 OUTLIER -81.88 155.45 25.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 71.319999999999993 109.278 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 570' ' ' ARG . . . . . 0.487 ' CZ ' ' NE2' ' A' ' 667' ' ' HIS . 30.2 mtm180 -147.73 144.64 28.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 75.010000000000005 110.307 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 571' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 662' ' ' PHE . 19.2 ttmt -73.36 158.25 35.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 73.439999999999998 109.295 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 572' ' ' VAL . . . . . 0.559 HG12 ' HG2' ' A' ' 573' ' ' GLU . 2.8 t -122.0 112.74 36.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 74.230000000000004 109.294 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 573' ' ' GLU . . . . . 0.559 ' HG2' HG12 ' A' ' 572' ' ' VAL . 7.0 pt-20 43.74 35.0 0.94 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 71.530000000000001 110.284 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 45.38 43.97 10.5 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.522 1.139 . . . . 73.019999999999996 111.009 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 1.5 m -109.24 -48.98 3.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 0.773 . . . . 55.229999999999997 110.387 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -159.2 135.13 8.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 42.329999999999998 109.606 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 577' ' ' HIS . . . . . 0.689 ' CD2' ' CG ' ' A' ' 652' ' ' TRP . 7.8 m-70 -64.32 126.0 26.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 73.439999999999998 109.611 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 578' ' ' VAL . . . . . 0.492 ' CG1' HG22 ' A' ' 632' ' ' VAL . 30.9 m -130.0 126.61 62.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 71.239999999999995 109.352 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 579' ' ' ASN . . . . . 0.466 ' HA ' ' CB ' ' A' ' 569' ' ' LEU . 1.9 t-20 -92.53 121.24 33.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 74.200000000000003 109.306 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 580' ' ' VAL . . . . . 0.777 HG22 HD22 ' A' ' 630' ' ' LEU . 3.8 t -95.11 138.37 21.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 74.510000000000005 109.255 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 581' ' ' ASN . . . . . 0.76 HD21 ' ND2' ' A' ' 583' ' ' ASN . 23.6 t-20 173.35 130.74 0.1 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 74.430000000000007 109.307 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 582' ' ' PRO . . . . . 0.418 ' HD2' ' ND2' ' A' ' 581' ' ' ASN . 18.4 Cg_endo -74.96 -24.95 12.41 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.494 1.786 . . . . 45.420000000000002 111.066 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 583' ' ' ASN . . . . . 0.76 ' ND2' HD21 ' A' ' 581' ' ' ASN . 0.2 OUTLIER -80.9 -1.51 43.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 75.230000000000004 109.275 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 584' ' ' PHE . . . . . 0.482 ' O ' ' CD2' ' A' ' 588' ' ' TYR . 2.7 t80 -75.99 -31.16 58.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 73.340000000000003 110.991 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 6.3 m -58.59 -27.02 64.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 51.020000000000003 109.981 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -87.16 -14.07 42.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 74.420000000000002 109.295 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 587' ' ' TYR . . . . . 0.582 ' CD1' HG12 ' A' ' 563' ' ' VAL . 3.0 m-85 -95.46 6.87 47.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 72.109999999999999 111.017 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 588' ' ' TYR . . . . . 0.839 ' CD1' HG23 ' A' ' 610' ' ' ILE . 0.9 OUTLIER -167.98 158.48 10.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 61.240000000000002 110.99 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 589' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -132.95 124.53 27.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 75.530000000000001 109.325 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 590' ' ' VAL . . . . . 0.742 HG23 ' HE1' ' A' ' 588' ' ' TYR . 39.9 t -72.87 149.86 8.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.153 . . . . 74.230000000000004 109.246 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 4.0 t -60.42 174.63 0.53 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 64.409999999999997 110.023 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 26.3 ttp180 -57.01 -64.86 0.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 75.209999999999994 110.309 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -54.59 151.28 14.99 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 71.400000000000006 109.262 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -76.71 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.446 1.761 . . . . 72.310000000000002 110.984 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 595' ' ' VAL . . . . . 0.437 HG22 ' O ' ' A' ' 607' ' ' GLY . 77.8 t -122.97 123.82 68.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 62.340000000000003 109.281 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 596' ' ' VAL . . . . . . . . . . . . . 2.2 t -134.26 91.75 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.543 1.152 . . . . 72.530000000000001 109.281 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 597' ' ' ILE . . . . . 0.479 HG22 ' N ' ' A' ' 598' ' ' ASN . 3.5 mm -137.15 164.69 29.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.422 1.076 . . . . 60.539999999999999 109.306 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 598' ' ' ASN . . . . . 0.479 ' N ' HG22 ' A' ' 597' ' ' ILE . 16.0 t30 -87.91 -51.04 6.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 73.340000000000003 109.27 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.79 138.57 50.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 61.219999999999999 109.283 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 600' ' ' VAL . . . . . . . . . . . . . 16.7 t -98.74 151.23 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 65.340000000000003 109.32 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 601' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -99.98 168.13 10.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 75.340000000000003 110.988 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 602' ' ' LYS . . . . . 0.429 ' C ' ' N ' ' A' ' 604' ' ' TRP . 17.3 mmtp -105.94 -62.84 1.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 74.200000000000003 109.312 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 603' ' ' ASP . . . . . 0.431 ' CB ' ' OE1' ' A' ' 573' ' ' GLU . 47.2 m-20 -40.75 -29.85 0.11 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.125 . . . . 53.229999999999997 109.317 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 604' ' ' TRP . . . . . 0.53 ' CE2' ' SD ' ' A' ' 623' ' ' MET . 0.5 OUTLIER -157.16 174.8 14.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 74.409999999999997 108.032 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 605' ' ' LYS . . . . . 0.622 ' NZ ' HD13 ' A' ' 624' ' ' ILE . 6.0 ptmm? -112.04 154.0 44.39 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 71.329999999999998 109.284 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 606' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 140.93 26.08 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.509 1.794 . . . . 73.030000000000001 111.051 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 607' ' ' GLY . . . . . 0.437 ' O ' HG22 ' A' ' 595' ' ' VAL . . . -99.9 -127.11 5.9 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.494 1.121 . . . . 43.299999999999997 110.996 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 608' ' ' GLY . . . . . 0.418 ' O ' ' HA ' ' A' ' 621' ' ' LEU . . . -141.13 156.46 25.6 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.989 -0.844 . . . . 70.109999999999999 110.989 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 609' ' ' VAL . . . . . 0.411 ' H ' HG23 ' A' ' 609' ' ' VAL . 12.1 t -53.97 134.34 16.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.508 0.77 . . . . 73.519999999999996 109.265 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 610' ' ' ILE . . . . . 0.839 HG23 ' CD1' ' A' ' 588' ' ' TYR . 0.8 OUTLIER -110.26 143.93 19.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 72.120000000000005 109.305 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 611' ' ' SER . . . . . 0.401 ' O ' ' HA ' ' A' ' 588' ' ' TYR . 0.8 OUTLIER -137.85 119.1 14.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 62.020000000000003 110.028 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 612' ' ' CYS . . . . . 0.451 ' O ' ' N ' ' A' ' 616' ' ' GLY . 47.6 t -47.82 119.28 2.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 72.209999999999994 108.312 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 6.9 ttt-85 -67.51 -28.15 67.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 72.140000000000001 110.295 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 614' ' ' ASN . . . . . 0.524 ' ND2' HG22 ' A' ' 561' ' ' VAL . 60.5 m-20 -66.08 -40.05 90.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 65.430000000000007 109.294 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 615' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -123.22 -75.54 0.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 41.030000000000001 108.302 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 616' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 147.86 -17.21 1.4 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.516 1.135 . . . . 73.109999999999999 111.001 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 617' ' ' GLU . . . . . 0.428 ' OE2' ' ND2' ' A' ' 558' ' ' ASN . 2.9 tp10 -42.61 102.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 0.783 . . . . 65.409999999999997 110.325 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 91.1 t -53.58 112.32 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 74.030000000000001 109.301 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 619' ' ' TRP . . . . . 0.786 ' CE2' ' HE3' ' A' ' 638' ' ' MET . 34.4 m0 -71.31 -52.62 17.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 60.130000000000003 107.969 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 620' ' ' GLY . . . . . 0.401 ' O ' ' HA ' ' A' ' 609' ' ' VAL . . . 177.93 -97.73 0.11 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.504 1.128 . . . . 44.030000000000001 111.033 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 621' ' ' LEU . . . . . 0.698 ' C ' HD23 ' A' ' 621' ' ' LEU . 0.0 OUTLIER -161.21 170.63 19.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 0.775 . . . . 55.43 109.294 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 622' ' ' GLN . . . . . 0.449 ' HA ' HD11 ' A' ' 610' ' ' ILE . 0.6 OUTLIER -93.79 161.68 14.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 72.530000000000001 110.3 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 623' ' ' MET . . . . . 0.793 ' HG3' HG21 ' A' ' 632' ' ' VAL . 5.7 mmt -145.71 118.96 8.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 73.140000000000001 111.008 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 624' ' ' ILE . . . . . 0.731 ' N ' HD12 ' A' ' 624' ' ' ILE . 1.8 mp -95.36 134.1 33.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 35.219999999999999 109.304 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 625' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -140.02 105.64 5.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 74.019999999999996 111.021 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 626' ' ' LYS . . . . . 0.493 ' O ' ' CB ' ' A' ' 627' ' ' SER . 6.0 mmpt? 71.5 20.69 4.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 70.219999999999999 109.297 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 627' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.2 p 85.49 38.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 73.140000000000001 109.999 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 628' ' ' VAL . . . . . 0.716 HG12 ' HG ' ' A' ' 630' ' ' LEU . 38.8 t -128.18 113.36 30.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 71.109999999999999 109.265 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 3.0 mmmm -67.81 99.35 0.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 62.25 109.347 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 630' ' ' LEU . . . . . 0.777 HD22 HG22 ' A' ' 580' ' ' VAL . 66.2 mt -112.83 111.54 51.16 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 61.340000000000003 109.297 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 631' ' ' PRO . . . . . 0.619 ' HB2' HD11 ' A' ' 633' ' ' LEU . 18.3 Cg_endo -75.02 131.66 14.52 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.505 1.792 . . . . 72.430000000000007 111.018 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 632' ' ' VAL . . . . . 0.793 HG21 ' HG3' ' A' ' 623' ' ' MET . 91.7 t -99.35 93.4 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 60.43 109.299 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 633' ' ' LEU . . . . . 0.726 ' N ' HD13 ' A' ' 633' ' ' LEU . 0.0 OUTLIER -99.34 170.2 8.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 43.539999999999999 109.289 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 634' ' ' LYS . . . . . 0.474 ' HE3' ' CG ' ' A' ' 636' ' ' ARG . 0.6 OUTLIER -109.42 -169.56 1.5 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 73.150000000000006 109.238 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 635' ' ' VAL . . . . . 0.832 HG11 ' C ' ' A' ' 651' ' ' LYS . 12.0 p -112.0 -17.93 8.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 71.219999999999999 109.307 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 636' ' ' ARG . . . . . 0.535 ' O ' HD13 ' A' ' 557' ' ' ILE . 2.6 ptt85 -77.95 -9.6 59.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 73.109999999999999 110.291 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 637' ' ' SER . . . . . 0.463 ' HG ' ' HD1' ' A' ' 619' ' ' TRP . 89.8 p -121.52 -3.33 9.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 63.219999999999999 109.996 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 638' ' ' MET . . . . . 0.786 ' HE3' ' CE2' ' A' ' 619' ' ' TRP . 31.0 mmt -112.86 121.41 44.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 55.439999999999998 111.055 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 639' ' ' LEU . . . . . 0.827 HD12 ' H ' ' A' ' 640' ' ' LEU . 26.3 tp -89.82 152.24 21.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 71.409999999999997 109.333 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 640' ' ' LEU . . . . . 0.827 ' H ' HD12 ' A' ' 639' ' ' LEU . 6.9 mt -120.97 103.37 9.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 64.409999999999997 109.301 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . 0.425 ' HB2' HD11 ' A' ' 555' ' ' LEU . 5.4 mt-10 -73.92 126.59 30.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 71.049999999999997 110.306 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 642' ' ' THR . . . . . 0.754 HG21 HD12 ' A' ' 647' ' ' ILE . 1.9 p -135.52 159.03 73.08 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 74.040000000000006 110.387 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -20.07 17.11 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.473 1.775 . . . . 71.239999999999995 110.957 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -87.54 -16.0 35.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 73.109999999999999 110.299 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 135.45 133.88 3.3 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.493 1.121 . . . . 72.310000000000002 111.012 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 646' ' ' ARG . . . . . 0.808 ' HD2' HD21 ' A' ' 639' ' ' LEU . 24.6 mtm-85 -46.77 152.15 0.52 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 0.763 . . . . 62.310000000000002 110.307 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 647' ' ' ILE . . . . . 0.754 HD12 HG21 ' A' ' 642' ' ' THR . 11.2 mt -137.28 135.21 47.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 73.209999999999994 109.347 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 648' ' ' GLN . . . . . 0.417 ' OE1' ' N ' ' A' ' 649' ' ' ALA . 0.1 OUTLIER -133.86 117.01 16.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.103 . . . . 74.310000000000002 110.329 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 649' ' ' ALA . . . . . 0.417 ' N ' ' OE1' ' A' ' 648' ' ' GLN . . . -126.03 151.34 47.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 42.340000000000003 109.362 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 650' ' ' LYS . . . . . 0.439 ' HA ' ' CB ' ' A' ' 636' ' ' ARG . 7.2 mttm -94.56 4.73 53.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 71.049999999999997 109.32 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 651' ' ' LYS . . . . . 0.832 ' C ' HG11 ' A' ' 635' ' ' VAL . 2.0 mmmp? -142.66 142.54 32.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 74.010000000000005 109.294 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 652' ' ' TRP . . . . . 0.689 ' CG ' ' CD2' ' A' ' 577' ' ' HIS . 46.1 m95 -73.34 -17.1 61.33 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.994 -1.113 . . . . 64.099999999999994 107.994 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 2.2 m -63.65 -12.33 32.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 65.030000000000001 109.952 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 654' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 655' ' ' VAL . 9.2 mmt85 -107.23 -24.84 11.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 62.210000000000001 110.272 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 655' ' ' VAL . . . . . 0.767 HG23 HG21 ' A' ' 635' ' ' VAL . 2.4 t -40.41 125.23 1.79 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 63.140000000000001 109.277 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 656' ' ' PRO . . . . . 0.691 ' HD2' HD13 ' A' ' 640' ' ' LEU . 18.2 Cg_endo -75.01 -50.09 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.505 1.792 . . . . 64.409999999999997 110.97 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 657' ' ' PHE . . . . . 1.019 ' CE1' HG22 ' A' ' 659' ' ' VAL . 19.7 p90 -63.44 150.15 44.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.167 . . . . 62.409999999999997 110.971 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 658' ' ' SER . . . . . 0.405 ' O ' HG11 ' A' ' 549' ' ' VAL . 0.1 OUTLIER -83.25 143.21 30.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 75.030000000000001 110.002 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 659' ' ' VAL . . . . . 1.019 HG22 ' CE1' ' A' ' 657' ' ' PHE . 1.9 t -121.26 95.44 48.54 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 71.349999999999994 109.348 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 660' ' ' PRO . . . . . 0.412 ' O ' ' HA ' ' A' ' 570' ' ' ARG . 18.3 Cg_endo -75.01 147.88 34.48 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.561 1.821 . . . . 62.43 111.013 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 9.4 p30 -59.9 163.8 4.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 72.120000000000005 109.272 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 662' ' ' PHE . . . . . 0.587 ' CZ ' ' CG ' ' A' ' 667' ' ' HIS . 62.4 t80 -78.31 121.29 24.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 73.109999999999999 111.012 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 663' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -86.06 102.02 13.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 63.229999999999997 109.317 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 664' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -68.41 -18.21 64.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 63.240000000000002 111.034 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 16.6 mt -75.43 -55.53 5.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 75.319999999999993 109.323 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.32 -43.64 97.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 73.349999999999994 110.262 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 667' ' ' HIS . . . . . 0.587 ' CG ' ' CZ ' ' A' ' 662' ' ' PHE . 23.9 m-70 -62.51 -53.48 54.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 71.430000000000007 109.594 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 668' ' ' CYS . . . . . . . . . . . . . 24.7 t -63.35 -23.17 67.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 64.019999999999996 108.281 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 669' ' ' ALA . . . . . 0.491 ' O ' HD23 ' A' ' 675' ' ' LEU . . . -85.4 -11.67 53.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 75.340000000000003 109.322 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 670' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -115.84 -2.53 12.34 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.115 . . . . 74.439999999999998 110.264 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -101.85 -19.03 15.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 70.299999999999997 109.293 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 12.0 mt -98.95 -175.28 2.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 64.239999999999995 109.314 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 673' ' ' SER . . . . . 0.495 ' HB3' HD12 ' A' ' 677' ' ' LEU . 69.8 m -121.79 5.03 9.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 51.049999999999997 110.04 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -65.78 -15.55 62.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 72.519999999999996 109.254 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 675' ' ' LEU . . . . . 0.507 ' N ' HD22 ' A' ' 675' ' ' LEU . 2.1 mm? -96.67 -66.87 0.88 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.095 . . . . 72.519999999999996 109.313 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 676' ' ' SER . . . . . 0.736 ' C ' HD13 ' A' ' 677' ' ' LEU . 5.1 p -151.22 175.07 12.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 71.400000000000006 109.998 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 677' ' ' LEU . . . . . 0.736 HD13 ' C ' ' A' ' 676' ' ' SER . 0.1 OUTLIER -114.64 -39.8 3.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 74.450000000000003 109.298 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 31.0 t0 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 63.409999999999997 109.268 179.995 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 679' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.999 -0.841 . . . . 43.520000000000003 110.999 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -169.75 0.68 Allowed 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.495 1.787 . . . . 75.409999999999997 110.988 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 17.2 m-70 -112.74 158.44 20.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 54.350000000000001 109.557 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 545' ' ' MET . . . . . 0.49 ' C ' ' CE1' ' A' ' 547' ' ' PHE . 43.4 mtp -88.51 53.19 2.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 72.319999999999993 111.056 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 546' ' ' GLN . . . . . 0.584 ' C ' ' CD1' ' A' ' 547' ' ' PHE . 1.8 pt20 -113.55 145.15 41.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 73.019999999999996 110.28 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 547' ' ' PHE . . . . . 0.584 ' CD1' ' C ' ' A' ' 546' ' ' GLN . 0.7 OUTLIER -159.67 99.81 1.51 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 73.530000000000001 111.001 179.93 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 548' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 144.24 29.78 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.512 1.796 . . . . 74.030000000000001 110.963 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 549' ' ' VAL . . . . . 0.447 HG12 ' HB2' ' A' ' 657' ' ' PHE . 29.1 m -51.35 -44.62 31.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.12 . . . . 51.32 109.275 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -53.91 -28.8 39.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 65.140000000000001 110.319 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 8.7 m170 -90.79 -21.83 21.32 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.424 1.078 . . . . 51.530000000000001 109.61 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 552' ' ' VAL . . . . . 0.772 HG21 ' HB3' ' A' ' 657' ' ' PHE . 41.8 t -93.07 124.84 45.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 65.230000000000004 109.304 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -111.03 148.16 33.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 73.099999999999994 110.327 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 554' ' ' LEU . . . . . 0.83 HD11 HD23 ' A' ' 569' ' ' LEU . 0.7 OUTLIER -89.04 112.33 23.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 75.109999999999999 109.28 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 555' ' ' LEU . . . . . 0.861 HD11 ' HB2' ' A' ' 641' ' ' GLU . 0.2 OUTLIER -131.96 178.72 6.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 64.299999999999997 109.26 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 556' ' ' CYS . . . . . 0.519 ' O ' ' N ' ' A' ' 560' ' ' MET . 2.4 t -107.47 99.12 8.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 114.956 -1.02 . . . . 73.150000000000006 110.89 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 557' ' ' ILE . . . . . 0.881 HD13 ' O ' ' A' ' 636' ' ' ARG . 1.2 pt -31.49 -38.83 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 65.209999999999994 109.313 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 558' ' ' ASN . . . . . 0.516 ' N ' ' O ' ' A' ' 556' ' ' CYS . 13.7 m-20 -71.99 -64.21 0.98 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 61.140000000000001 109.277 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 559' ' ' CYS . . . . . 0.502 ' O ' ' HB2' ' A' ' 560' ' ' MET . 6.9 m -74.96 -70.48 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 71.349999999999994 108.314 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 560' ' ' MET . . . . . 0.519 ' N ' ' O ' ' A' ' 556' ' ' CYS . 28.1 mtm 79.14 46.37 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 62.340000000000003 110.988 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 561' ' ' VAL . . . . . 0.497 HG22 ' ND2' ' A' ' 614' ' ' ASN . 1.0 OUTLIER -114.67 15.65 8.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 74.549999999999997 109.281 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 562' ' ' ALA . . . . . 0.543 ' CA ' HD23 ' A' ' 555' ' ' LEU . . . 66.07 108.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 52.130000000000003 109.296 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 563' ' ' VAL . . . . . 0.793 HG12 ' CD1' ' A' ' 587' ' ' TYR . 1.1 m -107.4 -6.67 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 61.229999999999997 109.306 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -178.25 -158.08 20.26 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.465 1.103 . . . . 72.5 111.064 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 565' ' ' HIS . . . . . . . . . . . . . 39.2 m80 -128.83 146.13 51.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 0.746 . . . . 71.109999999999999 109.605 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . -75.36 -4.94 75.81 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.526 1.141 . . . . 70.400000000000006 111.022 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 567' ' ' SER . . . . . 0.407 ' CB ' HG23 ' A' ' 549' ' ' VAL . 20.2 p -112.18 9.12 20.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 0.793 . . . . 50.009999999999998 110.049 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 568' ' ' ASP . . . . . 0.482 ' O ' ' CZ ' ' A' ' 570' ' ' ARG . 4.2 t0 -110.36 -19.46 12.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 50.530000000000001 109.321 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 569' ' ' LEU . . . . . 0.833 HD13 HG13 ' A' ' 659' ' ' VAL . 0.1 OUTLIER -83.15 164.47 20.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 63.020000000000003 109.31 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 570' ' ' ARG . . . . . 0.482 ' CZ ' ' O ' ' A' ' 568' ' ' ASP . 0.6 OUTLIER -143.83 -177.64 5.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 61.439999999999998 110.293 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 571' ' ' LYS . . . . . 0.515 ' HD3' ' CE1' ' A' ' 577' ' ' HIS . 13.3 ttpt -117.81 158.57 24.55 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 72.099999999999994 109.31 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 572' ' ' VAL . . . . . 0.589 HG12 ' HG2' ' A' ' 573' ' ' GLU . 2.4 t -125.7 114.03 37.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 71.349999999999994 109.32 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 573' ' ' GLU . . . . . 0.589 ' HG2' HG12 ' A' ' 572' ' ' VAL . 17.9 pt-20 41.2 36.94 0.53 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 73.030000000000001 110.31 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 39.5 55.15 2.64 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.462 1.101 . . . . 73.140000000000001 110.987 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 2.2 m -131.27 -60.66 0.94 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.445 0.732 . . . . 72.129999999999995 110.383 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 576' ' ' HIS . . . . . 0.694 ' CE1' ' CZ2' ' A' ' 604' ' ' TRP . 0.0 OUTLIER -133.0 124.62 28.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 65.409999999999997 109.635 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 577' ' ' HIS . . . . . 0.537 ' CD2' ' CG ' ' A' ' 652' ' ' TRP . 30.7 m-70 -69.17 156.46 38.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 74.140000000000001 109.564 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 578' ' ' VAL . . . . . 0.926 HG12 HG22 ' A' ' 632' ' ' VAL . 18.1 m -155.93 115.19 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 70.109999999999999 109.268 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 579' ' ' ASN . . . . . 0.475 ' HB3' ' CD2' ' A' ' 633' ' ' LEU . 2.0 t-20 -86.88 111.6 20.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 70.200000000000003 109.323 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 580' ' ' VAL . . . . . 0.922 HG22 HD22 ' A' ' 630' ' ' LEU . 3.0 t -81.88 139.24 18.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 73.209999999999994 109.273 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 581' ' ' ASN . . . . . 0.476 ' CB ' ' HB2' ' A' ' 584' ' ' PHE . 20.3 m-20 178.86 128.44 0.22 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 74.140000000000001 109.279 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 582' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -34.08 4.06 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.48 1.779 . . . . 63.109999999999999 110.992 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 583' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -79.29 -2.37 41.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 75.310000000000002 109.317 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 584' ' ' PHE . . . . . 0.512 ' O ' ' CD2' ' A' ' 588' ' ' TYR . 3.6 t80 -69.2 -32.87 72.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 74.299999999999997 110.995 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 585' ' ' SER . . . . . 0.528 ' HA ' ' CE2' ' A' ' 588' ' ' TYR . 84.0 p -56.95 -24.8 55.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 43.200000000000003 109.995 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 23.8 m-80 -87.78 -18.5 29.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 75.349999999999994 109.264 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 587' ' ' TYR . . . . . 0.793 ' CD1' HG12 ' A' ' 563' ' ' VAL . 4.9 m-85 -91.92 2.23 56.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 71.409999999999997 110.964 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 588' ' ' TYR . . . . . 0.734 ' HE1' HG23 ' A' ' 590' ' ' VAL . 1.2 p90 -160.77 159.0 29.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 64.510000000000005 111.009 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 589' ' ' ASN . . . . . 0.466 ' ND2' ' N ' ' A' ' 589' ' ' ASN . 0.1 OUTLIER -128.41 128.95 45.43 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.472 1.108 . . . . 75.420000000000002 109.263 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 590' ' ' VAL . . . . . 0.734 HG23 ' HE1' ' A' ' 588' ' ' TYR . 13.0 t -76.05 133.99 29.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 73.519999999999996 109.336 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 591' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 592' ' ' ARG . 11.8 m -56.59 138.35 52.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 64.239999999999995 109.992 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 592' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 591' ' ' SER . 0.2 OUTLIER -36.72 -60.96 0.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 71.109999999999999 110.293 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 593' ' ' ASP . . . . . 0.406 ' O ' ' O ' ' A' ' 591' ' ' SER . 1.5 m-20 -47.42 158.41 0.48 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 63.439999999999998 109.267 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 594' ' ' PRO . . . . . 0.401 ' O ' ' O ' ' A' ' 607' ' ' GLY . 18.3 Cg_endo -75.01 -89.76 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.536 1.808 . . . . 41.520000000000003 110.99 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 595' ' ' VAL . . . . . 0.404 HG11 ' HG2' ' A' ' 606' ' ' PRO . 11.5 t -109.1 131.67 59.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 72.019999999999996 109.315 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 596' ' ' VAL . . . . . . . . . . . . . 2.1 t -135.57 83.3 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 72.349999999999994 109.274 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 597' ' ' ILE . . . . . 0.816 HD11 ' HG ' ' A' ' 621' ' ' LEU . 3.1 mm -134.26 159.95 41.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 61.219999999999999 109.262 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 598' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -82.08 -47.16 12.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 62.109999999999999 109.32 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 599' ' ' LYS . . . . . 0.521 ' NZ ' ' CE2' ' A' ' 601' ' ' PHE . 0.0 OUTLIER -125.01 135.25 52.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 74.239999999999995 109.286 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 600' ' ' VAL . . . . . 0.469 HG12 ' N ' ' A' ' 601' ' ' PHE . 21.5 t -86.53 166.55 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 73.340000000000003 109.295 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 601' ' ' PHE . . . . . 0.521 ' CE2' ' NZ ' ' A' ' 599' ' ' LYS . 24.7 m-85 -125.98 168.06 14.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 72.230000000000004 111.035 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 602' ' ' LYS . . . . . 0.421 ' C ' ' N ' ' A' ' 604' ' ' TRP . 51.0 mmtt -110.65 -53.5 2.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 73.019999999999996 109.3 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 603' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 602' ' ' LYS . 53.6 m-20 -40.67 -30.65 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 61.299999999999997 109.318 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 604' ' ' TRP . . . . . 0.694 ' CZ2' ' CE1' ' A' ' 576' ' ' HIS . 0.5 OUTLIER -156.33 167.09 31.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 74.230000000000004 108.001 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 605' ' ' LYS . . . . . . . . . . . . . 9.8 ptmt -108.92 154.29 41.96 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 72.329999999999998 109.284 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 606' ' ' PRO . . . . . 0.404 ' HG2' HG11 ' A' ' 595' ' ' VAL . 18.2 Cg_endo -74.96 171.51 18.17 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.434 1.755 . . . . 73.219999999999999 111.022 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 607' ' ' GLY . . . . . 0.554 ' H ' HD23 ' A' ' 621' ' ' LEU . . . -133.02 -106.2 0.97 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.492 1.12 . . . . 72.400000000000006 110.98 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 608' ' ' GLY . . . . . 0.644 ' HA3' HG13 ' A' ' 590' ' ' VAL . . . -141.97 145.88 16.52 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.006 -0.838 . . . . 75.030000000000001 111.006 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 26.3 t -53.85 123.77 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.52 0.776 . . . . 74.230000000000004 109.3 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 610' ' ' ILE . . . . . 0.652 HG23 ' CD1' ' A' ' 588' ' ' TYR . 0.6 OUTLIER -92.22 153.23 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 75.209999999999994 109.305 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.12 122.81 4.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 75.239999999999995 109.957 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 612' ' ' CYS . . . . . 0.45 ' O ' ' N ' ' A' ' 616' ' ' GLY . 25.6 t -48.43 116.99 1.77 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 71.120000000000005 108.335 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 9.5 ttt180 -71.81 -25.24 61.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 74.109999999999999 110.285 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 614' ' ' ASN . . . . . 0.497 ' ND2' HG22 ' A' ' 561' ' ' VAL . 85.8 m-20 -66.04 -35.86 81.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 52.539999999999999 109.291 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 615' ' ' CYS . . . . . 0.403 ' N ' ' SG ' ' A' ' 559' ' ' CYS . 1.4 m -127.42 -73.34 0.61 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.123 . . . . 72.209999999999994 108.288 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 616' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 150.98 -18.81 0.96 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.535 1.147 . . . . 61.520000000000003 111.026 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -42.08 102.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 0.781 . . . . 71.420000000000002 110.33 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 7.5 t -49.33 130.4 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 71.400000000000006 109.287 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 619' ' ' TRP . . . . . 0.833 ' CE2' ' HE3' ' A' ' 638' ' ' MET . 39.4 m0 -94.2 -36.21 12.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 74.230000000000004 107.994 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 620' ' ' GLY . . . . . . . . . . . . . . . 154.18 -113.5 0.57 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.455 1.097 . . . . 73.319999999999993 110.969 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 621' ' ' LEU . . . . . 0.816 ' HG ' HD11 ' A' ' 597' ' ' ILE . 0.0 OUTLIER -147.84 155.76 41.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 0.773 . . . . 74.230000000000004 109.297 -179.941 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 622' ' ' GLN . . . . . 0.641 ' HA ' HD11 ' A' ' 610' ' ' ILE . 1.1 tt0 -85.02 133.56 34.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 74.040000000000006 110.331 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 623' ' ' MET . . . . . 0.539 ' HG3' ' CH2' ' A' ' 604' ' ' TRP . 12.4 mmt -114.61 141.98 47.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 65.439999999999998 111.03 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 624' ' ' ILE . . . . . 0.663 ' N ' HD12 ' A' ' 624' ' ' ILE . 3.7 mp -115.37 141.53 31.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 63.200000000000003 109.302 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 625' ' ' TYR . . . . . 0.434 ' CE2' ' HG3' ' A' ' 626' ' ' LYS . 21.4 t80 -149.07 110.3 4.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 72.109999999999999 110.976 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 626' ' ' LYS . . . . . 0.492 ' O ' ' CB ' ' A' ' 627' ' ' SER . 1.2 mmpt? 68.47 18.54 8.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 74.430000000000007 109.306 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 627' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.2 p 85.37 39.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 51.340000000000003 109.998 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 628' ' ' VAL . . . . . 0.718 HG12 ' HG ' ' A' ' 630' ' ' LEU . 48.9 t -124.97 113.01 33.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.559 1.162 . . . . 62.509999999999998 109.323 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 629' ' ' LYS . . . . . 0.499 ' CE ' ' OE1' ' A' ' 622' ' ' GLN . 5.4 mmmm -71.44 99.38 1.99 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 62.520000000000003 109.324 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 630' ' ' LEU . . . . . 0.922 HD22 HG22 ' A' ' 580' ' ' VAL . 56.6 mt -115.55 111.76 43.74 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 73.109999999999999 109.313 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 631' ' ' PRO . . . . . 0.632 ' HB2' HD11 ' A' ' 633' ' ' LEU . 18.5 Cg_endo -74.98 129.59 12.5 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.5 1.789 . . . . 72.349999999999994 111.019 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 632' ' ' VAL . . . . . 0.951 ' C ' HD13 ' A' ' 633' ' ' LEU . 16.7 t -98.89 109.08 23.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 70.030000000000001 109.291 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 633' ' ' LEU . . . . . 0.951 HD13 ' C ' ' A' ' 632' ' ' VAL . 0.0 OUTLIER -111.03 171.73 7.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 53.409999999999997 109.327 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 634' ' ' LYS . . . . . 0.438 ' HE3' ' CG ' ' A' ' 636' ' ' ARG . 1.1 mtmt -99.95 -178.15 3.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.095 . . . . 73.129999999999995 109.299 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 635' ' ' VAL . . . . . 0.991 HG11 ' C ' ' A' ' 651' ' ' LYS . 13.9 p -102.63 -28.95 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 73.400000000000006 109.299 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 636' ' ' ARG . . . . . 0.881 ' O ' HD13 ' A' ' 557' ' ' ILE . 1.6 ptm180 -76.86 -17.59 58.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 72.430000000000007 110.265 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 4.9 p -99.47 -11.69 20.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 72.400000000000006 110.005 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 638' ' ' MET . . . . . 0.833 ' HE3' ' CE2' ' A' ' 619' ' ' TRP . 32.9 mmt -109.09 129.09 55.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 73.010000000000005 111.034 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 639' ' ' LEU . . . . . 0.823 HD12 ' N ' ' A' ' 640' ' ' LEU . 7.2 tp -93.03 141.31 28.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 44.119999999999997 109.318 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 640' ' ' LEU . . . . . 0.823 ' N ' HD12 ' A' ' 639' ' ' LEU . 0.7 OUTLIER -109.18 94.37 5.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 71.319999999999993 109.253 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . 0.861 ' HB2' HD11 ' A' ' 555' ' ' LEU . 7.3 mt-10 -75.43 127.81 33.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 74.319999999999993 110.277 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 642' ' ' THR . . . . . 0.588 HG21 HD12 ' A' ' 647' ' ' ILE . 0.2 OUTLIER -136.42 160.31 67.27 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.113 . . . . 63.409999999999997 110.379 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 1.96 7.14 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.46 1.768 . . . . 73.400000000000006 110.977 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -108.96 -9.09 15.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 71.340000000000003 110.313 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 127.18 134.53 3.98 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.521 1.138 . . . . 72.030000000000001 110.945 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 646' ' ' ARG . . . . . 0.75 ' HD2' HD21 ' A' ' 639' ' ' LEU . 66.0 mtm180 -46.11 152.32 0.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 0.755 . . . . 71.209999999999994 110.258 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 647' ' ' ILE . . . . . 0.588 HD12 HG21 ' A' ' 642' ' ' THR . 35.5 mt -139.76 134.61 38.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 73.420000000000002 109.275 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 648' ' ' GLN . . . . . 0.455 ' NE2' ' HA ' ' A' ' 636' ' ' ARG . 1.6 tm0? -133.92 110.11 9.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.134 . . . . 72.409999999999997 110.317 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 649' ' ' ALA . . . . . 0.478 ' CB ' ' HB2' ' A' ' 654' ' ' ARG . . . -101.21 -178.39 3.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 42.409999999999997 109.293 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 39.1 mttt -114.14 -13.31 12.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 74.439999999999998 109.261 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 651' ' ' LYS . . . . . 0.991 ' C ' HG11 ' A' ' 635' ' ' VAL . 13.7 mmmt -144.24 160.16 41.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 73.099999999999994 109.316 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 652' ' ' TRP . . . . . 0.7 ' HA ' HG23 ' A' ' 655' ' ' VAL . 69.0 m95 -74.52 -6.06 46.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 64.430000000000007 107.993 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 1.9 t -72.13 -18.37 61.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 74.439999999999998 109.972 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 654' ' ' ARG . . . . . 0.478 ' HB2' ' CB ' ' A' ' 649' ' ' ALA . 6.0 mmm-85 -100.58 -17.67 16.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 72.299999999999997 110.298 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 655' ' ' VAL . . . . . 0.744 HG13 ' CD1' ' A' ' 657' ' ' PHE . 2.9 t -40.17 118.74 1.43 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 75.209999999999994 109.339 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 656' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -42.62 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.532 1.806 . . . . 62.130000000000003 111.015 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 657' ' ' PHE . . . . . 0.795 ' CE2' HG22 ' A' ' 659' ' ' VAL . 50.5 p90 -72.71 160.39 32.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 73.129999999999995 111.003 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 658' ' ' SER . . . . . 0.443 ' O ' ' CG1' ' A' ' 549' ' ' VAL . 42.2 m -88.68 149.54 23.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 74.530000000000001 110.026 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 659' ' ' VAL . . . . . 0.833 HG13 HD13 ' A' ' 569' ' ' LEU . 2.2 t -133.97 95.48 17.07 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 43.200000000000003 109.283 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 660' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 148.82 35.69 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.512 1.796 . . . . 71.239999999999995 110.981 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 661' ' ' ASP . . . . . 0.414 ' HA ' ' O ' ' A' ' 571' ' ' LYS . 58.3 p30 -54.67 166.6 0.45 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 75.099999999999994 109.295 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 662' ' ' PHE . . . . . 0.44 ' N ' ' O ' ' A' ' 571' ' ' LYS . 47.9 t80 -77.65 111.86 13.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 74.299999999999997 110.984 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 663' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -69.25 93.52 0.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 71.450000000000003 109.292 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 664' ' ' PHE . . . . . 0.569 ' CE1' ' SG ' ' A' ' 668' ' ' CYS . 31.4 t80 -65.7 -37.36 86.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 71.540000000000006 110.989 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 85.7 mt -60.57 -56.75 17.55 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.123 . . . . 73.129999999999995 109.299 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 666' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 669' ' ' ALA . 13.3 tt0 -59.99 -60.13 4.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 72.409999999999997 110.292 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 667' ' ' HIS . . . . . 0.586 ' CE1' HG11 ' A' ' 580' ' ' VAL . 3.8 t60 -45.96 -37.09 6.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 72.450000000000003 109.58 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 668' ' ' CYS . . . . . 0.569 ' SG ' ' CE1' ' A' ' 664' ' ' PHE . 5.9 m -67.95 -42.74 80.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.135 . . . . 52.439999999999998 108.259 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 669' ' ' ALA . . . . . 0.465 ' HB1' HD23 ' A' ' 675' ' ' LEU . . . -70.02 -11.43 60.87 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.487 1.117 . . . . 42.240000000000002 109.303 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 670' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -86.22 -33.32 20.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 73.400000000000006 110.272 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 671' ' ' ASN . . . . . 0.432 ' N ' HD22 ' A' ' 671' ' ' ASN . 2.1 m-80 -95.25 -61.03 1.55 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 73.209999999999994 109.264 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 672' ' ' LEU . . . . . 0.425 ' N ' HD23 ' A' ' 672' ' ' LEU . 3.1 mt -42.28 -57.89 2.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.095 . . . . 73.109999999999999 109.303 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 1.3 m 65.55 21.58 11.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 54.539999999999999 109.985 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -72.33 -15.36 61.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 71.420000000000002 109.295 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 675' ' ' LEU . . . . . 0.58 ' H ' HD22 ' A' ' 675' ' ' LEU . 1.0 OUTLIER -76.31 -61.71 1.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 74.200000000000003 109.279 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 676' ' ' SER . . . . . . . . . . . . . 4.6 p -173.16 150.52 1.95 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 71.420000000000002 109.986 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 677' ' ' LEU . . . . . 0.623 HD12 ' N ' ' A' ' 677' ' ' LEU . 1.7 mp -86.61 -51.94 5.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 74.540000000000006 109.296 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 2.8 t70 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 74.530000000000001 109.32 179.984 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 679' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.954 -0.859 . . . . 53.119999999999997 110.954 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -27.72 9.76 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.506 1.793 . . . . 71.150000000000006 110.999 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -124.22 121.52 35.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 75.450000000000003 109.602 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 545' ' ' MET . . . . . . . . . . . . . 5.5 mtt -85.14 98.87 10.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 72.129999999999995 110.997 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 546' ' ' GLN . . . . . 0.595 ' C ' ' CD1' ' A' ' 547' ' ' PHE . 3.6 pt20 -120.38 155.35 33.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.435 1.085 . . . . 75.5 110.329 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 547' ' ' PHE . . . . . 0.647 ' N ' ' CD1' ' A' ' 547' ' ' PHE . 0.1 OUTLIER -153.16 98.21 2.77 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 74.400000000000006 111.03 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 548' ' ' PRO . . . . . 0.597 ' O ' HG23 ' A' ' 552' ' ' VAL . 18.1 Cg_endo -75.0 138.02 22.46 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.492 1.785 . . . . 65.219999999999999 111.024 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 549' ' ' VAL . . . . . 0.704 HG12 ' HB2' ' A' ' 657' ' ' PHE . 17.9 m -52.92 -32.26 17.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 73.340000000000003 109.258 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 550' ' ' GLU . . . . . 0.451 ' OE2' ' NE2' ' A' ' 551' ' ' HIS . 2.6 pt-20 -66.22 -30.27 70.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 74.219999999999999 110.303 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 551' ' ' HIS . . . . . 0.51 ' CG ' ' HG2' ' A' ' 548' ' ' PRO . 23.9 m170 -96.46 -8.92 30.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 75.5 109.556 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 552' ' ' VAL . . . . . 0.653 ' CG1' HD12 ' A' ' 640' ' ' LEU . 86.8 t -103.13 130.12 53.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 74.230000000000004 109.261 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 553' ' ' GLN . . . . . 0.762 ' HB3' HD11 ' A' ' 555' ' ' LEU . 10.1 tt0 -119.37 162.33 18.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 71.430000000000007 110.311 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 554' ' ' LEU . . . . . 0.84 HD11 HD23 ' A' ' 569' ' ' LEU . 1.3 mt -96.43 108.48 21.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 74.109999999999999 109.277 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 555' ' ' LEU . . . . . 0.799 HD12 ' N ' ' A' ' 555' ' ' LEU . 0.4 OUTLIER -120.8 172.03 8.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.571 1.169 . . . . 54.32 109.349 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 556' ' ' CYS . . . . . 0.562 ' O ' ' N ' ' A' ' 560' ' ' MET . 3.5 t -107.96 109.29 20.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.02 -0.991 . . . . 61.109999999999999 110.958 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 557' ' ' ILE . . . . . 0.694 HD13 ' O ' ' A' ' 636' ' ' ARG . 0.9 OUTLIER -36.05 -32.23 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.1 . . . . 71.430000000000007 109.293 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 558' ' ' ASN . . . . . 0.509 ' N ' ' O ' ' A' ' 556' ' ' CYS . 2.7 m120 -86.23 -67.05 0.84 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 74.409999999999997 109.311 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 559' ' ' CYS . . . . . 0.471 ' O ' ' HB2' ' A' ' 560' ' ' MET . 3.7 m -62.42 -64.53 0.9 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 64.209999999999994 108.306 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 560' ' ' MET . . . . . 0.562 ' N ' ' O ' ' A' ' 556' ' ' CYS . 11.6 mtm 68.24 39.94 2.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 64.549999999999997 110.994 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 561' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 561' ' ' VAL . 0.9 OUTLIER -117.81 11.87 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 75.430000000000007 109.301 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 562' ' ' ALA . . . . . 0.403 ' HA ' ' O ' ' A' ' 554' ' ' LEU . . . 66.17 112.44 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 75.019999999999996 109.284 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 563' ' ' VAL . . . . . 0.662 HG12 ' CD1' ' A' ' 587' ' ' TYR . 1.0 OUTLIER -106.96 -8.21 10.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 54.450000000000003 109.307 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -170.26 -148.71 6.04 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.501 1.125 . . . . 62.229999999999997 111.002 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 565' ' ' HIS . . . . . . . . . . . . . 18.9 m-70 -138.84 150.17 45.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 0.794 . . . . 50.530000000000001 109.613 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 566' ' ' GLY . . . . . 0.657 ' O ' HD11 ' A' ' 569' ' ' LEU . . . -80.49 -12.89 82.48 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.534 1.146 . . . . 64.219999999999999 111.008 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 567' ' ' SER . . . . . 0.585 ' OG ' HG23 ' A' ' 549' ' ' VAL . 9.2 t -101.96 2.22 37.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 0.751 . . . . 35.299999999999997 110.001 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -106.17 -24.47 12.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 71.430000000000007 109.294 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 569' ' ' LEU . . . . . 0.84 HD23 HD11 ' A' ' 554' ' ' LEU . 0.2 OUTLIER -74.18 149.89 40.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 74.409999999999997 109.329 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 570' ' ' ARG . . . . . 0.723 ' HA ' HG23 ' A' ' 659' ' ' VAL . 15.2 mmm-85 -137.53 144.93 42.38 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 73.209999999999994 110.281 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 571' ' ' LYS . . . . . 0.554 ' HD3' ' CE1' ' A' ' 577' ' ' HIS . 18.5 ttpt -79.66 158.75 26.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 71.230000000000004 109.336 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 572' ' ' VAL . . . . . 0.466 HG23 ' CG2' ' A' ' 578' ' ' VAL . 2.6 t -112.09 107.75 23.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 72.129999999999995 109.307 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 573' ' ' GLU . . . . . 0.45 ' HG2' HG12 ' A' ' 572' ' ' VAL . 7.4 pt-20 41.36 36.79 0.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 75.120000000000005 110.264 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 574' ' ' GLY . . . . . 0.463 ' HA2' ' CD ' ' A' ' 571' ' ' LYS . . . 49.86 49.4 35.27 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.506 1.129 . . . . 72.109999999999999 110.989 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 575' ' ' THR . . . . . 0.414 HG22 ' CG ' ' A' ' 576' ' ' HIS . 1.2 m -125.27 -64.67 1.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 0.768 . . . . 74.25 110.364 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 576' ' ' HIS . . . . . 0.414 ' CG ' HG22 ' A' ' 575' ' ' THR . 13.2 m-70 -127.13 150.71 49.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.138 . . . . 74.310000000000002 109.626 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 577' ' ' HIS . . . . . 0.796 ' CD2' ' CE3' ' A' ' 652' ' ' TRP . 9.9 m80 -88.0 130.23 35.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 71.420000000000002 109.573 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 578' ' ' VAL . . . . . 0.843 HG12 HG22 ' A' ' 632' ' ' VAL . 22.3 m -137.46 108.62 5.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 73.230000000000004 109.29 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 579' ' ' ASN . . . . . 0.449 ' HB3' ' CD2' ' A' ' 633' ' ' LEU . 1.5 t-20 -79.86 110.07 14.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 71.219999999999999 109.331 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 580' ' ' VAL . . . . . 0.934 HG11 ' CE1' ' A' ' 667' ' ' HIS . 3.3 t -81.51 151.43 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 75.230000000000004 109.315 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 581' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 580' ' ' VAL . 0.3 OUTLIER 161.82 126.67 0.01 OUTLIER Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 62.140000000000001 109.282 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 582' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -24.61 12.74 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.545 1.813 . . . . 74.519999999999996 111.034 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 583' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -81.86 -4.45 56.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 73.030000000000001 109.293 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 584' ' ' PHE . . . . . 0.553 ' O ' ' CD2' ' A' ' 588' ' ' TYR . 2.3 t80 -72.46 -32.86 66.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 72.140000000000001 111.012 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 585' ' ' SER . . . . . 0.482 ' HA ' ' CE2' ' A' ' 588' ' ' TYR . 9.1 t -57.01 -25.15 58.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.157 . . . . 75.409999999999997 110.013 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -87.83 -18.0 30.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 70.310000000000002 109.262 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 587' ' ' TYR . . . . . 0.662 ' CD1' HG12 ' A' ' 563' ' ' VAL . 6.5 m-85 -92.5 2.08 56.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 72.040000000000006 110.993 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 588' ' ' TYR . . . . . 0.75 ' HE1' HG23 ' A' ' 590' ' ' VAL . 1.6 p90 -161.29 161.1 30.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 61.229999999999997 111.051 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 589' ' ' ASN . . . . . 0.402 ' ND2' ' HB2' ' A' ' 613' ' ' ARG . 37.4 m-80 -128.74 126.2 39.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 74.120000000000005 109.311 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 590' ' ' VAL . . . . . 0.75 HG23 ' HE1' ' A' ' 588' ' ' TYR . 7.9 t -73.16 141.49 16.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 51.210000000000001 109.28 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 591' ' ' SER . . . . . 0.414 ' O ' HG12 ' A' ' 590' ' ' VAL . 7.7 p -62.89 173.84 1.24 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 73.109999999999999 110.006 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 60.5 ttt180 -81.83 -42.08 20.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 74.430000000000007 110.345 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -47.78 151.47 1.56 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 64.25 109.294 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -89.56 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.434 1.755 . . . . 64.030000000000001 111.001 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 79.7 t -105.57 127.76 60.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 64.430000000000007 109.338 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 596' ' ' VAL . . . . . . . . . . . . . 2.2 t -135.26 78.17 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.469 1.105 . . . . 74.540000000000006 109.357 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 597' ' ' ILE . . . . . 0.471 ' CG2' ' N ' ' A' ' 598' ' ' ASN . 2.5 mt -144.01 162.16 15.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 74.0 109.268 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 598' ' ' ASN . . . . . 0.471 ' N ' ' CG2' ' A' ' 597' ' ' ILE . 33.5 t30 -71.41 -52.0 20.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 75.109999999999999 109.267 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 599' ' ' LYS . . . . . 0.552 ' HE3' ' CE2' ' A' ' 601' ' ' PHE . 0.0 OUTLIER -135.24 133.58 39.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 51.420000000000002 109.278 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 600' ' ' VAL . . . . . 0.491 HG13 ' HD3' ' A' ' 606' ' ' PRO . 11.7 t -86.98 151.05 3.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.135 . . . . 65.140000000000001 109.266 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 601' ' ' PHE . . . . . 0.552 ' CE2' ' HE3' ' A' ' 599' ' ' LYS . 10.5 m-85 -120.66 168.12 11.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.432 1.083 . . . . 75.019999999999996 110.974 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 602' ' ' LYS . . . . . 0.407 ' C ' ' N ' ' A' ' 604' ' ' TRP . 28.0 tptp -100.67 -56.02 2.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 72.319999999999993 109.263 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 603' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 602' ' ' LYS . 14.9 m-20 -40.36 -32.54 0.19 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 71.219999999999999 109.292 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 604' ' ' TRP . . . . . 0.601 ' CH2' ' SD ' ' A' ' 623' ' ' MET . 0.2 OUTLIER -157.18 124.6 5.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 71.150000000000006 108.003 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 605' ' ' LYS . . . . . . . . . . . . . 22.8 pttt -86.39 163.21 43.09 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 64.209999999999994 109.329 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 606' ' ' PRO . . . . . 0.491 ' HD3' HG13 ' A' ' 600' ' ' VAL . 18.1 Cg_endo -74.99 -166.49 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.466 1.772 . . . . 71.439999999999998 111.003 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 607' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 622' ' ' GLN . . . -152.97 -101.5 0.21 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.524 1.14 . . . . 51.119999999999997 111.027 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 608' ' ' GLY . . . . . 0.66 ' HA3' HG13 ' A' ' 590' ' ' VAL . . . -151.05 152.15 24.01 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 110.999 -0.84 . . . . 74.25 110.999 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 13.4 t -56.53 128.3 16.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.536 0.786 . . . . 74.519999999999996 109.291 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 610' ' ' ILE . . . . . 0.53 HG23 ' CD1' ' A' ' 588' ' ' TYR . 0.6 OUTLIER -91.25 149.54 4.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 52.219999999999999 109.301 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -153.87 114.81 4.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.169 . . . . 75.0 110.028 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 612' ' ' CYS . . . . . 0.439 ' HB2' ' CE2' ' A' ' 619' ' ' TRP . 19.2 t -48.23 122.36 5.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 72.239999999999995 108.288 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 613' ' ' ARG . . . . . 0.402 ' HB2' ' ND2' ' A' ' 589' ' ' ASN . 6.7 ttt180 -69.92 -27.42 64.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 71.420000000000002 110.292 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 614' ' ' ASN . . . . . 0.411 ' ND2' HG22 ' A' ' 561' ' ' VAL . 98.0 m-20 -66.84 -38.87 87.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 64.340000000000003 109.28 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 615' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -122.94 -76.89 0.59 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 54.310000000000002 108.338 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 616' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 147.69 -17.72 1.44 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.528 1.143 . . . . 75.519999999999996 110.976 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -42.9 102.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 0.756 . . . . 75.510000000000005 110.3 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 23.9 t -50.63 118.97 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 50.240000000000002 109.3 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 619' ' ' TRP . . . . . 0.792 ' CE2' ' HE3' ' A' ' 638' ' ' MET . 41.7 m0 -83.76 -22.56 31.87 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.014 -1.106 . . . . 74.329999999999998 108.014 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 620' ' ' GLY . . . . . . . . . . . . . . . 145.89 -116.44 0.89 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.513 1.133 . . . . 34.5 111.001 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 621' ' ' LEU . . . . . 0.659 HD22 ' C ' ' A' ' 621' ' ' LEU . 0.0 OUTLIER -145.66 161.58 39.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 0.747 . . . . 73.109999999999999 109.279 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 622' ' ' GLN . . . . . 0.572 ' N ' HD22 ' A' ' 621' ' ' LEU . 1.2 tt0 -93.96 136.82 33.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 75.140000000000001 110.28 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 623' ' ' MET . . . . . 0.601 ' SD ' ' CH2' ' A' ' 604' ' ' TRP . 13.9 mtp -119.43 136.55 54.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 74.120000000000005 111.008 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 624' ' ' ILE . . . . . 0.484 ' CD1' ' O ' ' A' ' 606' ' ' PRO . 4.6 mp -110.08 132.97 56.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 75.299999999999997 109.292 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 625' ' ' TYR . . . . . 0.566 ' C ' ' CD1' ' A' ' 625' ' ' TYR . 0.2 OUTLIER -137.74 117.11 12.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.128 . . . . 55.140000000000001 111.024 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 626' ' ' LYS . . . . . 0.505 ' O ' ' CB ' ' A' ' 627' ' ' SER . 0.8 OUTLIER 56.22 22.65 6.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 65.319999999999993 109.31 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 627' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.2 p 85.88 42.04 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 51.509999999999998 110.038 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 628' ' ' VAL . . . . . 0.772 HG12 ' HG ' ' A' ' 630' ' ' LEU . 53.9 t -127.68 112.53 28.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 64.219999999999999 109.278 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 629' ' ' LYS . . . . . 0.486 ' CE ' ' OE1' ' A' ' 622' ' ' GLN . 6.5 mmmm -75.7 100.54 4.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 70.010000000000005 109.303 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 630' ' ' LEU . . . . . 0.841 HD22 HG22 ' A' ' 580' ' ' VAL . 30.8 mt -119.01 111.69 36.94 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 64.299999999999997 109.343 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 631' ' ' PRO . . . . . 0.772 ' HB2' HD11 ' A' ' 633' ' ' LEU . 18.1 Cg_endo -75.04 136.92 20.96 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.536 1.809 . . . . 75.129999999999995 110.964 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 632' ' ' VAL . . . . . 0.843 HG22 HG12 ' A' ' 578' ' ' VAL . 5.1 t -102.13 99.0 7.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.133 . . . . 73.329999999999998 109.287 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 633' ' ' LEU . . . . . 0.857 ' N ' HD13 ' A' ' 633' ' ' LEU . 0.0 OUTLIER -102.51 171.77 7.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 73.120000000000005 109.34 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 634' ' ' LYS . . . . . 0.452 ' CD ' ' O ' ' A' ' 619' ' ' TRP . 0.0 OUTLIER -105.56 -165.34 1.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 72.019999999999996 109.301 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 635' ' ' VAL . . . . . 0.73 HG13 ' CE2' ' A' ' 652' ' ' TRP . 0.0 OUTLIER -112.0 -30.47 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 70.120000000000005 109.307 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 636' ' ' ARG . . . . . 0.694 ' O ' HD13 ' A' ' 557' ' ' ILE . 8.9 ptm180 -74.06 -3.2 27.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 71.230000000000004 110.314 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 4.8 p -114.5 -11.43 12.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 62.219999999999999 109.981 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 638' ' ' MET . . . . . 0.792 ' HE3' ' CE2' ' A' ' 619' ' ' TRP . 29.0 mmt -112.5 133.7 54.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 74.099999999999994 111.008 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 639' ' ' LEU . . . . . 0.798 HD21 ' HB3' ' A' ' 646' ' ' ARG . 0.9 OUTLIER -110.3 111.97 23.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 72.219999999999999 109.281 -179.938 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 640' ' ' LEU . . . . . 0.658 HD11 ' CE1' ' A' ' 657' ' ' PHE . 2.0 mm? -79.89 112.24 16.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 74.030000000000001 109.277 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . 0.545 ' HG3' HD22 ' A' ' 555' ' ' LEU . 2.5 mt-10 -74.45 135.66 42.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 63.340000000000003 110.304 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 642' ' ' THR . . . . . 0.864 HG21 HD12 ' A' ' 647' ' ' ILE . 7.6 p -141.51 158.65 62.89 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 54.119999999999997 110.387 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -18.31 18.87 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.482 1.78 . . . . 72.0 111.019 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -88.7 -7.89 55.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 72.140000000000001 110.291 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 126.11 135.67 4.3 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.492 1.12 . . . . 45.32 111.003 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 646' ' ' ARG . . . . . 0.798 ' HB3' HD21 ' A' ' 639' ' ' LEU . 15.5 mtm-85 -43.95 152.64 0.16 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 0.765 . . . . 74.409999999999997 110.268 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 647' ' ' ILE . . . . . 0.864 HD12 HG21 ' A' ' 642' ' ' THR . 27.5 mt -135.43 139.36 46.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 73.140000000000001 109.318 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 648' ' ' GLN . . . . . 0.424 ' NE2' ' HA ' ' A' ' 636' ' ' ARG . 0.3 OUTLIER -133.52 109.68 9.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 63.409999999999997 110.29 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 649' ' ' ALA . . . . . . . . . . . . . . . -119.68 169.5 10.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 74.109999999999999 109.324 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 650' ' ' LYS . . . . . 0.543 ' C ' HG23 ' A' ' 635' ' ' VAL . 2.2 mtmt -116.62 -4.86 11.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 72.219999999999999 109.325 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 651' ' ' LYS . . . . . 0.405 ' HD3' ' N ' ' A' ' 651' ' ' LYS . 0.0 OUTLIER -128.74 133.35 48.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 62.43 109.295 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 652' ' ' TRP . . . . . 0.796 ' CE3' ' CD2' ' A' ' 577' ' ' HIS . 69.5 m95 -65.02 -13.79 58.79 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.99 -1.115 . . . . 74.140000000000001 107.99 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 10.8 t -69.21 -13.82 62.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 63.350000000000001 110.005 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 654' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 655' ' ' VAL . 4.5 mmm180 -102.95 -22.79 13.77 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.506 1.129 . . . . 65.219999999999999 110.275 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 655' ' ' VAL . . . . . 0.78 HG13 ' CD1' ' A' ' 657' ' ' PHE . 2.2 t -39.94 130.62 1.54 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 72.329999999999998 109.319 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 656' ' ' PRO . . . . . 0.471 ' HB2' ' CG ' ' A' ' 547' ' ' PHE . 18.3 Cg_endo -75.01 -52.27 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.507 1.793 . . . . 61.049999999999997 111.005 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 657' ' ' PHE . . . . . 0.78 ' CD1' HG13 ' A' ' 655' ' ' VAL . 41.1 p90 -65.26 172.25 3.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 75.299999999999997 110.981 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 1.4 m -119.49 149.96 41.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.437 1.086 . . . . 65.340000000000003 110.056 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 659' ' ' VAL . . . . . 0.723 HG23 ' HA ' ' A' ' 570' ' ' ARG . 0.1 OUTLIER -149.77 107.12 3.26 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 41.420000000000002 109.295 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 660' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 167.63 26.63 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.507 1.793 . . . . 63.109999999999999 111.042 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -60.5 160.26 9.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 64.549999999999997 109.306 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 662' ' ' PHE . . . . . 0.659 ' CZ ' ' CG ' ' A' ' 667' ' ' HIS . 37.5 t80 -60.54 153.23 23.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 74.019999999999996 111.003 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 663' ' ' ASP . . . . . 0.428 ' OD1' ' NH2' ' A' ' 570' ' ' ARG . 11.9 p-10 -134.83 71.49 1.44 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 70.349999999999994 109.313 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 664' ' ' PHE . . . . . 0.494 ' O ' ' CB ' ' A' ' 668' ' ' CYS . 82.1 t80 -39.61 -28.75 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 74.299999999999997 111.013 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 665' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 663' ' ' ASP . 7.7 mt -58.66 -50.48 73.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 73.129999999999995 109.281 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 666' ' ' GLN . . . . . 0.428 ' O ' ' N ' ' A' ' 670' ' ' GLU . 19.0 tt0 -85.23 -48.27 9.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 65.219999999999999 110.292 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 667' ' ' HIS . . . . . 0.934 ' CE1' HG11 ' A' ' 580' ' ' VAL . 9.0 t-80 -50.05 -42.59 50.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 72.549999999999997 109.616 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 668' ' ' CYS . . . . . 0.494 ' CB ' ' O ' ' A' ' 664' ' ' PHE . 47.8 t -68.67 -47.18 67.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 72.25 108.332 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -65.66 -11.52 45.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 55.210000000000001 109.313 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 670' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 666' ' ' GLN . 7.0 mt-10 -115.72 -1.74 12.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 72.140000000000001 110.254 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 671' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 667' ' ' HIS . 1.1 m-80 -110.26 -19.84 12.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 72.340000000000003 109.333 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 14.9 mt -93.16 -179.35 5.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 65.219999999999999 109.28 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 673' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 674' ' ' ASP . 1.1 m -94.17 -3.29 51.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 64.200000000000003 109.999 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 674' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 673' ' ' SER . 33.3 t0 -40.37 -33.72 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 72.310000000000002 109.275 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 675' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.69 -78.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 61.130000000000003 109.29 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 676' ' ' SER . . . . . . . . . . . . . 18.8 m -159.22 154.59 25.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.117 . . . . 74.400000000000006 109.995 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 677' ' ' LEU . . . . . 0.6 HD12 ' N ' ' A' ' 677' ' ' LEU . 2.0 mp -85.46 -66.19 0.93 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 71.150000000000006 109.314 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 8.7 t0 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 72.530000000000001 109.319 -179.979 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 679' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.946 0 N-CA-C 111.01 -0.836 . . . . 54.43 111.01 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -175.68 2.48 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.416 1.745 . . . . 55.420000000000002 111.008 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -107.09 15.65 25.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 65.109999999999999 109.614 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 545' ' ' MET . . . . . . . . . . . . . 63.5 mtp 42.52 46.08 4.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 74.420000000000002 111.001 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 546' ' ' GLN . . . . . 0.437 ' O ' ' NE2' ' A' ' 644' ' ' GLN . 3.2 pt20 -110.92 142.68 42.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 65.030000000000001 110.275 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -149.73 101.73 3.25 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 64.329999999999998 111.003 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 548' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 141.65 26.92 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.479 1.778 . . . . 53.100000000000001 111.001 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 549' ' ' VAL . . . . . 0.596 HG11 ' O ' ' A' ' 658' ' ' SER . 35.3 m -50.02 -45.68 23.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 75.420000000000002 109.287 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -53.97 -30.25 46.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 51.5 110.272 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 13.0 m170 -88.69 -26.89 21.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 64.540000000000006 109.557 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 552' ' ' VAL . . . . . 0.759 HG21 ' HB3' ' A' ' 657' ' ' PHE . 55.7 t -84.26 124.62 39.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 64.329999999999998 109.262 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 553' ' ' GLN . . . . . 0.515 ' OE1' ' CE1' ' A' ' 565' ' ' HIS . 7.7 tt0 -112.51 149.59 32.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 73.510000000000005 110.327 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 554' ' ' LEU . . . . . 1.021 HD11 HD23 ' A' ' 569' ' ' LEU . 1.4 mt -93.28 113.63 25.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 74.439999999999998 109.289 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 555' ' ' LEU . . . . . 0.808 HD11 ' HB2' ' A' ' 641' ' ' GLU . 0.2 OUTLIER -134.54 -179.92 5.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 65.349999999999994 109.33 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 556' ' ' CYS . . . . . 0.548 ' O ' ' N ' ' A' ' 560' ' ' MET . 5.1 t -107.53 102.33 11.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 114.994 -1.003 . . . . 65.450000000000003 110.912 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 557' ' ' ILE . . . . . 0.736 HD13 ' O ' ' A' ' 636' ' ' ARG . 1.2 pt -34.71 -34.46 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 74.150000000000006 109.311 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 558' ' ' ASN . . . . . 0.506 ' N ' ' O ' ' A' ' 556' ' ' CYS . 3.0 m120 -73.86 -62.31 1.54 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 63.229999999999997 109.28 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 559' ' ' CYS . . . . . 0.476 ' O ' ' HB2' ' A' ' 560' ' ' MET . 1.3 m -80.02 -68.33 0.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 62.109999999999999 108.308 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 560' ' ' MET . . . . . 0.548 ' N ' ' O ' ' A' ' 556' ' ' CYS . 23.2 mtm 78.07 47.94 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 73.239999999999995 111.009 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 561' ' ' VAL . . . . . 0.672 ' O ' ' HB3' ' A' ' 562' ' ' ALA . 0.9 OUTLIER -108.86 -2.86 10.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 73.25 109.309 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 562' ' ' ALA . . . . . 0.672 ' HB3' ' O ' ' A' ' 561' ' ' VAL . . . 83.49 99.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 73.120000000000005 109.288 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 563' ' ' VAL . . . . . 0.658 HG12 ' CD1' ' A' ' 587' ' ' TYR . 2.6 m -97.41 -5.35 9.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 72.450000000000003 109.349 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . 178.84 -160.91 26.94 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.522 1.139 . . . . 63.420000000000002 110.995 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 565' ' ' HIS . . . . . 0.515 ' CE1' ' OE1' ' A' ' 553' ' ' GLN . 14.8 m-70 -125.72 147.73 49.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 0.782 . . . . 74.299999999999997 109.611 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 566' ' ' GLY . . . . . 0.61 ' O ' HD11 ' A' ' 569' ' ' LEU . . . -71.51 -13.09 74.1 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.556 1.16 . . . . 63.219999999999999 110.999 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 20.3 p -104.73 8.36 34.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 0.783 . . . . 65.409999999999997 110.0 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -110.17 -13.64 14.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 74.120000000000005 109.303 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 569' ' ' LEU . . . . . 1.021 HD23 HD11 ' A' ' 554' ' ' LEU . 0.2 OUTLIER -88.19 150.91 23.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 61.420000000000002 109.264 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 570' ' ' ARG . . . . . 0.687 ' HA ' HG23 ' A' ' 659' ' ' VAL . 1.5 mpt_? -123.83 -175.1 3.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 70.319999999999993 110.294 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 571' ' ' LYS . . . . . 0.593 ' HB2' HG22 ' A' ' 659' ' ' VAL . 12.4 ttmt -124.34 158.1 33.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 62.520000000000003 109.267 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 572' ' ' VAL . . . . . 0.47 HG12 ' HG2' ' A' ' 573' ' ' GLU . 2.8 t -130.47 104.36 9.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.128 . . . . 71.010000000000005 109.321 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 573' ' ' GLU . . . . . 0.47 ' HG2' HG12 ' A' ' 572' ' ' VAL . 24.4 pt-20 41.35 35.59 0.44 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 52.399999999999999 110.328 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 41.29 47.43 4.49 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.509 1.13 . . . . 75.409999999999997 111.013 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 575' ' ' THR . . . . . 0.433 ' O ' ' CG ' ' A' ' 576' ' ' HIS . 2.1 m -111.69 -44.36 3.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 0.787 . . . . 63.420000000000002 110.405 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 576' ' ' HIS . . . . . 0.468 ' O ' HG13 ' A' ' 578' ' ' VAL . 29.8 m80 -159.22 121.09 3.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 74.209999999999994 109.606 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 577' ' ' HIS . . . . . 0.753 ' CD2' ' CE3' ' A' ' 652' ' ' TRP . 6.6 m80 -58.48 142.7 48.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 75.140000000000001 109.623 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 578' ' ' VAL . . . . . 0.709 HG12 HG22 ' A' ' 632' ' ' VAL . 23.7 m -143.83 108.6 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 62.039999999999999 109.315 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 579' ' ' ASN . . . . . 0.589 ' OD1' ' CE1' ' A' ' 584' ' ' PHE . 1.5 t-20 -80.38 109.07 14.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 73.230000000000004 109.284 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 580' ' ' VAL . . . . . 0.831 HG22 HD22 ' A' ' 630' ' ' LEU . 2.3 t -82.28 149.03 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 70.420000000000002 109.295 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 581' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 580' ' ' VAL . 0.3 OUTLIER 161.94 135.19 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 65.030000000000001 109.308 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 582' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -43.53 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.487 1.782 . . . . 70.219999999999999 110.966 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 583' ' ' ASN . . . . . 0.406 ' OD1' ' N ' ' A' ' 583' ' ' ASN . 0.8 OUTLIER -60.98 -15.31 30.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 75.340000000000003 109.326 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 584' ' ' PHE . . . . . 0.589 ' CE1' ' OD1' ' A' ' 579' ' ' ASN . 1.9 t80 -63.45 -34.55 78.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 73.430000000000007 111.021 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 585' ' ' SER . . . . . 0.459 ' HA ' ' CE2' ' A' ' 588' ' ' TYR . 13.7 p -57.7 -25.75 60.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 61.130000000000003 109.999 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 -87.62 -16.86 33.27 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 73.319999999999993 109.265 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 587' ' ' TYR . . . . . 0.658 ' CD1' HG12 ' A' ' 563' ' ' VAL . 5.4 m-85 -92.72 -3.06 55.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 75.439999999999998 110.994 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 588' ' ' TYR . . . . . 0.742 ' HE1' HG23 ' A' ' 590' ' ' VAL . 1.7 p90 -155.78 160.13 40.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 73.319999999999993 111.022 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 589' ' ' ASN . . . . . 0.411 ' ND2' ' HB2' ' A' ' 613' ' ' ARG . 29.9 m-80 -128.97 124.28 34.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 74.219999999999999 109.3 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 590' ' ' VAL . . . . . 0.742 HG23 ' HE1' ' A' ' 588' ' ' TYR . 12.6 t -73.58 134.38 29.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 72.150000000000006 109.278 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 30.8 t -59.04 174.41 0.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 63.210000000000001 110.006 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 32.5 mtm-85 -76.07 -56.51 4.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 53.509999999999998 110.299 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.65 146.11 0.48 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.122 . . . . 54.100000000000001 109.318 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -89.61 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.531 1.806 . . . . 75.439999999999998 110.985 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 595' ' ' VAL . . . . . 0.476 HG13 ' HG2' ' A' ' 606' ' ' PRO . 41.0 t -102.38 125.58 56.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 54.240000000000002 109.331 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 596' ' ' VAL . . . . . . . . . . . . . 2.2 t -135.01 78.36 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 74.340000000000003 109.292 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 597' ' ' ILE . . . . . . . . . . . . . 2.5 mt -143.65 148.36 19.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 75.109999999999999 109.351 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 598' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -50.16 -55.48 14.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 72.200000000000003 109.307 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.14 140.21 35.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 73.040000000000006 109.344 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 600' ' ' VAL . . . . . 0.631 HG13 ' HD3' ' A' ' 606' ' ' PRO . 16.4 t -83.83 144.14 10.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.151 . . . . 73.400000000000006 109.318 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 601' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -104.16 168.1 9.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 73.319999999999993 110.992 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -96.49 -54.69 3.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 51.439999999999998 109.32 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -40.07 -36.73 0.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 54.509999999999998 109.302 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 604' ' ' TRP . . . . . 0.482 ' CE3' ' HB3' ' A' ' 623' ' ' MET . 0.3 OUTLIER -157.14 156.14 32.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 74.430000000000007 108.057 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 605' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.93 162.84 19.86 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 70.200000000000003 109.281 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 606' ' ' PRO . . . . . 0.631 ' HD3' HG13 ' A' ' 600' ' ' VAL . 18.4 Cg_endo -74.98 -178.22 4.01 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.454 1.765 . . . . 71.219999999999999 111.019 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 607' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 622' ' ' GLN . . . -142.24 -86.11 0.09 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.461 1.101 . . . . 73.109999999999999 111.018 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 608' ' ' GLY . . . . . 0.694 ' HA3' HG13 ' A' ' 590' ' ' VAL . . . -160.06 144.83 10.46 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.972 -0.851 . . . . 40.350000000000001 110.972 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 21.4 t -52.51 128.18 11.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.494 0.761 . . . . 64.5 109.327 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 610' ' ' ILE . . . . . 0.611 HD11 ' HA ' ' A' ' 622' ' ' GLN . 0.7 OUTLIER -95.73 144.49 10.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.141 . . . . 73.0 109.314 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 611' ' ' SER . . . . . 0.405 ' O ' ' HA ' ' A' ' 588' ' ' TYR . 0.1 OUTLIER -141.77 123.99 15.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 72.540000000000006 109.961 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 612' ' ' CYS . . . . . 0.463 ' O ' ' N ' ' A' ' 616' ' ' GLY . 28.2 t -56.25 109.25 0.57 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 65.120000000000005 108.312 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 613' ' ' ARG . . . . . 0.411 ' HB2' ' ND2' ' A' ' 589' ' ' ASN . 9.3 ttt180 -64.93 -32.6 74.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 74.409999999999997 110.288 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 614' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -57.79 -47.68 81.86 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 73.120000000000005 109.268 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 615' ' ' CYS . . . . . 0.456 ' SG ' ' N ' ' A' ' 559' ' ' CYS . 1.9 m -118.37 -73.46 0.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 72.310000000000002 108.281 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 616' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 154.49 -20.86 0.62 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.483 1.114 . . . . 64.25 111.042 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -42.17 102.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 0.775 . . . . 64.219999999999999 110.267 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 41.4 t -53.77 120.98 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 54.149999999999999 109.288 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 619' ' ' TRP . . . . . 0.629 ' CE2' ' HE3' ' A' ' 638' ' ' MET . 48.7 m0 -78.95 -41.23 29.82 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.98 -1.119 . . . . 72.430000000000007 107.98 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 620' ' ' GLY . . . . . . . . . . . . . . . 158.41 -112.01 0.51 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.5 1.125 . . . . 35.210000000000001 110.999 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 621' ' ' LEU . . . . . 0.738 HD22 ' C ' ' A' ' 621' ' ' LEU . 0.0 OUTLIER -147.18 154.23 40.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 0.753 . . . . 72.340000000000003 109.239 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 622' ' ' GLN . . . . . 0.621 ' N ' HD22 ' A' ' 621' ' ' LEU . 1.1 tt0 -85.75 135.96 33.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 74.209999999999994 110.322 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 623' ' ' MET . . . . . 0.561 ' HG3' HG21 ' A' ' 632' ' ' VAL . 9.2 mmt -115.3 145.35 42.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 73.150000000000006 110.988 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 624' ' ' ILE . . . . . 0.652 ' N ' HD12 ' A' ' 624' ' ' ILE . 3.9 mp -114.89 141.01 33.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 73.430000000000007 109.26 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 625' ' ' TYR . . . . . 0.565 ' CE2' ' HG3' ' A' ' 626' ' ' LYS . 8.4 t80 -147.77 114.44 6.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 75.239999999999995 110.981 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 626' ' ' LYS . . . . . 0.565 ' HG3' ' CE2' ' A' ' 625' ' ' TYR . 0.0 OUTLIER 66.63 17.39 10.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 50.009999999999998 109.278 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 627' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.1 p 85.34 39.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.088 . . . . 75.409999999999997 110.031 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 628' ' ' VAL . . . . . 0.705 HG12 ' HG ' ' A' ' 630' ' ' LEU . 54.5 t -125.42 123.12 64.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.153 . . . . 62.310000000000002 109.324 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 629' ' ' LYS . . . . . 0.411 ' HE3' ' CG1' ' A' ' 624' ' ' ILE . 5.0 mmmm -75.46 99.61 4.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 73.019999999999996 109.286 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 630' ' ' LEU . . . . . 0.831 HD22 HG22 ' A' ' 580' ' ' VAL . 32.8 mt -119.68 111.65 35.95 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 72.310000000000002 109.289 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 631' ' ' PRO . . . . . 0.745 ' HB2' HD11 ' A' ' 633' ' ' LEU . 18.4 Cg_endo -74.95 135.9 19.79 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.532 1.806 . . . . 73.510000000000005 111.001 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 632' ' ' VAL . . . . . 0.788 ' C ' HD13 ' A' ' 633' ' ' LEU . 18.8 t -103.28 100.13 9.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 74.510000000000005 109.26 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 633' ' ' LEU . . . . . 0.809 ' N ' HD13 ' A' ' 633' ' ' LEU . 0.0 OUTLIER -101.73 171.6 7.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 74.430000000000007 109.309 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 634' ' ' LYS . . . . . 0.439 ' CD ' ' O ' ' A' ' 619' ' ' TRP . 2.8 mtpt -96.09 -176.77 3.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.138 . . . . 72.329999999999998 109.311 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 635' ' ' VAL . . . . . 0.835 HG11 ' C ' ' A' ' 651' ' ' LYS . 7.5 p -107.16 -23.83 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 73.209999999999994 109.293 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 636' ' ' ARG . . . . . 0.736 ' O ' HD13 ' A' ' 557' ' ' ILE . 8.7 ptp180 -85.88 -4.32 59.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 72.230000000000004 110.293 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 4.4 m -109.8 -15.67 14.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 65.120000000000005 109.958 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 638' ' ' MET . . . . . 0.629 ' HE3' ' CE2' ' A' ' 619' ' ' TRP . 32.8 mmt -106.47 127.21 53.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 62.039999999999999 111.031 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 639' ' ' LEU . . . . . 0.928 HD21 ' HD2' ' A' ' 646' ' ' ARG . 8.6 tp -90.45 141.65 28.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 62.420000000000002 109.293 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 640' ' ' LEU . . . . . 0.455 HD13 ' C ' ' A' ' 639' ' ' LEU . 0.6 OUTLIER -108.99 93.7 4.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 73.230000000000004 109.287 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . 0.808 ' HB2' HD11 ' A' ' 555' ' ' LEU . 7.0 mt-10 -73.57 120.93 19.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 73.450000000000003 110.292 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 642' ' ' THR . . . . . 0.442 HG21 HD12 ' A' ' 647' ' ' ILE . 0.1 OUTLIER -131.69 159.76 70.49 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 72.150000000000006 110.404 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 1.69 7.48 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.442 1.759 . . . . 75.099999999999994 110.964 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 644' ' ' GLN . . . . . 0.437 ' NE2' ' O ' ' A' ' 546' ' ' GLN . 5.8 mt-30 -111.35 -4.7 14.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 62.450000000000003 110.309 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 123.79 144.16 6.44 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.496 1.122 . . . . 23.0 110.994 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 646' ' ' ARG . . . . . 0.928 ' HD2' HD21 ' A' ' 639' ' ' LEU . 51.7 mtm-85 -58.86 152.15 19.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 0.764 . . . . 72.0 110.278 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 647' ' ' ILE . . . . . 0.442 HD12 HG21 ' A' ' 642' ' ' THR . 15.6 mt -137.28 127.23 37.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 74.209999999999994 109.308 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 648' ' ' GLN . . . . . 0.713 ' OE1' HD12 ' A' ' 557' ' ' ILE . 0.0 OUTLIER -120.82 95.38 4.69 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.143 . . . . 54.340000000000003 110.285 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 649' ' ' ALA . . . . . . . . . . . . . . . -88.73 176.08 7.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 53.020000000000003 109.261 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 26.2 mttm -111.53 -29.56 7.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 73.430000000000007 109.31 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 651' ' ' LYS . . . . . 0.835 ' C ' HG11 ' A' ' 635' ' ' VAL . 0.6 OUTLIER -126.44 155.42 42.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.437 1.086 . . . . 74.299999999999997 109.298 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 652' ' ' TRP . . . . . 0.753 ' CE3' ' CD2' ' A' ' 577' ' ' HIS . 64.9 m95 -73.36 -6.88 49.03 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.967 -1.123 . . . . 73.019999999999996 107.967 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 28.8 t -73.0 -19.24 61.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 72.099999999999994 110.024 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 654' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 655' ' ' VAL . 3.2 mmm180 -101.57 -15.41 17.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 74.219999999999999 110.294 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 655' ' ' VAL . . . . . 0.674 HG23 ' HA ' ' A' ' 652' ' ' TRP . 2.3 t -40.0 127.06 1.62 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.436 1.085 . . . . 63.43 109.266 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 656' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -50.85 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.451 1.764 . . . . 65.439999999999998 110.999 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 657' ' ' PHE . . . . . 0.759 ' HB3' HG21 ' A' ' 552' ' ' VAL . 52.5 p90 -67.5 163.25 21.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 71.349999999999994 111.042 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 658' ' ' SER . . . . . 0.596 ' O ' HG11 ' A' ' 549' ' ' VAL . 0.7 OUTLIER -110.37 150.28 29.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 73.319999999999993 109.988 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 659' ' ' VAL . . . . . 0.687 HG23 ' HA ' ' A' ' 570' ' ' ARG . 0.1 OUTLIER -150.78 104.49 3.04 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 72.099999999999994 109.329 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 660' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 155.88 43.03 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.512 1.796 . . . . 72.099999999999994 111.01 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -42.52 161.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 74.150000000000006 109.313 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 662' ' ' PHE . . . . . 0.534 ' CZ ' ' CG ' ' A' ' 667' ' ' HIS . 27.5 t80 -78.36 115.8 18.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 72.0 110.988 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 663' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.25 106.95 6.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.567 1.167 . . . . 45.140000000000001 109.332 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 664' ' ' PHE . . . . . 0.455 ' O ' ' CB ' ' A' ' 668' ' ' CYS . 21.7 t80 -72.52 -34.46 67.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 74.450000000000003 110.988 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 22.3 mt -62.58 -54.79 34.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 75.430000000000007 109.29 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 666' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 669' ' ' ALA . 24.1 tp60 -61.39 -59.28 5.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 73.200000000000003 110.304 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 667' ' ' HIS . . . . . 0.534 ' CG ' ' CZ ' ' A' ' 662' ' ' PHE . 1.9 t60 -50.37 -36.99 34.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 63.109999999999999 109.629 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 668' ' ' CYS . . . . . 0.455 ' CB ' ' O ' ' A' ' 664' ' ' PHE . 42.3 t -72.79 -29.84 63.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 52.439999999999998 108.288 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 669' ' ' ALA . . . . . 0.7 ' O ' HD21 ' A' ' 675' ' ' LEU . . . -74.54 -11.54 60.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 71.400000000000006 109.298 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 670' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -115.77 -2.21 12.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 65.439999999999998 110.274 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -106.89 -15.95 14.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 71.420000000000002 109.289 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 15.0 mt -89.38 -176.19 4.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.117 . . . . 65.450000000000003 109.371 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -100.8 7.77 43.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 71.109999999999999 110.011 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -57.44 -18.33 17.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.117 . . . . 73.340000000000003 109.299 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 675' ' ' LEU . . . . . 0.7 HD21 ' O ' ' A' ' 669' ' ' ALA . 0.4 OUTLIER -83.19 -72.37 0.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 61.329999999999998 109.319 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 676' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -159.76 147.86 17.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.098 . . . . 65.219999999999999 109.986 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 11.4 mt -73.79 -64.29 1.03 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 75.439999999999998 109.248 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 21.8 t0 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 73.230000000000004 109.315 179.994 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 679' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 110.983 -0.847 . . . . 73.310000000000002 110.983 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -83.61 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.521 1.8 . . . . 71.519999999999996 110.967 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 30.3 m80 -116.54 136.9 52.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 75.120000000000005 109.54 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 545' ' ' MET . . . . . 0.403 ' C ' ' CE1' ' A' ' 547' ' ' PHE . 70.2 mtp -91.57 75.05 5.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 63.340000000000003 111.018 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 546' ' ' GLN . . . . . 0.605 ' C ' ' CD1' ' A' ' 547' ' ' PHE . 10.0 mt-30 -124.11 140.05 53.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 55.310000000000002 110.291 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 547' ' ' PHE . . . . . 0.645 ' N ' ' CD1' ' A' ' 547' ' ' PHE . 0.1 OUTLIER -153.12 98.67 2.75 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 70.319999999999993 110.984 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 548' ' ' PRO . . . . . 0.527 ' O ' HG23 ' A' ' 552' ' ' VAL . 18.3 Cg_endo -74.97 140.81 25.99 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.482 1.78 . . . . 72.400000000000006 111.003 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 549' ' ' VAL . . . . . 0.627 HG12 ' HB2' ' A' ' 657' ' ' PHE . 31.5 m -52.51 -46.75 48.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 72.409999999999997 109.3 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 550' ' ' GLU . . . . . 0.408 ' N ' HG23 ' A' ' 549' ' ' VAL . 2.4 pt-20 -54.21 -24.12 17.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 73.129999999999995 110.274 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 551' ' ' HIS . . . . . 0.508 ' CG ' ' HG2' ' A' ' 548' ' ' PRO . 35.7 m170 -99.54 -24.53 14.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.581 1.175 . . . . 73.109999999999999 109.592 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 552' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 548' ' ' PRO . 79.2 t -91.05 117.99 35.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 72.430000000000007 109.314 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 553' ' ' GLN . . . . . 0.594 ' HB3' HD11 ' A' ' 555' ' ' LEU . 9.2 tt0 -99.59 168.46 9.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 73.010000000000005 110.309 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 554' ' ' LEU . . . . . 0.921 HD11 HD23 ' A' ' 569' ' ' LEU . 1.9 mt -108.26 108.56 19.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 64.150000000000006 109.284 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 555' ' ' LEU . . . . . 0.85 HD12 ' N ' ' A' ' 555' ' ' LEU . 0.1 OUTLIER -121.87 174.34 6.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 63.219999999999999 109.295 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 556' ' ' CYS . . . . . 0.565 ' O ' ' N ' ' A' ' 560' ' ' MET . 3.8 t -107.46 108.57 19.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 114.992 -1.004 . . . . 72.510000000000005 110.95 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 557' ' ' ILE . . . . . 0.835 HD13 ' O ' ' A' ' 636' ' ' ARG . 0.7 OUTLIER -35.23 -32.64 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 64.129999999999995 109.306 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 558' ' ' ASN . . . . . 0.527 ' N ' ' O ' ' A' ' 556' ' ' CYS . 4.4 m-20 -84.93 -67.06 0.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 75.129999999999995 109.309 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 559' ' ' CYS . . . . . 0.488 ' O ' ' HB2' ' A' ' 560' ' ' MET . 4.1 m -64.08 -64.52 0.87 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 71.109999999999999 108.298 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 560' ' ' MET . . . . . 0.565 ' N ' ' O ' ' A' ' 556' ' ' CYS . 10.6 mtm 68.63 42.06 1.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 64.439999999999998 110.953 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 561' ' ' VAL . . . . . 0.486 HG22 ' ND2' ' A' ' 614' ' ' ASN . 0.9 OUTLIER -116.56 10.96 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 72.420000000000002 109.334 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 562' ' ' ALA . . . . . 0.416 ' HA ' ' HG ' ' A' ' 555' ' ' LEU . . . 66.11 109.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 51.240000000000002 109.285 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 563' ' ' VAL . . . . . 0.79 HG12 ' CD1' ' A' ' 587' ' ' TYR . 0.8 OUTLIER -103.34 -12.03 9.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 72.209999999999994 109.288 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -167.17 -142.25 3.39 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.5 1.125 . . . . 65.219999999999999 110.991 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 565' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -150.8 155.19 38.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 0.748 . . . . 72.430000000000007 109.606 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . -74.39 -12.43 82.11 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.531 1.144 . . . . 71.349999999999994 111.024 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 3.1 p -108.61 12.75 25.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 0.731 . . . . 72.5 110.004 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -112.59 -32.33 6.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 71.299999999999997 109.295 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 569' ' ' LEU . . . . . 0.921 HD23 HD11 ' A' ' 554' ' ' LEU . 0.1 OUTLIER -76.92 170.39 16.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 63.340000000000003 109.292 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 570' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -146.66 -175.34 4.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 73.450000000000003 110.301 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 571' ' ' LYS . . . . . 0.55 ' HD3' ' CE1' ' A' ' 577' ' ' HIS . 19.7 ttpt -126.75 158.64 35.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.127 . . . . 71.349999999999994 109.263 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 572' ' ' VAL . . . . . 1.013 HG23 HG21 ' A' ' 578' ' ' VAL . 2.4 t -121.35 111.16 30.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.163 . . . . 53.329999999999998 109.287 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 573' ' ' GLU . . . . . 0.417 ' HG2' HG12 ' A' ' 572' ' ' VAL . 6.3 pt-20 40.12 37.74 0.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 75.239999999999995 110.274 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 41.59 47.93 4.84 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.511 1.132 . . . . 74.510000000000005 110.978 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 2.7 m -119.21 -49.74 2.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 0.757 . . . . 50.200000000000003 110.409 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 23.1 m80 -146.47 106.15 3.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 64.430000000000007 109.615 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 577' ' ' HIS . . . . . 0.55 ' CE1' ' HD3' ' A' ' 571' ' ' LYS . 29.8 m-70 -46.41 126.72 8.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 75.209999999999994 109.556 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 578' ' ' VAL . . . . . 1.113 HG12 HG22 ' A' ' 632' ' ' VAL . 2.5 m -125.45 123.53 65.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 74.219999999999999 109.333 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 579' ' ' ASN . . . . . 0.637 ' ND2' HD23 ' A' ' 633' ' ' LEU . 0.9 OUTLIER -93.82 128.14 39.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 74.049999999999997 109.262 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 580' ' ' VAL . . . . . 0.511 HG11 ' HE1' ' A' ' 667' ' ' HIS . 2.4 t -104.64 134.15 46.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 62.450000000000003 109.322 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 581' ' ' ASN . . . . . 0.47 ' CB ' ' HB2' ' A' ' 584' ' ' PHE . 2.1 m120 176.38 130.05 0.17 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.463 1.102 . . . . 65.239999999999995 109.318 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 582' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -36.21 2.65 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.465 1.771 . . . . 74.540000000000006 110.983 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 583' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -75.96 -2.5 30.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 71.209999999999994 109.328 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 584' ' ' PHE . . . . . 0.605 ' CE2' HD21 ' A' ' 633' ' ' LEU . 3.4 t80 -71.9 -31.96 66.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 73.109999999999999 111.026 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 585' ' ' SER . . . . . 0.516 ' HA ' ' CE2' ' A' ' 588' ' ' TYR . 10.2 p -59.71 -21.4 60.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 73.420000000000002 109.953 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -87.39 -16.88 33.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 73.140000000000001 109.303 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 587' ' ' TYR . . . . . 0.79 ' CD1' HG12 ' A' ' 563' ' ' VAL . 10.4 m-85 -96.08 6.39 48.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 71.409999999999997 110.961 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 588' ' ' TYR . . . . . 0.607 ' HE1' HG23 ' A' ' 590' ' ' VAL . 2.0 p90 -165.53 157.6 14.94 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.457 1.098 . . . . 61.530000000000001 111.054 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 589' ' ' ASN . . . . . . . . . . . . . 26.9 m-80 -127.86 122.37 32.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 75.349999999999994 109.277 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 590' ' ' VAL . . . . . 0.753 HG13 ' HA3' ' A' ' 608' ' ' GLY . 16.4 t -74.71 133.57 31.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 73.120000000000005 109.306 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 13.0 t -56.58 173.66 0.18 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 75.120000000000005 109.945 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 67.7 mtt180 -86.91 -41.85 13.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 73.439999999999998 110.337 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -42.41 155.47 0.25 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 74.540000000000006 109.303 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -89.58 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.498 1.788 . . . . 72.420000000000002 111.045 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 595' ' ' VAL . . . . . 0.448 ' CG2' ' HG2' ' A' ' 606' ' ' PRO . 41.1 t -107.2 126.16 63.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 72.019999999999996 109.303 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 596' ' ' VAL . . . . . . . . . . . . . 2.5 t -132.49 78.28 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 53.020000000000003 109.298 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 597' ' ' ILE . . . . . 0.496 ' CG2' ' N ' ' A' ' 598' ' ' ASN . 2.6 mt -141.1 163.98 20.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 72.219999999999999 109.344 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 598' ' ' ASN . . . . . 0.496 ' N ' ' CG2' ' A' ' 597' ' ' ILE . 51.6 m-20 -76.48 -50.56 13.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 61.32 109.338 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -133.48 143.51 48.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 75.409999999999997 109.359 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 600' ' ' VAL . . . . . . . . . . . . . 9.4 t -83.12 156.08 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 72.230000000000004 109.323 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 601' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -123.65 167.65 13.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 73.129999999999995 111.049 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 602' ' ' LYS . . . . . 0.406 ' HD3' ' N ' ' A' ' 602' ' ' LYS . 0.1 OUTLIER -103.14 -57.61 2.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 71.549999999999997 109.318 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -40.52 -31.68 0.16 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.122 . . . . 63.439999999999998 109.357 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 604' ' ' TRP . . . . . 0.571 ' HZ3' HG11 ' A' ' 578' ' ' VAL . 0.5 OUTLIER -156.61 166.15 34.23 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.01 -1.108 . . . . 74.329999999999998 108.01 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 605' ' ' LYS . . . . . . . . . . . . . 16.2 pttt -117.0 165.65 14.9 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 72.200000000000003 109.319 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 606' ' ' PRO . . . . . 0.448 ' HG2' ' CG2' ' A' ' 595' ' ' VAL . 18.3 Cg_endo -74.93 165.71 30.78 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.508 1.793 . . . . 60.009999999999998 110.998 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 607' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 622' ' ' GLN . . . -130.66 -101.78 0.92 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.498 1.124 . . . . 70.319999999999993 110.99 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 608' ' ' GLY . . . . . 0.753 ' HA3' HG13 ' A' ' 590' ' ' VAL . . . -146.73 146.49 16.48 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.94 -0.864 . . . . 51.009999999999998 110.94 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 37.2 t -55.08 124.61 8.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 0.764 . . . . 65.239999999999995 109.266 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 610' ' ' ILE . . . . . 0.556 HD11 ' HA ' ' A' ' 622' ' ' GLN . 0.7 OUTLIER -92.59 143.79 10.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 70.409999999999997 109.3 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.83 120.7 8.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 70.519999999999996 109.987 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 612' ' ' CYS . . . . . 0.503 ' HB2' ' CE2' ' A' ' 619' ' ' TRP . 37.8 t -47.84 121.1 3.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 73.329999999999998 108.297 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 8.3 ttt-85 -70.27 -27.82 64.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 75.420000000000002 110.312 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 614' ' ' ASN . . . . . 0.486 ' ND2' HG22 ' A' ' 561' ' ' VAL . 81.0 m-20 -66.42 -38.15 86.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 74.140000000000001 109.316 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 615' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -122.14 -76.05 0.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 74.049999999999997 108.294 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 616' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 148.46 -17.0 1.29 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.504 1.128 . . . . 54.030000000000001 111.047 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -42.09 102.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 0.748 . . . . 72.530000000000001 110.323 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 618' ' ' VAL . . . . . 0.446 ' O ' ' NZ ' ' A' ' 634' ' ' LYS . 25.0 t -53.98 103.42 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 55.229999999999997 109.298 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 619' ' ' TRP . . . . . 0.702 ' CE2' ' HE3' ' A' ' 638' ' ' MET . 37.0 m0 -62.5 -49.62 74.65 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.021 -1.103 . . . . 62.130000000000003 108.021 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 620' ' ' GLY . . . . . . . . . . . . . . . 174.56 -111.9 0.38 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.532 1.145 . . . . 65.349999999999994 110.947 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 621' ' ' LEU . . . . . 0.755 HD22 ' C ' ' A' ' 621' ' ' LEU . 0.0 OUTLIER -150.61 155.0 38.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 0.776 . . . . 64.540000000000006 109.253 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 622' ' ' GLN . . . . . 0.633 ' N ' HD22 ' A' ' 621' ' ' LEU . 0.9 OUTLIER -87.53 132.75 33.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 63.140000000000001 110.283 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 623' ' ' MET . . . . . 0.555 ' HB3' ' CE3' ' A' ' 604' ' ' TRP . 10.1 mmt -109.28 141.39 41.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 74.129999999999995 110.97 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 624' ' ' ILE . . . . . . . . . . . . . 4.4 mp -115.08 117.34 55.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 71.230000000000004 109.3 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 625' ' ' TYR . . . . . 0.599 ' C ' ' CD1' ' A' ' 625' ' ' TYR . 0.1 OUTLIER -113.09 115.42 28.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 64.430000000000007 111.029 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 626' ' ' LYS . . . . . 0.506 ' CA ' ' HE2' ' A' ' 626' ' ' LYS . 0.8 OUTLIER 60.35 22.41 11.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 71.209999999999994 109.292 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 627' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.2 p 84.29 42.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 40.140000000000001 109.993 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 628' ' ' VAL . . . . . 0.886 HG12 ' HG ' ' A' ' 630' ' ' LEU . 53.4 t -126.38 112.7 30.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 74.439999999999998 109.315 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 6.0 mmmm -62.4 98.23 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 72.5 109.296 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 630' ' ' LEU . . . . . 0.886 ' HG ' HG12 ' A' ' 628' ' ' VAL . 96.4 mt -125.82 112.09 24.82 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 61.240000000000002 109.28 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 631' ' ' PRO . . . . . 0.445 ' HA ' ' HA ' ' A' ' 622' ' ' GLN . 18.4 Cg_endo -74.98 162.18 37.6 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.473 1.775 . . . . 52.420000000000002 110.971 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 632' ' ' VAL . . . . . 1.113 HG22 HG12 ' A' ' 578' ' ' VAL . 21.7 t -134.78 102.34 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 75.409999999999997 109.32 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 633' ' ' LEU . . . . . 0.767 ' N ' HD13 ' A' ' 633' ' ' LEU . 0.1 OUTLIER -98.44 171.86 7.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 54.200000000000003 109.315 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 634' ' ' LYS . . . . . 0.533 ' HZ3' ' HA ' ' A' ' 619' ' ' TRP . 2.9 mtmm -105.4 -172.99 2.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 74.329999999999998 109.29 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 635' ' ' VAL . . . . . 0.924 HG11 ' C ' ' A' ' 651' ' ' LYS . 7.0 p -109.19 -12.97 10.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 74.140000000000001 109.302 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 636' ' ' ARG . . . . . 0.835 ' O ' HD13 ' A' ' 557' ' ' ILE . 0.2 OUTLIER -80.71 -35.73 33.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 75.430000000000007 110.288 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 1.3 t -89.79 -7.9 53.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.579 1.174 . . . . 73.150000000000006 110.037 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 638' ' ' MET . . . . . 0.702 ' HE3' ' CE2' ' A' ' 619' ' ' TRP . 32.9 mmt -109.96 124.72 51.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 71.109999999999999 111.018 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 639' ' ' LEU . . . . . 0.75 HD21 ' HB3' ' A' ' 646' ' ' ARG . 0.6 OUTLIER -100.04 142.67 31.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 74.140000000000001 109.307 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 640' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -106.68 119.12 38.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 72.530000000000001 109.324 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . 0.495 ' CD ' HD21 ' A' ' 555' ' ' LEU . 8.6 mt-10 -90.3 128.56 36.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 75.420000000000002 110.318 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 642' ' ' THR . . . . . 0.564 HG21 HD12 ' A' ' 647' ' ' ILE . 0.5 OUTLIER -140.29 160.41 59.91 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 55.509999999999998 110.346 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 1.94 7.18 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.454 1.765 . . . . 75.109999999999999 110.995 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 644' ' ' GLN . . . . . 0.589 ' NE2' ' CE2' ' A' ' 547' ' ' PHE . 24.5 mt-30 -107.44 -9.48 15.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 75.439999999999998 110.277 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 125.16 143.69 6.12 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.456 1.098 . . . . 74.209999999999994 111.007 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 646' ' ' ARG . . . . . 0.75 ' HB3' HD21 ' A' ' 639' ' ' LEU . 51.3 mtm180 -50.74 150.6 2.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 0.787 . . . . 72.040000000000006 110.328 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 647' ' ' ILE . . . . . 0.564 HD12 HG21 ' A' ' 642' ' ' THR . 51.2 mt -136.71 120.21 22.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 74.349999999999994 109.308 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 648' ' ' GLN . . . . . 0.428 ' NE2' ' O ' ' A' ' 636' ' ' ARG . 0.9 OUTLIER -120.48 110.62 16.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 70.030000000000001 110.335 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 649' ' ' ALA . . . . . . . . . . . . . . . -120.63 154.36 35.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.089 . . . . 31.539999999999999 109.28 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 8.9 mttp -98.71 9.02 44.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 72.099999999999994 109.307 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 651' ' ' LYS . . . . . 0.924 ' C ' HG11 ' A' ' 635' ' ' VAL . 0.9 OUTLIER -145.79 138.85 26.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 73.530000000000001 109.258 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 652' ' ' TRP . . . . . 0.546 ' N ' HG11 ' A' ' 635' ' ' VAL . 42.0 m95 -70.79 -9.25 57.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 72.420000000000002 107.994 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 42.3 m -65.87 -10.49 38.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 73.030000000000001 109.962 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 654' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 655' ' ' VAL . 5.1 mmt180 -106.77 -23.33 12.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 74.319999999999993 110.273 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 655' ' ' VAL . . . . . 0.769 HG13 ' CD2' ' A' ' 657' ' ' PHE . 2.6 t -40.24 117.38 1.33 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 62.340000000000003 109.28 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 656' ' ' PRO . . . . . 0.505 ' HB2' ' CG ' ' A' ' 547' ' ' PHE . 18.5 Cg_endo -74.9 -42.44 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.501 1.79 . . . . 74.430000000000007 111.006 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 657' ' ' PHE . . . . . 0.895 ' CE1' HG22 ' A' ' 659' ' ' VAL . 37.7 p90 -69.52 155.31 40.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 72.109999999999999 110.965 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 658' ' ' SER . . . . . 0.503 ' O ' HG11 ' A' ' 549' ' ' VAL . 0.7 OUTLIER -85.69 146.03 27.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 72.329999999999998 109.976 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 659' ' ' VAL . . . . . 0.895 HG22 ' CE1' ' A' ' 657' ' ' PHE . 2.0 t -126.53 100.53 28.64 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 72.549999999999997 109.303 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 660' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 147.36 34.04 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.451 1.764 . . . . 75.400000000000006 111.014 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 661' ' ' ASP . . . . . 0.404 ' HA ' ' O ' ' A' ' 571' ' ' LYS . 5.0 p-10 -70.1 169.38 13.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 71.239999999999995 109.317 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 662' ' ' PHE . . . . . 0.674 ' CZ ' ' CG ' ' A' ' 667' ' ' HIS . 35.2 t80 -83.42 102.54 12.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.1 . . . . 74.319999999999993 110.98 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 663' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -80.7 93.52 6.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 73.340000000000003 109.309 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 664' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -43.47 -31.54 0.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 62.43 110.971 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 87.7 mt -68.43 -60.38 2.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 64.530000000000001 109.279 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 666' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 669' ' ' ALA . 10.0 tt0 -55.38 -56.1 24.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 74.349999999999994 110.307 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 667' ' ' HIS . . . . . 0.674 ' CG ' ' CZ ' ' A' ' 662' ' ' PHE . 20.3 t60 -47.36 -49.1 25.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 74.230000000000004 109.567 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 668' ' ' CYS . . . . . . . . . . . . . 6.7 m -62.07 -32.06 72.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.155 . . . . 75.120000000000005 108.342 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 669' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 666' ' ' GLN . . . -77.23 -11.48 59.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 72.310000000000002 109.304 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 670' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -115.75 -2.75 12.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 74.530000000000001 110.285 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 671' ' ' ASN . . . . . 0.641 ' ND2' ' CD2' ' A' ' 667' ' ' HIS . 1.1 m-80 -98.94 -46.8 5.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 75.540000000000006 109.341 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 672' ' ' LEU . . . . . 0.673 ' N ' HD23 ' A' ' 672' ' ' LEU . 0.7 OUTLIER -88.54 -172.77 3.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 74.25 109.3 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 1.7 m -136.16 42.03 2.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 63.109999999999999 109.981 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -73.44 -16.56 61.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 70.519999999999996 109.282 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 675' ' ' LEU . . . . . 0.491 ' H ' HD22 ' A' ' 675' ' ' LEU . 0.6 OUTLIER -74.31 -60.84 2.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 64.049999999999997 109.324 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 676' ' ' SER . . . . . 0.721 ' C ' HD13 ' A' ' 677' ' ' LEU . 4.0 m -173.39 174.84 3.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 74.349999999999994 110.024 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 677' ' ' LEU . . . . . 0.721 HD13 ' C ' ' A' ' 676' ' ' SER . 0.1 OUTLIER -115.24 -37.75 4.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 64.109999999999999 109.298 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 6.3 t70 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 74.239999999999995 109.324 -179.997 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 679' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 110.992 -0.843 . . . . 62.240000000000002 110.992 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 136.47 20.53 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.502 1.79 . . . . 71.420000000000002 111.023 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 24.8 m170 -91.36 -29.4 17.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 73.319999999999993 109.542 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 545' ' ' MET . . . . . . . . . . . . . 18.9 mmm 40.31 52.93 2.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 74.140000000000001 111.028 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 546' ' ' GLN . . . . . 0.522 ' C ' ' CD1' ' A' ' 547' ' ' PHE . 2.8 pt20 -115.3 138.84 50.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.15 . . . . 73.319999999999993 110.309 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 547' ' ' PHE . . . . . 0.582 ' N ' ' CD1' ' A' ' 547' ' ' PHE . 0.7 OUTLIER -145.56 103.03 4.27 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 74.299999999999997 110.96 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 548' ' ' PRO . . . . . 0.454 ' HB2' ' CG ' ' A' ' 550' ' ' GLU . 18.3 Cg_endo -75.03 141.05 26.07 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.444 1.76 . . . . 74.099999999999994 110.99 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 549' ' ' VAL . . . . . 0.534 HG12 ' HB2' ' A' ' 657' ' ' PHE . 31.2 m -49.16 -42.57 15.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 74.140000000000001 109.305 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 550' ' ' GLU . . . . . 0.454 ' CG ' ' HB2' ' A' ' 548' ' ' PRO . 2.9 pt-20 -54.35 -33.88 59.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 74.519999999999996 110.272 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -82.49 -26.73 32.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 74.140000000000001 109.596 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 552' ' ' VAL . . . . . 0.72 HG11 ' CD2' ' A' ' 657' ' ' PHE . 45.9 t -87.42 121.49 38.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 73.329999999999998 109.303 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 553' ' ' GLN . . . . . 0.495 HE21 HD21 ' A' ' 555' ' ' LEU . 14.5 tt0 -110.85 145.03 38.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 65.109999999999999 110.278 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 554' ' ' LEU . . . . . 0.988 HD11 HD23 ' A' ' 569' ' ' LEU . 1.3 mt -86.08 113.18 21.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 71.340000000000003 109.277 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 555' ' ' LEU . . . . . 0.856 HD11 ' HB2' ' A' ' 641' ' ' GLU . 0.2 OUTLIER -133.81 -179.85 5.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 65.219999999999999 109.265 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 556' ' ' CYS . . . . . 0.548 ' O ' ' N ' ' A' ' 560' ' ' MET . 5.1 t -107.26 102.49 11.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.008 -0.996 . . . . 52.229999999999997 110.895 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 557' ' ' ILE . . . . . 0.784 HD13 ' O ' ' A' ' 636' ' ' ARG . 1.2 pt -35.62 -33.37 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 72.439999999999998 109.298 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 558' ' ' ASN . . . . . 0.501 ' N ' ' O ' ' A' ' 556' ' ' CYS . 2.9 m120 -76.38 -62.56 1.58 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 71.439999999999998 109.336 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 559' ' ' CYS . . . . . 0.45 ' O ' ' HB2' ' A' ' 560' ' ' MET . 11.6 m -76.04 -67.94 0.63 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.521 1.138 . . . . 64.150000000000006 108.278 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 560' ' ' MET . . . . . 0.548 ' N ' ' O ' ' A' ' 556' ' ' CYS . 24.9 mtm 76.57 48.55 0.07 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.474 1.109 . . . . 64.319999999999993 111.032 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 561' ' ' VAL . . . . . 0.656 ' O ' ' HB3' ' A' ' 562' ' ' ALA . 1.0 OUTLIER -113.59 -2.71 10.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 55.140000000000001 109.264 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 562' ' ' ALA . . . . . 0.817 ' CA ' HD23 ' A' ' 555' ' ' LEU . . . 83.39 108.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.145 . . . . 64.310000000000002 109.249 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 563' ' ' VAL . . . . . 0.679 HG12 ' CD1' ' A' ' 587' ' ' TYR . 1.6 m -105.92 -8.24 10.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 71.209999999999994 109.28 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -178.29 -159.93 23.73 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.494 1.121 . . . . 63.399999999999999 110.995 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 565' ' ' HIS . . . . . . . . . . . . . 70.7 m80 -126.97 145.21 50.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.537 0.786 . . . . 73.230000000000004 109.57 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . -75.8 0.54 61.42 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.498 1.124 . . . . 71.420000000000002 111.008 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 567' ' ' SER . . . . . 0.513 ' CB ' HG23 ' A' ' 549' ' ' VAL . 24.9 p -118.79 8.24 11.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 0.759 . . . . 72.439999999999998 110.011 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -111.96 -17.01 12.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 43.340000000000003 109.276 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 569' ' ' LEU . . . . . 0.988 HD23 HD11 ' A' ' 554' ' ' LEU . 0.1 OUTLIER -87.51 163.84 16.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 71.340000000000003 109.284 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 570' ' ' ARG . . . . . 0.404 ' CD ' ' HA ' ' A' ' 662' ' ' PHE . 48.7 mtt-85 -147.19 177.63 9.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 72.549999999999997 110.282 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 571' ' ' LYS . . . . . 0.57 ' HD3' ' CE1' ' A' ' 577' ' ' HIS . 20.9 mtmt -108.1 119.87 40.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 73.510000000000005 109.263 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 572' ' ' VAL . . . . . 0.769 HG11 ' CE3' ' A' ' 604' ' ' TRP . 2.5 t -77.97 114.94 19.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 75.25 109.255 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 573' ' ' GLU . . . . . 0.569 ' HG2' HG12 ' A' ' 572' ' ' VAL . 13.1 pt-20 45.69 34.6 1.82 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 73.420000000000002 110.341 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 46.02 41.36 10.78 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.518 1.136 . . . . 72.109999999999999 110.978 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 1.8 m -108.64 -53.97 2.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 0.736 . . . . 73.129999999999995 110.402 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 24.7 m170 -147.54 144.31 28.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 65.319999999999993 109.602 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 577' ' ' HIS . . . . . 0.726 ' CG ' ' CE3' ' A' ' 652' ' ' TRP . 16.3 m-70 -70.86 128.57 36.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 74.310000000000002 109.6 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 578' ' ' VAL . . . . . 0.861 HG12 ' HA ' ' A' ' 632' ' ' VAL . 15.6 m -137.11 128.05 40.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 54.329999999999998 109.275 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 579' ' ' ASN . . . . . 0.453 ' HA ' ' CB ' ' A' ' 569' ' ' LEU . 2.3 t-20 -91.83 125.39 36.52 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 73.319999999999993 109.302 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 580' ' ' VAL . . . . . 0.974 HG11 ' CE1' ' A' ' 667' ' ' HIS . 2.5 t -100.08 129.74 50.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 73.409999999999997 109.299 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 581' ' ' ASN . . . . . 0.427 ' ND2' ' HD2' ' A' ' 582' ' ' PRO . 3.7 t30 176.25 141.85 0.22 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 74.120000000000005 109.305 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 582' ' ' PRO . . . . . 0.427 ' HD2' ' ND2' ' A' ' 581' ' ' ASN . 18.3 Cg_endo -75.02 -42.49 0.5 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.466 1.771 . . . . 60.200000000000003 111.015 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 583' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -58.88 -16.66 18.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 63.310000000000002 109.29 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 584' ' ' PHE . . . . . 0.491 ' O ' ' CD2' ' A' ' 588' ' ' TYR . 1.6 t80 -63.51 -33.49 75.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.111 . . . . 75.299999999999997 110.955 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 47.8 t -60.11 -28.66 68.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 60.409999999999997 109.966 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -87.04 -7.6 57.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 54.130000000000003 109.299 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 587' ' ' TYR . . . . . 0.679 ' CD1' HG12 ' A' ' 563' ' ' VAL . 2.4 m-85 -102.01 0.43 35.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 61.409999999999997 110.977 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 588' ' ' TYR . . . . . 0.744 ' HE1' HG23 ' A' ' 590' ' ' VAL . 0.9 OUTLIER -162.09 158.55 24.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 73.230000000000004 111.048 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 589' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -132.76 117.59 18.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 74.340000000000003 109.297 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 590' ' ' VAL . . . . . 0.744 HG23 ' HE1' ' A' ' 588' ' ' TYR . 12.9 t -72.57 141.65 16.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.127 . . . . 72.329999999999998 109.31 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 8.9 t -50.43 155.32 1.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 71.239999999999995 109.962 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 61.6 mtm-85 -52.74 -64.79 0.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 65.140000000000001 110.263 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -41.35 150.47 0.33 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 74.310000000000002 109.305 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -72.08 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.505 1.792 . . . . 71.510000000000005 111.013 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 55.3 t -126.69 120.98 57.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 72.409999999999997 109.34 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 596' ' ' VAL . . . . . . . . . . . . . 2.2 t -135.82 91.31 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 74.329999999999998 109.3 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 597' ' ' ILE . . . . . 0.674 HD11 ' CD1' ' A' ' 621' ' ' LEU . 3.3 mm -137.78 165.12 27.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.158 . . . . 73.099999999999994 109.301 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 598' ' ' ASN . . . . . 0.477 ' N ' HG22 ' A' ' 597' ' ' ILE . 3.1 p30 -96.11 -49.04 5.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 74.319999999999993 109.258 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 599' ' ' LYS . . . . . 0.556 ' HE3' ' CD2' ' A' ' 601' ' ' PHE . 0.0 OUTLIER -107.04 141.27 38.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 71.310000000000002 109.338 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 600' ' ' VAL . . . . . . . . . . . . . 16.7 t -104.49 152.86 6.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 64.129999999999995 109.309 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 601' ' ' PHE . . . . . 0.556 ' CD2' ' HE3' ' A' ' 599' ' ' LYS . 26.0 m-85 -119.88 167.3 12.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 74.120000000000005 111.042 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 602' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 603' ' ' ASP . 0.0 OUTLIER -106.96 -52.47 2.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 75.319999999999993 109.287 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 603' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 602' ' ' LYS . 37.1 m-20 -40.31 -41.88 1.43 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 72.319999999999993 109.307 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 604' ' ' TRP . . . . . 0.769 ' CE3' HG11 ' A' ' 572' ' ' VAL . 0.5 OUTLIER -157.16 165.55 35.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 71.239999999999995 108.024 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 605' ' ' LYS . . . . . . . . . . . . . 14.9 ptmt -105.45 156.08 36.93 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 74.239999999999995 109.351 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 606' ' ' PRO . . . . . 0.437 ' CB ' HG13 ' A' ' 597' ' ' ILE . 18.3 Cg_endo -75.0 175.0 11.82 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.465 1.771 . . . . 71.430000000000007 110.967 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 607' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 622' ' ' GLN . . . -136.97 -95.87 0.42 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.474 1.109 . . . . 62.329999999999998 110.988 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 608' ' ' GLY . . . . . 0.504 ' HA3' HG13 ' A' ' 590' ' ' VAL . . . -158.34 147.71 15.88 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 111.023 -0.831 . . . . 65.310000000000002 111.023 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 47.4 t -56.91 123.59 8.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.447 0.734 . . . . 74.340000000000003 109.303 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 610' ' ' ILE . . . . . 0.561 HG23 ' CD1' ' A' ' 588' ' ' TYR . 0.9 OUTLIER -91.2 144.67 8.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 70.409999999999997 109.318 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.31 133.55 33.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 73.120000000000005 109.983 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 612' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 616' ' ' GLY . 21.8 t -60.43 116.28 4.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 75.530000000000001 108.268 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 12.5 ttt180 -71.25 -25.22 62.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 71.340000000000003 110.323 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 614' ' ' ASN . . . . . 0.486 ' ND2' HG22 ' A' ' 561' ' ' VAL . 95.8 m-20 -67.38 -32.31 73.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 71.340000000000003 109.253 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 615' ' ' CYS . . . . . 0.438 ' N ' ' SG ' ' A' ' 559' ' ' CYS . 0.8 OUTLIER -133.96 -73.76 0.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 72.340000000000003 108.266 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 616' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 153.58 -20.81 0.71 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.483 1.114 . . . . 65.420000000000002 110.986 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -42.27 104.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 0.79 . . . . 61.130000000000003 110.289 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 98.4 t -54.4 131.32 16.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 60.240000000000002 109.26 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 619' ' ' TRP . . . . . 0.721 ' CE2' ' HE3' ' A' ' 638' ' ' MET . 50.7 m0 -90.71 -53.26 4.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 74.310000000000002 108.0 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 620' ' ' GLY . . . . . . . . . . . . . . . 179.54 -107.44 0.22 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.548 1.155 . . . . 55.130000000000003 110.981 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 621' ' ' LEU . . . . . 0.8 ' C ' HD23 ' A' ' 621' ' ' LEU . 0.0 OUTLIER -157.34 161.38 39.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 0.761 . . . . 72.510000000000005 109.275 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 622' ' ' GLN . . . . . 0.416 ' O ' ' N ' ' A' ' 607' ' ' GLY . 0.1 OUTLIER -89.54 137.67 32.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 62.32 110.345 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 623' ' ' MET . . . . . 0.715 ' HG2' HD21 ' A' ' 621' ' ' LEU . 4.4 mmt -124.77 132.4 53.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 44.399999999999999 110.996 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 624' ' ' ILE . . . . . 0.419 ' N ' HD12 ' A' ' 624' ' ' ILE . 5.4 mp -103.12 145.49 12.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 73.519999999999996 109.293 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 625' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -153.79 107.84 3.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 75.030000000000001 111.007 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 626' ' ' LYS . . . . . 0.555 ' HB2' ' CE1' ' A' ' 664' ' ' PHE . 1.2 mmpt? 69.73 18.89 7.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.145 . . . . 64.299999999999997 109.31 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 627' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.2 p 85.66 40.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 74.209999999999994 109.993 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 628' ' ' VAL . . . . . 0.885 HG12 ' HG ' ' A' ' 630' ' ' LEU . 47.3 t -129.68 113.12 26.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 74.219999999999999 109.256 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm -72.37 99.38 2.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 74.510000000000005 109.298 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 630' ' ' LEU . . . . . 0.885 ' HG ' HG12 ' A' ' 628' ' ' VAL . 17.4 mt -114.62 111.85 45.97 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 74.450000000000003 109.307 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 631' ' ' PRO . . . . . 0.651 ' HB2' HD11 ' A' ' 633' ' ' LEU . 18.3 Cg_endo -74.96 137.34 21.68 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.506 1.793 . . . . 61.240000000000002 111.012 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 632' ' ' VAL . . . . . 0.861 ' HA ' HG12 ' A' ' 578' ' ' VAL . 57.8 t -99.96 98.37 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 74.209999999999994 109.294 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 633' ' ' LEU . . . . . 0.763 ' N ' HD13 ' A' ' 633' ' ' LEU . 0.1 OUTLIER -99.42 171.75 7.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 63.329999999999998 109.31 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 634' ' ' LYS . . . . . 0.703 ' HZ1' ' HD2' ' A' ' 636' ' ' ARG . 0.5 OUTLIER -114.37 -170.87 1.81 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 73.310000000000002 109.269 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 635' ' ' VAL . . . . . 0.779 HG13 ' CE2' ' A' ' 652' ' ' TRP . 0.2 OUTLIER -106.24 -44.1 7.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.429 1.08 . . . . 74.120000000000005 109.298 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 636' ' ' ARG . . . . . 0.784 ' O ' HD13 ' A' ' 557' ' ' ILE . 3.3 ptt180 -62.84 -12.39 24.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 60.25 110.327 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 1.9 t -106.87 -17.58 14.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 75.420000000000002 110.001 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 638' ' ' MET . . . . . 0.721 ' HE3' ' CE2' ' A' ' 619' ' ' TRP . 34.4 mmt -106.99 134.24 50.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.148 . . . . 65.420000000000002 110.981 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 639' ' ' LEU . . . . . 0.717 HD12 ' H ' ' A' ' 640' ' ' LEU . 12.1 tp -96.46 138.67 33.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 73.099999999999994 109.367 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 640' ' ' LEU . . . . . 0.717 ' H ' HD12 ' A' ' 639' ' ' LEU . 20.4 mt -107.65 91.68 3.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.132 . . . . 75.420000000000002 109.319 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . 0.856 ' HB2' HD11 ' A' ' 555' ' ' LEU . 6.2 mt-10 -74.07 122.83 23.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 75.099999999999994 110.285 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 642' ' ' THR . . . . . 0.498 HG21 HD12 ' A' ' 647' ' ' ILE . 0.1 OUTLIER -133.93 159.65 71.61 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 73.200000000000003 110.434 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 1.2 8.03 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.503 1.791 . . . . 75.510000000000005 111.027 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 644' ' ' GLN . . . . . 0.43 ' NE2' ' O ' ' A' ' 546' ' ' GLN . 13.2 mt-30 -111.05 -1.98 16.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 73.439999999999998 110.337 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 120.96 136.51 5.1 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.539 1.15 . . . . 72.209999999999994 110.999 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 646' ' ' ARG . . . . . 0.661 ' CD ' HD21 ' A' ' 639' ' ' LEU . 7.4 mtp180 -53.37 148.0 9.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 0.767 . . . . 60.340000000000003 110.289 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 647' ' ' ILE . . . . . 0.498 HD12 HG21 ' A' ' 642' ' ' THR . 12.6 mt -136.42 121.43 26.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 74.239999999999995 109.324 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 648' ' ' GLN . . . . . 0.48 HE21 HD12 ' A' ' 557' ' ' ILE . 0.8 OUTLIER -114.75 110.1 19.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 75.450000000000003 110.281 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 649' ' ' ALA . . . . . . . . . . . . . . . -114.94 162.15 17.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 70.420000000000002 109.323 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 650' ' ' LYS . . . . . 0.534 ' C ' HG23 ' A' ' 635' ' ' VAL . 22.1 mttp -111.09 -14.06 13.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 53.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 651' ' ' LYS . . . . . 0.458 ' CB ' ' NH1' ' A' ' 654' ' ' ARG . 20.9 mmmt -121.88 128.38 51.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 62.119999999999997 109.292 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 652' ' ' TRP . . . . . 0.779 ' CE2' HG13 ' A' ' 635' ' ' VAL . 59.5 m95 -65.29 -19.91 66.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 72.310000000000002 108.03 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 2.7 t -66.48 -16.57 64.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 73.140000000000001 109.991 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 654' ' ' ARG . . . . . 0.458 ' NH1' ' CB ' ' A' ' 651' ' ' LYS . 10.0 mmt-85 -103.09 -25.31 13.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 73.340000000000003 110.287 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 655' ' ' VAL . . . . . 0.713 HG13 ' CD2' ' A' ' 657' ' ' PHE . 2.1 t -40.08 133.05 1.51 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 73.519999999999996 109.325 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 656' ' ' PRO . . . . . 0.553 ' HD2' HD13 ' A' ' 640' ' ' LEU . 18.4 Cg_endo -75.03 -55.17 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.508 1.794 . . . . 51.340000000000003 111.007 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 657' ' ' PHE . . . . . 0.906 ' CE1' HG22 ' A' ' 659' ' ' VAL . 20.5 p90 -60.5 148.62 37.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 72.049999999999997 110.98 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.95 147.76 27.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 73.400000000000006 110.028 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 659' ' ' VAL . . . . . 0.906 HG22 ' CE1' ' A' ' 657' ' ' PHE . 1.5 t -125.59 103.55 28.36 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 64.450000000000003 109.261 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 660' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 147.01 33.38 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.506 1.792 . . . . 74.400000000000006 111.039 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 661' ' ' ASP . . . . . 0.426 ' HA ' ' O ' ' A' ' 571' ' ' LYS . 11.7 m-20 -69.26 140.83 54.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 74.129999999999995 109.289 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 662' ' ' PHE . . . . . 0.499 ' CE2' HD21 ' A' ' 630' ' ' LEU . 5.2 t80 -64.74 123.09 18.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 71.219999999999999 111.005 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 663' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -100.12 116.97 33.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 72.120000000000005 109.325 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 664' ' ' PHE . . . . . 0.555 ' CE1' ' HB2' ' A' ' 626' ' ' LYS . 41.0 t80 -73.82 -14.34 61.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 53.100000000000001 110.982 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 8.8 mt -84.58 -41.85 16.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 72.129999999999995 109.319 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 666' ' ' GLN . . . . . 0.43 ' O ' ' N ' ' A' ' 670' ' ' GLU . 11.6 tt0 -82.88 -55.48 4.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 74.129999999999995 110.301 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 667' ' ' HIS . . . . . 0.974 ' CE1' HG11 ' A' ' 580' ' ' VAL . 6.3 t-80 -47.77 -36.75 12.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 73.530000000000001 109.587 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 668' ' ' CYS . . . . . . . . . . . . . 41.3 t -71.87 -46.13 58.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 60.149999999999999 108.311 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -68.89 -11.47 60.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 63.109999999999999 109.29 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 670' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 666' ' ' GLN . 9.4 mt-10 -84.49 -34.17 23.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 64.510000000000005 110.315 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -91.69 -26.53 18.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 53.219999999999999 109.319 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 3.2 mt -91.97 -56.11 3.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.569 1.168 . . . . 73.439999999999998 109.264 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 2.3 m 64.89 18.03 11.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 73.140000000000001 110.008 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -59.69 -24.45 63.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 73.409999999999997 109.304 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 675' ' ' LEU . . . . . 0.425 HD12 ' HA ' ' A' ' 675' ' ' LEU . 0.0 OUTLIER -65.54 -72.44 0.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 65.510000000000005 109.257 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 676' ' ' SER . . . . . . . . . . . . . 69.0 m -166.7 153.69 9.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 50.229999999999997 110.009 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 677' ' ' LEU . . . . . 0.615 HD12 ' N ' ' A' ' 677' ' ' LEU . 1.8 mp -87.0 -66.53 0.9 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 71.040000000000006 109.292 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 16.4 t70 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 71.329999999999998 109.3 -179.988 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 679' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 111.017 -0.833 . . . . 73.030000000000001 111.017 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -176.46 2.9 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.469 1.773 . . . . 54.25 111.0 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 24.2 m-70 -104.67 132.08 51.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 72.200000000000003 109.637 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 545' ' ' MET . . . . . . . . . . . . . 30.4 mmm -92.8 49.08 1.41 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 73.230000000000004 111.0 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 546' ' ' GLN . . . . . 0.543 ' C ' ' CD1' ' A' ' 547' ' ' PHE . 0.1 OUTLIER -116.74 136.79 52.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 72.409999999999997 110.346 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 547' ' ' PHE . . . . . 0.543 ' CD1' ' C ' ' A' ' 546' ' ' GLN . 2.4 m-85 -151.66 103.4 2.88 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 74.329999999999998 111.001 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 548' ' ' PRO . . . . . 0.441 ' HB2' ' CG ' ' A' ' 550' ' ' GLU . 18.2 Cg_endo -75.04 139.24 23.95 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.462 1.769 . . . . 64.400000000000006 110.958 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 549' ' ' VAL . . . . . 0.612 HG12 ' HB2' ' A' ' 657' ' ' PHE . 29.0 m -49.07 -41.93 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 73.239999999999995 109.344 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 550' ' ' GLU . . . . . 0.441 ' CG ' ' HB2' ' A' ' 548' ' ' PRO . 1.7 pt-20 -54.51 -34.39 61.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 62.140000000000001 110.253 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -83.86 -19.26 35.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 62.310000000000002 109.626 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 552' ' ' VAL . . . . . 0.673 HG21 ' HB3' ' A' ' 657' ' ' PHE . 41.3 t -93.46 129.77 43.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 73.230000000000004 109.323 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 553' ' ' GLN . . . . . 0.631 ' O ' HD12 ' A' ' 555' ' ' LEU . 12.8 tt0 -119.15 140.89 49.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 71.409999999999997 110.295 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 554' ' ' LEU . . . . . 1.005 HD11 HD23 ' A' ' 569' ' ' LEU . 0.9 OUTLIER -82.56 112.28 19.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 71.319999999999993 109.336 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 555' ' ' LEU . . . . . 0.631 HD12 ' O ' ' A' ' 553' ' ' GLN . 0.3 OUTLIER -133.07 179.77 5.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 62.32 109.266 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 556' ' ' CYS . . . . . 0.533 ' O ' ' N ' ' A' ' 560' ' ' MET . 5.1 t -104.57 101.63 11.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 114.983 -1.008 . . . . 72.530000000000001 110.963 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 557' ' ' ILE . . . . . 0.952 HD13 ' O ' ' A' ' 636' ' ' ARG . 1.5 pt -31.94 -37.95 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 74.25 109.27 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 558' ' ' ASN . . . . . 0.518 ' N ' ' O ' ' A' ' 556' ' ' CYS . 2.7 m120 -74.95 -62.04 1.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 75.450000000000003 109.261 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 559' ' ' CYS . . . . . 0.468 ' O ' ' HB2' ' A' ' 560' ' ' MET . 3.2 m -73.97 -70.74 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 74.420000000000002 108.338 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 560' ' ' MET . . . . . 0.533 ' N ' ' O ' ' A' ' 556' ' ' CYS . 28.5 mtm 77.47 41.63 0.14 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 55.43 111.022 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 561' ' ' VAL . . . . . 0.682 ' O ' ' HB3' ' A' ' 562' ' ' ALA . 1.0 OUTLIER -105.8 -2.16 9.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 53.210000000000001 109.276 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 562' ' ' ALA . . . . . 0.682 ' HB3' ' O ' ' A' ' 561' ' ' VAL . . . 84.46 102.96 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 75.340000000000003 109.293 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 563' ' ' VAL . . . . . 0.642 HG12 ' CD1' ' A' ' 587' ' ' TYR . 0.9 OUTLIER -102.91 -6.4 9.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 51.32 109.298 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -177.45 -162.07 27.02 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.447 1.092 . . . . 55.409999999999997 111.011 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 565' ' ' HIS . . . . . . . . . . . . . 14.5 m-70 -126.41 148.64 49.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 0.765 . . . . 63.520000000000003 109.632 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . -73.21 -10.35 78.26 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.51 1.131 . . . . 74.549999999999997 110.983 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -113.83 8.93 17.49 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.485 0.756 . . . . 55.340000000000003 109.986 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -106.43 -18.41 13.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 74.140000000000001 109.317 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 569' ' ' LEU . . . . . 1.005 HD23 HD11 ' A' ' 554' ' ' LEU . 0.1 OUTLIER -90.42 164.2 14.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 64.129999999999995 109.356 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 570' ' ' ARG . . . . . 0.44 ' CB ' ' HA ' ' A' ' 662' ' ' PHE . 13.7 mmt180 -142.29 -172.94 3.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 71.310000000000002 110.288 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 571' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 660' ' ' PRO . 17.0 ttmt -116.93 118.81 33.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 75.349999999999994 109.34 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 572' ' ' VAL . . . . . 0.999 HG23 HG21 ' A' ' 578' ' ' VAL . 2.4 t -77.78 112.73 16.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 63.420000000000002 109.251 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 573' ' ' GLU . . . . . 0.591 ' HG2' HG12 ' A' ' 572' ' ' VAL . 9.8 pt-20 46.52 34.01 2.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 72.319999999999993 110.332 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 44.49 39.63 5.88 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.5 1.125 . . . . 63.340000000000003 110.995 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 575' ' ' THR . . . . . 0.405 ' CB ' ' HG3' ' A' ' 573' ' ' GLU . 11.1 m -109.9 -50.64 2.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 0.745 . . . . 74.310000000000002 110.411 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 33.8 m80 -149.38 131.62 15.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 70.519999999999996 109.612 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 577' ' ' HIS . . . . . 0.712 ' CD2' ' CD2' ' A' ' 652' ' ' TRP . 11.1 m-70 -57.71 143.36 42.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 73.150000000000006 109.618 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 578' ' ' VAL . . . . . 0.999 HG21 HG23 ' A' ' 572' ' ' VAL . 15.6 m -149.67 130.98 4.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 63.520000000000003 109.324 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 579' ' ' ASN . . . . . 0.459 ' HA ' ' CB ' ' A' ' 569' ' ' LEU . 6.8 t-20 -95.44 129.61 42.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 64.409999999999997 109.34 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 580' ' ' VAL . . . . . 0.608 HG13 HD23 ' A' ' 630' ' ' LEU . 2.5 t -107.68 130.3 60.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 75.430000000000007 109.283 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 581' ' ' ASN . . . . . 0.43 ' ND2' ' HD2' ' A' ' 582' ' ' PRO . 4.3 t30 176.29 142.66 0.23 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 71.200000000000003 109.32 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 582' ' ' PRO . . . . . 0.43 ' HD2' ' ND2' ' A' ' 581' ' ' ASN . 18.2 Cg_endo -75.04 -42.52 0.49 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.503 1.791 . . . . 71.340000000000003 110.967 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 583' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -59.43 -16.32 22.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 75.439999999999998 109.292 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 584' ' ' PHE . . . . . 0.523 ' O ' ' CD2' ' A' ' 588' ' ' TYR . 1.5 t80 -63.37 -36.13 82.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 73.209999999999994 111.014 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 5.3 t -58.89 -27.52 65.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 73.439999999999998 110.003 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -87.38 -11.97 47.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 52.130000000000003 109.298 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 587' ' ' TYR . . . . . 0.642 ' CD1' HG12 ' A' ' 563' ' ' VAL . 2.4 m-85 -97.56 7.22 46.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 54.109999999999999 110.962 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 588' ' ' TYR . . . . . 0.875 ' CD1' HG23 ' A' ' 610' ' ' ILE . 1.2 p90 -168.51 159.1 10.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 73.150000000000006 110.978 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 589' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -130.38 130.74 44.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 63.32 109.32 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 590' ' ' VAL . . . . . 0.637 HG13 ' HA3' ' A' ' 608' ' ' GLY . 21.3 t -72.46 134.46 29.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 70.140000000000001 109.306 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 591' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 592' ' ' ARG . 98.8 p -60.28 138.99 57.84 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.123 . . . . 64.109999999999999 109.991 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 592' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 591' ' ' SER . 0.0 OUTLIER -35.93 -56.65 0.71 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 1.11 . . . . 71.129999999999995 110.287 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -42.85 150.29 0.45 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 72.219999999999999 109.308 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -90.25 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.496 1.787 . . . . 52.119999999999997 110.976 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 14.5 t -104.35 130.54 54.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 72.439999999999998 109.283 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 596' ' ' VAL . . . . . . . . . . . . . 2.0 t -135.96 82.27 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 72.219999999999999 109.331 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 597' ' ' ILE . . . . . 0.481 ' CG2' ' N ' ' A' ' 598' ' ' ASN . 1.3 mt -144.55 162.75 14.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 72.099999999999994 109.349 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 598' ' ' ASN . . . . . 0.481 ' N ' ' CG2' ' A' ' 597' ' ' ILE . 26.6 m120 -52.97 -59.64 4.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 70.420000000000002 109.314 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 599' ' ' LYS . . . . . 0.551 ' HD3' ' CZ ' ' A' ' 601' ' ' PHE . 0.0 OUTLIER -147.67 176.86 9.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 75.409999999999997 109.276 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 600' ' ' VAL . . . . . 0.404 ' N ' ' HG2' ' A' ' 599' ' ' LYS . 2.2 t -94.84 152.47 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.108 . . . . 71.239999999999995 109.324 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 601' ' ' PHE . . . . . 0.551 ' CZ ' ' HD3' ' A' ' 599' ' ' LYS . 21.6 m-85 -125.43 168.19 13.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 73.439999999999998 110.996 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 5.0 mptt -97.07 -52.03 4.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 72.5 109.296 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -41.23 -38.37 1.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.57 1.169 . . . . 73.209999999999994 109.301 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 604' ' ' TRP . . . . . 0.687 ' CZ3' HG11 ' A' ' 572' ' ' VAL . 0.5 OUTLIER -157.33 163.39 38.71 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.122 . . . . 74.519999999999996 108.009 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 605' ' ' LYS . . . . . 0.99 ' NZ ' HD13 ' A' ' 624' ' ' ILE . 7.4 ptmm? -109.83 157.49 37.53 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 60.43 109.297 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 606' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 176.24 10.17 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.473 1.775 . . . . 74.329999999999998 110.988 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 607' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 622' ' ' GLN . . . -141.0 -108.78 0.74 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.493 1.121 . . . . 73.299999999999997 110.998 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 608' ' ' GLY . . . . . 0.637 ' HA3' HG13 ' A' ' 590' ' ' VAL . . . -146.75 149.8 21.99 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.961 -0.856 . . . . 51.329999999999998 110.961 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 609' ' ' VAL . . . . . 0.485 HG13 ' O ' ' A' ' 620' ' ' GLY . 11.8 t -56.72 126.12 13.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.457 0.74 . . . . 64.010000000000005 109.332 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 610' ' ' ILE . . . . . 0.875 HG23 ' CD1' ' A' ' 588' ' ' TYR . 0.9 OUTLIER -96.23 157.5 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 71.140000000000001 109.332 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -158.35 119.56 3.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 63.25 109.996 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 612' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 616' ' ' GLY . 11.8 t -44.74 117.92 1.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 74.420000000000002 108.328 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 2.4 ttt-85 -71.16 -24.86 62.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 74.010000000000005 110.303 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 614' ' ' ASN . . . . . 0.536 ' ND2' HG22 ' A' ' 561' ' ' VAL . 69.3 m-20 -67.89 -37.53 81.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 71.340000000000003 109.283 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 615' ' ' CYS . . . . . 0.441 ' SG ' ' N ' ' A' ' 559' ' ' CYS . 1.4 m -123.11 -73.86 0.63 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 72.430000000000007 108.317 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 616' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 148.26 -18.22 1.35 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.542 1.151 . . . . 73.140000000000001 110.991 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -43.04 103.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 0.756 . . . . 73.310000000000002 110.338 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 24.9 t -49.53 120.99 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 71.200000000000003 109.305 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 619' ' ' TRP . . . . . 0.728 ' CE2' ' HE3' ' A' ' 638' ' ' MET . 38.7 m0 -80.74 -43.08 20.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 74.409999999999997 107.998 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 620' ' ' GLY . . . . . 0.485 ' O ' HG13 ' A' ' 609' ' ' VAL . . . 161.01 -100.68 0.19 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.475 1.109 . . . . 52.509999999999998 110.999 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 621' ' ' LEU . . . . . 0.644 HD22 ' C ' ' A' ' 621' ' ' LEU . 0.0 OUTLIER -160.77 159.07 29.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 0.788 . . . . 74.150000000000006 109.258 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 622' ' ' GLN . . . . . 0.476 ' N ' HD22 ' A' ' 621' ' ' LEU . 0.3 OUTLIER -93.16 147.16 23.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 75.219999999999999 110.29 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 623' ' ' MET . . . . . 0.603 ' SD ' ' CZ2' ' A' ' 604' ' ' TRP . 12.1 mtp -132.9 139.7 47.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 73.5 110.951 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 624' ' ' ILE . . . . . 0.99 HD13 ' NZ ' ' A' ' 605' ' ' LYS . 4.9 mp -108.1 147.05 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 73.230000000000004 109.308 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 625' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -150.65 120.48 7.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 72.409999999999997 111.008 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 626' ' ' LYS . . . . . 0.521 ' O ' ' CB ' ' A' ' 627' ' ' SER . 0.0 OUTLIER 58.54 17.71 5.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 74.040000000000006 109.269 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 627' ' ' SER . . . . . 0.521 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.2 p 86.42 38.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 72.129999999999995 109.959 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 628' ' ' VAL . . . . . 0.859 HG12 ' HG ' ' A' ' 630' ' ' LEU . 46.8 t -127.33 109.27 20.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.12 . . . . 72.549999999999997 109.334 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 3.0 mmmm -64.07 99.19 0.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 65.040000000000006 109.309 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 630' ' ' LEU . . . . . 0.859 ' HG ' HG12 ' A' ' 628' ' ' VAL . 25.9 mt -118.47 111.54 38.02 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 74.530000000000001 109.319 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 631' ' ' PRO . . . . . 0.436 ' HB2' HD11 ' A' ' 633' ' ' LEU . 18.3 Cg_endo -74.98 165.95 30.24 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.475 1.776 . . . . 72.120000000000005 111.027 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 632' ' ' VAL . . . . . 0.804 ' C ' HD13 ' A' ' 633' ' ' LEU . 15.7 t -131.36 102.37 6.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 73.129999999999995 109.332 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 633' ' ' LEU . . . . . 0.806 ' N ' HD13 ' A' ' 633' ' ' LEU . 0.0 OUTLIER -102.85 171.21 7.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.47 1.106 . . . . 45.5 109.327 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 634' ' ' LYS . . . . . 0.487 ' CD ' ' O ' ' A' ' 619' ' ' TRP . 4.8 mtpt -99.31 -172.54 2.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 71.329999999999998 109.317 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 635' ' ' VAL . . . . . 0.69 HG21 HG23 ' A' ' 655' ' ' VAL . 9.0 p -109.61 -19.86 6.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 71.120000000000005 109.319 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 636' ' ' ARG . . . . . 0.952 ' O ' HD13 ' A' ' 557' ' ' ILE . 0.8 OUTLIER -84.65 -29.34 25.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 71.540000000000006 110.284 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 1.9 t -88.07 -9.39 53.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 71.200000000000003 110.022 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 638' ' ' MET . . . . . 0.728 ' HE3' ' CE2' ' A' ' 619' ' ' TRP . 32.7 mmt -109.95 127.95 55.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 74.010000000000005 111.015 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 639' ' ' LEU . . . . . 0.868 HD12 ' H ' ' A' ' 640' ' ' LEU . 6.2 tp -96.13 150.09 20.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 74.019999999999996 109.333 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 640' ' ' LEU . . . . . 0.868 ' H ' HD12 ' A' ' 639' ' ' LEU . 13.8 mt -117.23 100.23 7.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 73.010000000000005 109.266 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . 0.527 ' HB2' HD11 ' A' ' 555' ' ' LEU . 4.6 mt-10 -74.09 129.55 38.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 73.430000000000007 110.308 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 642' ' ' THR . . . . . 0.735 HG21 HD12 ' A' ' 647' ' ' ILE . 7.6 p -137.93 158.86 70.58 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 63.409999999999997 110.423 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -18.18 18.92 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.517 1.798 . . . . 75.099999999999994 111.016 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 644' ' ' GLN . . . . . 0.437 ' NE2' ' O ' ' A' ' 546' ' ' GLN . 5.9 mt-30 -91.41 -5.79 53.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 72.400000000000006 110.311 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 125.06 126.63 3.04 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.532 1.145 . . . . 60.32 111.0 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 646' ' ' ARG . . . . . 0.436 ' HB2' ' NH1' ' A' ' 646' ' ' ARG . 3.0 mtp-105 -42.1 151.61 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 0.77 . . . . 71.010000000000005 110.306 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 647' ' ' ILE . . . . . 0.735 HD12 HG21 ' A' ' 642' ' ' THR . 10.6 mt -136.27 137.45 48.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 43.520000000000003 109.302 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 648' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -135.57 112.63 10.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 71.420000000000002 110.285 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 649' ' ' ALA . . . . . 0.459 ' CB ' ' HB2' ' A' ' 654' ' ' ARG . . . -106.34 177.17 4.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.555 1.16 . . . . 74.430000000000007 109.282 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 35.6 mttt -110.85 -18.55 13.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 70.049999999999997 109.293 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 651' ' ' LYS . . . . . 0.674 ' CA ' HG11 ' A' ' 635' ' ' VAL . 0.0 OUTLIER -137.19 142.73 42.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 74.209999999999994 109.288 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 652' ' ' TRP . . . . . 0.712 ' CD2' ' CD2' ' A' ' 577' ' ' HIS . 36.2 m95 -59.61 -17.98 37.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 75.420000000000002 107.986 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 4.9 m -62.66 -13.14 28.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 63.450000000000003 109.946 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 654' ' ' ARG . . . . . 0.459 ' HB2' ' CB ' ' A' ' 649' ' ' ALA . 16.1 mmt-85 -107.31 -25.02 11.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 62.039999999999999 110.271 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 655' ' ' VAL . . . . . 0.751 HG13 ' CD2' ' A' ' 657' ' ' PHE . 2.3 t -41.64 125.66 2.41 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 74.450000000000003 109.321 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 656' ' ' PRO . . . . . 0.682 ' HD2' HD13 ' A' ' 640' ' ' LEU . 18.5 Cg_endo -74.95 -50.36 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.516 1.798 . . . . 74.549999999999997 111.028 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 657' ' ' PHE . . . . . 0.951 ' CE1' HG22 ' A' ' 659' ' ' VAL . 18.2 p90 -63.01 149.09 45.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 43.439999999999998 111.002 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 658' ' ' SER . . . . . 0.401 ' O ' HG11 ' A' ' 549' ' ' VAL . 0.7 OUTLIER -84.1 145.57 28.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 71.409999999999997 109.999 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 659' ' ' VAL . . . . . 0.951 HG22 ' CE1' ' A' ' 657' ' ' PHE . 1.8 t -121.76 101.61 42.47 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 72.430000000000007 109.27 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 660' ' ' PRO . . . . . 0.426 ' O ' ' N ' ' A' ' 571' ' ' LYS . 18.3 Cg_endo -75.0 149.87 37.3 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.52 1.8 . . . . 64.120000000000005 111.015 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 661' ' ' ASP . . . . . 0.423 ' HA ' ' O ' ' A' ' 571' ' ' LYS . 11.2 p-10 -61.28 145.24 52.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 60.450000000000003 109.341 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 662' ' ' PHE . . . . . 0.765 ' CE2' ' CD2' ' A' ' 667' ' ' HIS . 24.7 t80 -58.25 109.41 0.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 51.140000000000001 110.999 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 663' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -69.36 100.46 1.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 43.549999999999997 109.28 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 664' ' ' PHE . . . . . 0.504 ' CE1' ' SG ' ' A' ' 668' ' ' CYS . 32.6 t80 -66.62 -26.24 66.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 72.430000000000007 110.988 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 665' ' ' LEU . . . . . 0.493 HD23 ' N ' ' A' ' 665' ' ' LEU . 4.0 mt -71.51 -56.1 6.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.152 . . . . 70.340000000000003 109.338 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 12.2 tp60 -61.31 -51.97 66.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.572 1.17 . . . . 75.340000000000003 110.305 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 667' ' ' HIS . . . . . 0.765 ' CD2' ' CE2' ' A' ' 662' ' ' PHE . 60.3 m-70 -52.87 -37.2 60.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 72.219999999999999 109.571 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 668' ' ' CYS . . . . . 0.504 ' SG ' ' CE1' ' A' ' 664' ' ' PHE . 11.6 m -74.59 -31.24 61.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.113 . . . . 72.109999999999999 108.301 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 669' ' ' ALA . . . . . 0.902 ' O ' HD21 ' A' ' 675' ' ' LEU . . . -73.62 -11.57 60.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 52.520000000000003 109.336 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 670' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -115.74 -9.45 11.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 71.230000000000004 110.3 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -101.64 -16.82 16.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 74.530000000000001 109.324 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 14.2 mt -94.86 -176.26 3.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 70.129999999999995 109.326 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 1.9 m -101.77 9.81 40.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 75.140000000000001 110.008 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -48.27 -28.2 2.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 72.239999999999995 109.303 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 675' ' ' LEU . . . . . 0.902 HD21 ' O ' ' A' ' 669' ' ' ALA . 1.0 OUTLIER -73.66 -68.41 0.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 74.420000000000002 109.346 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 676' ' ' SER . . . . . . . . . . . . . 98.0 p -150.09 142.08 23.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 75.129999999999995 110.029 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 15.6 mt -81.48 -50.5 9.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 63.439999999999998 109.314 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 5.4 t70 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 73.109999999999999 109.282 179.986 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 679' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 111.015 -0.834 . . . . 73.25 111.015 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 148.01 34.56 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.533 1.807 . . . . 55.32 111.034 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 16.9 m80 -107.22 159.6 16.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 72.109999999999999 109.627 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 545' ' ' MET . . . . . . . . . . . . . 37.6 mtp -77.9 78.63 4.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 74.319999999999993 110.974 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 546' ' ' GLN . . . . . 0.54 ' C ' ' CD1' ' A' ' 547' ' ' PHE . 9.7 mt-30 -132.88 132.59 42.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 44.140000000000001 110.254 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 547' ' ' PHE . . . . . 0.623 ' N ' ' CD1' ' A' ' 547' ' ' PHE . 0.1 OUTLIER -149.18 104.78 3.34 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 75.349999999999994 110.982 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 548' ' ' PRO . . . . . 0.438 ' HB2' ' CG ' ' A' ' 550' ' ' GLU . 18.3 Cg_endo -74.95 137.74 22.24 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.445 1.761 . . . . 75.030000000000001 111.035 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 549' ' ' VAL . . . . . 0.474 HG12 ' HB2' ' A' ' 657' ' ' PHE . 35.5 m -48.59 -40.09 10.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.088 . . . . 54.439999999999998 109.305 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 550' ' ' GLU . . . . . 0.438 ' CG ' ' HB2' ' A' ' 548' ' ' PRO . 1.9 pt-20 -58.06 -34.76 70.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 74.420000000000002 110.292 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 8.8 m170 -82.96 -16.1 48.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 71.209999999999994 109.602 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 552' ' ' VAL . . . . . 0.856 HG21 ' HB3' ' A' ' 657' ' ' PHE . 70.5 t -95.09 130.96 43.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 74.209999999999994 109.283 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 553' ' ' GLN . . . . . 0.411 ' HG3' ' O ' ' A' ' 564' ' ' GLY . 7.8 tt0 -118.71 151.27 38.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 73.209999999999994 110.332 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 554' ' ' LEU . . . . . 0.774 HD11 HD23 ' A' ' 569' ' ' LEU . 1.3 mt -93.91 114.61 26.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 51.5 109.343 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 555' ' ' LEU . . . . . 0.999 HD12 ' O ' ' A' ' 639' ' ' LEU . 0.2 OUTLIER -134.16 177.16 7.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 73.219999999999999 109.296 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 556' ' ' CYS . . . . . 0.539 ' O ' ' N ' ' A' ' 560' ' ' MET . 5.4 t -104.98 103.0 12.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 114.999 -1.001 . . . . 52.43 110.904 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 557' ' ' ILE . . . . . 0.478 ' C ' ' O ' ' A' ' 556' ' ' CYS . 1.4 pt -34.87 -34.38 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.117 . . . . 71.239999999999995 109.31 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 558' ' ' ASN . . . . . 0.503 ' N ' ' O ' ' A' ' 556' ' ' CYS . 3.1 m120 -76.4 -62.58 1.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 75.519999999999996 109.312 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 559' ' ' CYS . . . . . 0.456 ' O ' ' HB2' ' A' ' 560' ' ' MET . 3.6 m -75.42 -68.97 0.51 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 65.219999999999999 108.283 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 560' ' ' MET . . . . . 0.539 ' N ' ' O ' ' A' ' 556' ' ' CYS . 26.7 mtm 77.23 47.18 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 65.140000000000001 111.032 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 561' ' ' VAL . . . . . 0.653 ' O ' ' HB3' ' A' ' 562' ' ' ALA . 1.0 OUTLIER -113.33 -0.25 9.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 65.329999999999998 109.325 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 562' ' ' ALA . . . . . 0.653 ' HB3' ' O ' ' A' ' 561' ' ' VAL . . . 81.65 102.16 0.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.543 1.152 . . . . 73.340000000000003 109.27 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 563' ' ' VAL . . . . . 0.606 HG12 ' CD1' ' A' ' 587' ' ' TYR . 2.2 m -99.88 -4.09 9.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 63.329999999999998 109.275 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 564' ' ' GLY . . . . . 0.411 ' O ' ' HG3' ' A' ' 553' ' ' GLN . . . 177.88 -159.08 24.59 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.521 1.138 . . . . 74.230000000000004 111.007 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 565' ' ' HIS . . . . . . . . . . . . . 61.9 m80 -126.45 149.18 49.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 0.766 . . . . 74.430000000000007 109.587 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 566' ' ' GLY . . . . . 0.473 ' O ' HD11 ' A' ' 569' ' ' LEU . . . -72.85 -18.01 78.69 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.462 1.101 . . . . 72.040000000000006 110.973 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 8.9 t -101.54 13.26 35.5 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 0.763 . . . . 70.329999999999998 110.04 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -115.03 -9.83 12.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 65.200000000000003 109.287 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 569' ' ' LEU . . . . . 0.774 HD23 HD11 ' A' ' 554' ' ' LEU . 0.2 OUTLIER -89.99 165.17 14.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 45.409999999999997 109.281 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 570' ' ' ARG . . . . . . . . . . . . . 26.1 mmt180 -142.21 -172.76 3.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 72.329999999999998 110.363 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 571' ' ' LYS . . . . . 0.573 ' HE2' ' CE1' ' A' ' 577' ' ' HIS . 17.0 ttmt -129.41 116.05 18.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.553 1.158 . . . . 72.319999999999993 109.298 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 572' ' ' VAL . . . . . 1.033 HG23 HG21 ' A' ' 578' ' ' VAL . 2.3 t -77.83 110.07 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 63.539999999999999 109.357 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 573' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 38.76 39.43 0.34 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 73.150000000000006 110.297 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 41.73 49.2 5.04 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.437 1.086 . . . . 64.409999999999997 111.016 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 575' ' ' THR . . . . . 0.42 ' O ' ' CG ' ' A' ' 576' ' ' HIS . 1.2 m -111.71 -49.1 3.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 0.769 . . . . 72.209999999999994 110.389 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 576' ' ' HIS . . . . . 0.771 ' O ' HG13 ' A' ' 578' ' ' VAL . 37.3 m80 -157.05 111.75 2.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 73.310000000000002 109.556 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 577' ' ' HIS . . . . . 1.035 ' CD2' HG11 ' A' ' 659' ' ' VAL . 4.5 m80 -39.92 120.62 1.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 72.120000000000005 109.601 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 578' ' ' VAL . . . . . 1.033 HG21 HG23 ' A' ' 572' ' ' VAL . 15.1 m -121.97 108.41 21.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 70.200000000000003 109.253 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 579' ' ' ASN . . . . . 0.483 ' HA ' ' CB ' ' A' ' 569' ' ' LEU . 1.2 t-20 -79.7 108.35 13.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 64.420000000000002 109.309 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 580' ' ' VAL . . . . . 0.925 HG11 ' CE1' ' A' ' 667' ' ' HIS . 3.3 t -82.66 145.31 8.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 73.150000000000006 109.275 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 581' ' ' ASN . . . . . 0.481 ' OD1' ' N ' ' A' ' 584' ' ' PHE . 11.3 t-20 170.71 124.66 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 53.340000000000003 109.297 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 582' ' ' PRO . . . . . 0.431 ' HD2' ' ND2' ' A' ' 581' ' ' ASN . 18.4 Cg_endo -75.02 -24.55 12.68 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.518 1.799 . . . . 75.120000000000005 111.006 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 583' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -85.72 9.08 17.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 63.539999999999999 109.326 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 584' ' ' PHE . . . . . 0.797 ' CZ ' ' CZ3' ' A' ' 619' ' ' TRP . 1.4 t80 -84.64 -24.15 29.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.547 1.154 . . . . 74.109999999999999 111.025 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 9.1 p -61.0 -28.69 69.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 43.030000000000001 110.008 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -87.24 -8.63 56.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 63.409999999999997 109.295 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 587' ' ' TYR . . . . . 0.606 ' CD1' HG12 ' A' ' 563' ' ' VAL . 4.2 m-85 -101.86 4.92 40.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 74.030000000000001 110.963 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 588' ' ' TYR . . . . . 0.858 ' CD1' HG23 ' A' ' 610' ' ' ILE . 1.3 p90 -169.82 158.48 7.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 73.140000000000001 110.988 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 589' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 -129.87 132.03 46.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 74.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 590' ' ' VAL . . . . . 0.608 HG13 ' HA3' ' A' ' 608' ' ' GLY . 8.1 t -72.45 134.74 29.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 75.140000000000001 109.292 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 31.2 t -56.36 174.7 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 71.420000000000002 109.96 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 56.1 ttm-85 -74.44 -41.04 61.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.148 . . . . 73.099999999999994 110.299 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.21 147.52 90.87 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 71.310000000000002 109.316 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -89.72 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.513 1.796 . . . . 45.219999999999999 110.979 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 55.0 t -102.66 129.03 54.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 53.350000000000001 109.292 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 596' ' ' VAL . . . . . . . . . . . . . 2.7 t -136.92 77.5 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 53.200000000000003 109.342 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 597' ' ' ILE . . . . . 0.462 ' CG2' ' N ' ' A' ' 598' ' ' ASN . 2.1 mt -147.51 161.58 7.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 63.119999999999997 109.28 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 598' ' ' ASN . . . . . 0.462 ' N ' ' CG2' ' A' ' 597' ' ' ILE . 35.1 t-20 -44.45 -62.13 1.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 71.530000000000001 109.33 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 599' ' ' LYS . . . . . 0.413 ' HG2' ' N ' ' A' ' 600' ' ' VAL . 0.0 OUTLIER -147.27 177.57 9.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 62.32 109.311 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 600' ' ' VAL . . . . . 0.649 HG13 ' HD3' ' A' ' 606' ' ' PRO . 3.5 t -101.13 142.2 16.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 73.140000000000001 109.298 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 601' ' ' PHE . . . . . 0.401 ' CD1' ' N ' ' A' ' 601' ' ' PHE . 13.9 m-85 -110.12 164.46 12.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 74.310000000000002 111.02 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 9.1 mptt -88.13 -44.83 10.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 54.130000000000003 109.263 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -42.31 -41.28 2.74 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.105 . . . . 74.329999999999998 109.276 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 604' ' ' TRP . . . . . 0.595 ' CE3' HG11 ' A' ' 572' ' ' VAL . 0.5 OUTLIER -157.14 165.65 35.41 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.979 -1.119 . . . . 63.310000000000002 107.979 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 605' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.16 153.28 47.29 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 64.530000000000001 109.285 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 606' ' ' PRO . . . . . 0.649 ' HD3' HG13 ' A' ' 600' ' ' VAL . 18.3 Cg_endo -74.98 161.44 38.8 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.492 1.785 . . . . 64.040000000000006 111.036 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 607' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 622' ' ' GLN . . . -127.39 -87.75 0.6 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.517 1.136 . . . . 63.039999999999999 110.981 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 608' ' ' GLY . . . . . 0.608 ' HA3' HG13 ' A' ' 590' ' ' VAL . . . -157.52 144.46 10.61 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.994 -0.842 . . . . 74.140000000000001 110.994 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 45.8 t -55.41 129.33 16.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 72.549999999999997 109.319 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 610' ' ' ILE . . . . . 0.858 HG23 ' CD1' ' A' ' 588' ' ' TYR . 0.8 OUTLIER -95.84 146.93 6.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.508 1.13 . . . . 71.120000000000005 109.304 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -146.08 122.86 11.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.095 . . . . 74.409999999999997 109.986 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 612' ' ' CYS . . . . . 0.456 ' O ' ' N ' ' A' ' 616' ' ' GLY . 17.8 t -49.57 120.09 3.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.1 . . . . 63.109999999999999 108.29 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 11.4 ttt-85 -71.79 -24.73 61.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 75.340000000000003 110.309 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 614' ' ' ASN . . . . . 0.518 ' ND2' HG22 ' A' ' 561' ' ' VAL . 91.5 m-20 -69.29 -32.03 70.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 75.319999999999993 109.304 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 615' ' ' CYS . . . . . 0.443 ' SG ' ' N ' ' A' ' 559' ' ' CYS . 0.8 OUTLIER -130.35 -74.76 0.54 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 63.25 108.299 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 616' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 149.0 -18.63 1.22 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.566 1.166 . . . . 75.409999999999997 111.004 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -42.79 102.38 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 0.777 . . . . 73.549999999999997 110.295 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 92.2 t -49.62 112.43 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 52.210000000000001 109.31 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 619' ' ' TRP . . . . . 0.797 ' CZ3' ' CZ ' ' A' ' 584' ' ' PHE . 30.3 m0 -69.16 -54.45 14.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 63.409999999999997 107.973 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 620' ' ' GLY . . . . . . . . . . . . . . . -179.62 -102.94 0.17 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.518 1.136 . . . . 74.239999999999995 110.986 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 621' ' ' LEU . . . . . 0.782 HD22 ' C ' ' A' ' 621' ' ' LEU . 0.0 OUTLIER -163.46 154.06 16.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 0.771 . . . . 60.420000000000002 109.315 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 622' ' ' GLN . . . . . 0.674 ' N ' HD22 ' A' ' 621' ' ' LEU . 0.0 OUTLIER -85.58 132.82 34.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 71.129999999999995 110.313 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 623' ' ' MET . . . . . 0.753 ' HG2' HD21 ' A' ' 621' ' ' LEU . 3.2 mmt -124.37 149.28 46.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 73.129999999999995 110.978 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 624' ' ' ILE . . . . . 0.708 ' N ' HD12 ' A' ' 624' ' ' ILE . 3.4 mp -119.38 132.83 68.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 72.120000000000005 109.302 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 625' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -135.71 124.9 24.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 73.540000000000006 110.984 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 626' ' ' LYS . . . . . 0.514 ' CE ' ' HA ' ' A' ' 626' ' ' LYS . 0.1 OUTLIER 55.71 19.27 3.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.435 1.084 . . . . 73.0 109.271 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 627' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.1 p 85.17 38.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 72.530000000000001 109.975 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 628' ' ' VAL . . . . . 0.888 HG11 ' CZ ' ' A' ' 662' ' ' PHE . 53.2 t -126.68 122.61 61.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 72.099999999999994 109.263 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 8.1 mmmm -71.79 96.52 1.65 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 75.25 109.288 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 630' ' ' LEU . . . . . 0.839 ' HG ' HG12 ' A' ' 628' ' ' VAL . 20.7 mt -121.58 111.3 33.2 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 73.510000000000005 109.3 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 631' ' ' PRO . . . . . 0.745 ' HB2' HD21 ' A' ' 633' ' ' LEU . 18.4 Cg_endo -74.95 156.38 43.23 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.497 1.788 . . . . 73.409999999999997 111.028 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 632' ' ' VAL . . . . . 0.929 ' C ' HD23 ' A' ' 633' ' ' LEU . 84.0 t -113.13 105.27 18.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 74.430000000000007 109.322 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 633' ' ' LEU . . . . . 0.929 HD23 ' C ' ' A' ' 632' ' ' VAL . 0.4 OUTLIER -109.6 171.65 7.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 63.100000000000001 109.325 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 634' ' ' LYS . . . . . 0.472 ' C ' ' CZ2' ' A' ' 652' ' ' TRP . 0.0 OUTLIER -112.7 -178.17 3.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 73.450000000000003 109.274 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 635' ' ' VAL . . . . . 0.993 HG11 ' C ' ' A' ' 651' ' ' LYS . 5.9 p -107.56 5.25 9.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.113 . . . . 34.450000000000003 109.239 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 636' ' ' ARG . . . . . 0.466 ' HG3' ' CE ' ' A' ' 634' ' ' LYS . 3.6 ptt180 -111.85 1.65 16.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 62.340000000000003 110.294 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 58.9 m -120.32 -4.79 9.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 71.200000000000003 109.979 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 638' ' ' MET . . . . . 0.581 ' HE3' ' CE2' ' A' ' 619' ' ' TRP . 30.1 mmt -114.55 148.51 37.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 55.530000000000001 111.017 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 639' ' ' LEU . . . . . 0.999 ' O ' HD12 ' A' ' 555' ' ' LEU . 4.1 tp -114.23 129.97 56.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 55.409999999999997 109.303 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 640' ' ' LEU . . . . . 0.711 HD13 ' HD2' ' A' ' 656' ' ' PRO . 12.8 mt -99.38 99.95 10.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 72.049999999999997 109.295 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . 0.691 ' HB2' HD11 ' A' ' 555' ' ' LEU . 5.3 mt-10 -73.74 120.5 19.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.103 . . . . 74.239999999999995 110.257 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 642' ' ' THR . . . . . 0.881 HG21 HD12 ' A' ' 647' ' ' ILE . 0.3 OUTLIER -128.56 160.11 64.35 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 54.219999999999999 110.424 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 3.29 5.77 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.48 1.779 . . . . 62.100000000000001 110.976 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -115.62 -0.76 12.9 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.548 1.155 . . . . 73.349999999999994 110.313 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 118.65 129.56 4.02 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.551 1.157 . . . . 55.229999999999997 110.955 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 646' ' ' ARG . . . . . 0.556 ' HB3' HD11 ' A' ' 639' ' ' LEU . 0.1 OUTLIER -45.13 142.61 1.88 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 0.766 . . . . 65.319999999999993 110.3 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 647' ' ' ILE . . . . . 0.881 HD12 HG21 ' A' ' 642' ' ' THR . 13.3 mt -122.1 136.75 57.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 75.510000000000005 109.312 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 648' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -134.07 112.52 11.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 72.230000000000004 110.284 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 649' ' ' ALA . . . . . 0.434 ' CB ' ' HB2' ' A' ' 654' ' ' ARG . . . -111.53 179.85 3.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 32.43 109.295 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 650' ' ' LYS . . . . . 0.416 ' C ' ' CG1' ' A' ' 635' ' ' VAL . 30.3 mttt -112.02 -23.96 10.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 71.219999999999999 109.288 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 651' ' ' LYS . . . . . 0.993 ' C ' HG11 ' A' ' 635' ' ' VAL . 0.6 OUTLIER -124.85 143.79 50.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 73.530000000000001 109.313 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 652' ' ' TRP . . . . . 0.78 ' CE3' ' CD2' ' A' ' 577' ' ' HIS . 72.6 m95 -64.54 -16.05 61.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.167 . . . . 64.129999999999995 107.989 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 4.7 m -65.43 -10.86 37.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 65.519999999999996 109.967 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 654' ' ' ARG . . . . . 0.434 ' HB2' ' CB ' ' A' ' 649' ' ' ALA . 11.0 mmt180 -103.48 -27.35 12.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 62.549999999999997 110.334 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 655' ' ' VAL . . . . . 0.88 HG23 HG21 ' A' ' 635' ' ' VAL . 2.4 t -40.31 123.59 1.73 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.132 . . . . 65.049999999999997 109.272 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 656' ' ' PRO . . . . . 0.711 ' HD2' HD13 ' A' ' 640' ' ' LEU . 18.3 Cg_endo -74.98 -48.66 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.479 1.779 . . . . 74.439999999999998 111.014 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 657' ' ' PHE . . . . . 1.116 ' CE1' HG22 ' A' ' 659' ' ' VAL . 19.0 p90 -64.15 148.25 50.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 74.040000000000006 111.004 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.11 138.27 39.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 72.420000000000002 110.012 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 659' ' ' VAL . . . . . 1.116 HG22 ' CE1' ' A' ' 657' ' ' PHE . 2.5 t -118.57 99.77 51.37 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 73.25 109.29 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 660' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 147.32 33.65 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.487 1.782 . . . . 63.310000000000002 110.999 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 661' ' ' ASP . . . . . 0.422 ' HA ' ' O ' ' A' ' 571' ' ' LYS . 0.5 OUTLIER -75.15 145.58 42.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 72.019999999999996 109.26 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 662' ' ' PHE . . . . . 0.888 ' CZ ' HG11 ' A' ' 628' ' ' VAL . 27.0 t80 -61.22 141.24 57.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 72.109999999999999 110.978 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 663' ' ' ASP . . . . . 0.448 ' OD2' ' N ' ' A' ' 663' ' ' ASP . 0.1 OUTLIER -133.06 89.86 2.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 75.340000000000003 109.293 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 664' ' ' PHE . . . . . 0.498 ' O ' ' CB ' ' A' ' 668' ' ' CYS . 16.1 t80 -42.09 -38.31 1.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 75.209999999999994 111.031 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 9.3 mt -48.46 -59.51 3.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 72.430000000000007 109.305 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 666' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 669' ' ' ALA . 16.5 tp60 -75.44 -56.09 5.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 53.329999999999998 110.326 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 667' ' ' HIS . . . . . 0.925 ' CE1' HG11 ' A' ' 580' ' ' VAL . 4.8 t-80 -44.28 -27.84 0.46 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 73.340000000000003 109.627 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 668' ' ' CYS . . . . . 0.498 ' CB ' ' O ' ' A' ' 664' ' ' PHE . 49.8 t -88.18 -42.58 12.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 61.329999999999998 108.277 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 669' ' ' ALA . . . . . 0.642 ' O ' HD23 ' A' ' 675' ' ' LEU . . . -66.1 -11.46 49.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 53.329999999999998 109.312 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 670' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -114.61 -2.14 13.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 74.140000000000001 110.309 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 671' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 667' ' ' HIS . 1.1 m-80 -110.84 -14.78 13.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 72.430000000000007 109.338 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 19.5 mt -102.93 -176.05 2.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 74.420000000000002 109.298 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 70.3 m -118.09 3.05 12.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 74.319999999999993 109.994 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -49.87 -25.11 2.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.44 1.087 . . . . 74.439999999999998 109.252 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 675' ' ' LEU . . . . . 0.642 HD23 ' O ' ' A' ' 669' ' ' ALA . 1.4 mm? -89.62 -45.34 9.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 64.129999999999995 109.305 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 676' ' ' SER . . . . . . . . . . . . . 30.7 m -173.94 144.0 0.99 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 72.25 109.978 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 10.9 mt -62.26 -52.6 63.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 74.510000000000005 109.283 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 50.9 t0 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 73.519999999999996 109.338 179.972 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 679' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 111.014 -0.834 . . . . 41.310000000000002 111.014 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -88.33 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.45 1.763 . . . . 61.310000000000002 110.995 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 544' ' ' HIS . . . . . 0.413 ' O ' ' N ' ' A' ' 546' ' ' GLN . 29.8 m170 54.21 52.3 12.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 74.099999999999994 109.588 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 545' ' ' MET . . . . . 0.512 ' O ' ' CE2' ' A' ' 547' ' ' PHE . 2.9 mpp? -60.53 83.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.082 . . . . 71.230000000000004 110.963 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 546' ' ' GLN . . . . . 0.538 ' O ' ' CG ' ' A' ' 547' ' ' PHE . 1.3 pt20 -80.72 168.42 18.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 72.230000000000004 110.269 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 547' ' ' PHE . . . . . 0.538 ' CG ' ' O ' ' A' ' 546' ' ' GLN . 94.6 m-85 -162.55 94.53 1.21 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 72.120000000000005 110.977 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 548' ' ' PRO . . . . . 0.45 ' HB2' ' CG ' ' A' ' 550' ' ' GLU . 18.3 Cg_endo -74.98 134.96 18.5 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.527 1.804 . . . . 71.030000000000001 111.022 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 549' ' ' VAL . . . . . 0.551 HG12 ' HB2' ' A' ' 657' ' ' PHE . 31.4 m -47.83 -41.38 8.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 64.120000000000005 109.26 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 550' ' ' GLU . . . . . 0.45 ' CG ' ' HB2' ' A' ' 548' ' ' PRO . 2.7 pt-20 -55.95 -35.94 67.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 73.310000000000002 110.288 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 14.6 m170 -82.98 -26.0 31.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 73.310000000000002 109.604 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 552' ' ' VAL . . . . . 0.614 HG21 ' HB3' ' A' ' 657' ' ' PHE . 55.9 t -87.16 120.63 36.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 72.209999999999994 109.29 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 553' ' ' GLN . . . . . 0.545 HE21 HD21 ' A' ' 555' ' ' LEU . 16.9 tt0 -112.26 142.94 44.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 64.530000000000001 110.297 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 554' ' ' LEU . . . . . 0.962 HD11 HD23 ' A' ' 569' ' ' LEU . 2.0 mt -83.22 113.95 21.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 74.120000000000005 109.301 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 555' ' ' LEU . . . . . 0.822 HD23 ' CA ' ' A' ' 562' ' ' ALA . 0.3 OUTLIER -132.8 179.78 5.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.09 . . . . 72.430000000000007 109.307 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 556' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 559' ' ' CYS . 14.0 t -107.94 105.19 14.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.005 -0.998 . . . . 50.549999999999997 110.895 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 557' ' ' ILE . . . . . 0.956 ' HA ' HD23 ' A' ' 639' ' ' LEU . 1.2 pt -37.81 -32.91 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.51 1.131 . . . . 41.039999999999999 109.289 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 558' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 556' ' ' CYS . 8.7 m-20 -83.33 -48.32 10.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 63.119999999999997 109.317 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 559' ' ' CYS . . . . . 0.619 ' O ' HG13 ' A' ' 561' ' ' VAL . 0.5 OUTLIER -123.3 70.05 1.03 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 73.5 108.283 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 560' ' ' MET . . . . . 0.459 ' N ' ' O ' ' A' ' 556' ' ' CYS . 6.5 mtm -63.27 71.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 55.109999999999999 111.009 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 561' ' ' VAL . . . . . 0.619 HG13 ' O ' ' A' ' 559' ' ' CYS . 0.9 OUTLIER -112.58 2.89 8.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.122 . . . . 72.439999999999998 109.3 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 562' ' ' ALA . . . . . 0.822 ' CA ' HD23 ' A' ' 555' ' ' LEU . . . 75.22 105.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 65.140000000000001 109.29 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 563' ' ' VAL . . . . . 0.682 HG12 ' CD1' ' A' ' 587' ' ' TYR . 1.6 m -104.36 -7.98 9.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 74.040000000000006 109.317 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -176.18 -161.81 25.94 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.479 1.112 . . . . 54.130000000000003 111.014 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 565' ' ' HIS . . . . . . . . . . . . . 27.5 m80 -126.76 146.85 50.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 0.737 . . . . 75.219999999999999 109.597 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . -72.96 -9.12 75.31 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.549 1.156 . . . . 63.509999999999998 111.026 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 9.4 t -108.98 10.48 26.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 0.765 . . . . 73.040000000000006 109.992 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -111.4 -26.74 8.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 70.040000000000006 109.292 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 569' ' ' LEU . . . . . 0.962 HD23 HD11 ' A' ' 554' ' ' LEU . 0.1 OUTLIER -78.54 165.7 23.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 63.340000000000003 109.344 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 570' ' ' ARG . . . . . 0.422 ' CG ' ' O ' ' A' ' 569' ' ' LEU . 6.0 mtt85 -163.78 151.27 12.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.095 . . . . 75.450000000000003 110.242 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 571' ' ' LYS . . . . . 0.562 ' HE2' ' CE1' ' A' ' 577' ' ' HIS . 13.8 ttmt -74.32 158.79 33.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 75.049999999999997 109.265 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 572' ' ' VAL . . . . . 0.523 HG23 HG22 ' A' ' 578' ' ' VAL . 2.9 t -98.58 99.73 9.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.535 1.147 . . . . 75.099999999999994 109.302 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 573' ' ' GLU . . . . . 0.449 ' CG ' ' O ' ' A' ' 572' ' ' VAL . 10.5 pt-20 45.66 25.55 0.27 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.524 1.14 . . . . 75.019999999999996 110.326 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 574' ' ' GLY . . . . . 0.404 ' N ' ' C ' ' A' ' 572' ' ' VAL . . . 75.49 41.08 30.97 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.496 1.123 . . . . 33.200000000000003 111.05 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 575' ' ' THR . . . . . 0.413 ' N ' ' O ' ' A' ' 572' ' ' VAL . 21.9 m -113.6 -74.91 0.61 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 0.794 . . . . 72.129999999999995 110.437 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 19.0 m80 -126.0 177.59 6.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 74.299999999999997 109.579 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 577' ' ' HIS . . . . . 0.948 ' CD2' HG11 ' A' ' 659' ' ' VAL . 25.8 m80 -100.98 128.11 47.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 75.319999999999993 109.631 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 578' ' ' VAL . . . . . 0.623 HG12 HG22 ' A' ' 632' ' ' VAL . 16.0 m -142.29 111.29 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 64.400000000000006 109.334 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 579' ' ' ASN . . . . . 0.489 ' HA ' ' CB ' ' A' ' 569' ' ' LEU . 1.9 t-20 -81.14 110.82 17.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 74.510000000000005 109.316 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 580' ' ' VAL . . . . . 0.88 HG22 HD22 ' A' ' 630' ' ' LEU . 2.7 t -79.21 137.63 21.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.538 1.149 . . . . 53.210000000000001 109.296 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 581' ' ' ASN . . . . . 0.442 ' CB ' ' HB2' ' A' ' 584' ' ' PHE . 3.0 m120 177.46 129.39 0.2 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 62.539999999999999 109.262 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 582' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -30.74 6.81 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.523 1.802 . . . . 73.439999999999998 111.025 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 583' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -82.3 -1.79 50.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 65.239999999999995 109.335 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 584' ' ' PHE . . . . . 0.476 ' CE1' ' OD1' ' A' ' 579' ' ' ASN . 3.4 t80 -70.94 -32.76 69.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 63.299999999999997 111.022 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 585' ' ' SER . . . . . 0.522 ' HA ' ' CE2' ' A' ' 588' ' ' TYR . 30.7 t -60.37 -23.76 64.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 64.319999999999993 110.015 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -87.41 -12.79 45.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.57 1.169 . . . . 75.530000000000001 109.32 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 587' ' ' TYR . . . . . 0.682 ' CD1' HG12 ' A' ' 563' ' ' VAL . 5.0 m-85 -97.88 7.65 46.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 71.310000000000002 111.004 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 588' ' ' TYR . . . . . 0.838 ' CD1' HG23 ' A' ' 610' ' ' ILE . 1.1 p90 -166.72 158.92 13.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 72.430000000000007 110.979 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 589' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -127.55 129.29 47.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 73.299999999999997 109.276 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 590' ' ' VAL . . . . . 0.683 HG23 ' HE1' ' A' ' 588' ' ' TYR . 10.0 t -72.43 135.15 28.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 31.350000000000001 109.294 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 4.7 m -50.15 171.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 75.299999999999997 109.98 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 33.0 ttt-85 -63.01 -56.27 18.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 65.420000000000002 110.275 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.02 148.71 69.72 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 75.099999999999994 109.295 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 594' ' ' PRO . . . . . 0.404 ' O ' ' O ' ' A' ' 607' ' ' GLY . 18.5 Cg_endo -74.91 -89.89 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.507 1.793 . . . . 73.430000000000007 111.004 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 4.0 t -105.45 129.16 58.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 75.219999999999999 109.319 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 596' ' ' VAL . . . . . . . . . . . . . 2.1 t -135.35 91.26 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 34.25 109.316 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 597' ' ' ILE . . . . . 0.685 HD11 ' CD2' ' A' ' 621' ' ' LEU . 3.0 mm -139.56 153.63 23.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 73.439999999999998 109.269 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 598' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -68.71 -47.28 66.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 72.439999999999998 109.32 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 599' ' ' LYS . . . . . 0.502 ' HE2' ' CD2' ' A' ' 601' ' ' PHE . 0.1 OUTLIER -135.66 130.71 34.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 53.240000000000002 109.304 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 600' ' ' VAL . . . . . . . . . . . . . 4.3 t -85.4 156.52 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 72.140000000000001 109.315 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 601' ' ' PHE . . . . . 0.502 ' CD2' ' HE2' ' A' ' 599' ' ' LYS . 7.8 m-85 -120.02 166.34 13.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 73.510000000000005 110.97 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 602' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 603' ' ' ASP . 43.7 mmtt -101.39 -50.28 3.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 74.430000000000007 109.267 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 603' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 602' ' ' LYS . 1.3 m-20 -40.52 -41.73 1.5 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 74.439999999999998 109.284 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 604' ' ' TRP . . . . . 0.526 ' CZ3' ' SD ' ' A' ' 623' ' ' MET . 0.6 OUTLIER -157.15 139.63 14.83 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.956 -1.127 . . . . 74.230000000000004 107.956 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 605' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -94.33 153.59 40.49 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 64.310000000000002 109.275 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 606' ' ' PRO . . . . . 0.403 ' O ' ' CD1' ' A' ' 624' ' ' ILE . 18.3 Cg_endo -74.98 -162.53 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.549 1.816 . . . . 74.209999999999994 111.016 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 607' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 622' ' ' GLN . . . -148.82 -110.78 0.57 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.494 1.121 . . . . 73.239999999999995 111.001 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 608' ' ' GLY . . . . . 0.415 ' O ' ' HA ' ' A' ' 621' ' ' LEU . . . -143.37 158.81 27.39 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.975 -0.85 . . . . 72.299999999999997 110.975 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 76.6 t -64.27 127.8 25.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.533 0.784 . . . . 63.420000000000002 109.313 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 610' ' ' ILE . . . . . 0.838 HG23 ' CD1' ' A' ' 588' ' ' TYR . 0.8 OUTLIER -97.33 156.81 3.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 74.150000000000006 109.274 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -155.89 128.35 7.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 62.329999999999998 110.002 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 612' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 616' ' ' GLY . 17.0 t -54.9 119.58 5.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 71.329999999999998 108.276 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -74.3 -27.5 60.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 75.519999999999996 110.328 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 614' ' ' ASN . . . . . 0.571 ' ND2' HG22 ' A' ' 561' ' ' VAL . 82.6 m-20 -61.25 -28.09 68.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 64.25 109.291 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 615' ' ' CYS . . . . . . . . . . . . . 1.8 m -138.41 -73.02 0.4 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 71.329999999999998 108.293 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 616' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 153.48 -19.58 0.7 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.465 1.103 . . . . 64.409999999999997 111.033 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -41.95 105.55 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 0.739 . . . . 62.0 110.34 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 24.9 t -52.02 138.61 9.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 72.450000000000003 109.287 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 619' ' ' TRP . . . . . 0.756 ' CE2' ' HE3' ' A' ' 638' ' ' MET . 40.7 m0 -98.85 -46.28 5.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 71.5 108.021 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 620' ' ' GLY . . . . . . . . . . . . . . . 164.45 -101.57 0.19 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.481 1.113 . . . . 44.43 110.951 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 621' ' ' LEU . . . . . 0.702 ' C ' HD12 ' A' ' 621' ' ' LEU . 0.4 OUTLIER -158.25 168.63 26.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 0.772 . . . . 52.210000000000001 109.321 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 622' ' ' GLN . . . . . 0.487 ' OE1' ' CE ' ' A' ' 629' ' ' LYS . 0.5 OUTLIER -100.65 136.4 40.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 74.439999999999998 110.289 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 623' ' ' MET . . . . . 0.734 ' HG3' HG21 ' A' ' 632' ' ' VAL . 5.7 mmt -121.77 136.48 54.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 70.140000000000001 111.008 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 624' ' ' ILE . . . . . 0.403 ' CD1' ' O ' ' A' ' 606' ' ' PRO . 4.7 mp -108.17 144.64 16.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 73.540000000000006 109.295 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 625' ' ' TYR . . . . . 0.563 ' C ' ' CD1' ' A' ' 625' ' ' TYR . 0.1 OUTLIER -147.57 106.43 3.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 74.299999999999997 110.99 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 626' ' ' LYS . . . . . 0.502 ' O ' ' CB ' ' A' ' 627' ' ' SER . 0.8 OUTLIER 67.47 22.7 9.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 72.400000000000006 109.297 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 627' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.2 p 85.15 37.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 54.109999999999999 110.027 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 628' ' ' VAL . . . . . 0.758 ' CG1' HD21 ' A' ' 630' ' ' LEU . 53.8 t -121.93 110.63 27.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 63.039999999999999 109.295 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 629' ' ' LYS . . . . . 0.487 ' CE ' ' OE1' ' A' ' 622' ' ' GLN . 4.9 mmmm -71.61 100.37 2.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 73.120000000000005 109.295 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 630' ' ' LEU . . . . . 0.88 HD22 HG22 ' A' ' 580' ' ' VAL . 41.8 mt -118.11 111.83 38.47 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 70.329999999999998 109.304 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 631' ' ' PRO . . . . . 0.737 ' HB2' HD11 ' A' ' 633' ' ' LEU . 18.4 Cg_endo -74.97 134.65 18.13 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.561 1.822 . . . . 73.25 111.013 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 632' ' ' VAL . . . . . 0.944 ' C ' HD13 ' A' ' 633' ' ' LEU . 20.4 t -98.72 106.95 19.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 75.519999999999996 109.319 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 633' ' ' LEU . . . . . 0.944 HD13 ' C ' ' A' ' 632' ' ' VAL . 0.0 OUTLIER -110.11 171.74 7.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.125 . . . . 62.020000000000003 109.278 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 634' ' ' LYS . . . . . 0.49 ' CD ' ' O ' ' A' ' 619' ' ' TRP . 5.5 mtpt -100.43 -173.77 2.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 65.239999999999995 109.293 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 635' ' ' VAL . . . . . 0.912 HG11 ' C ' ' A' ' 651' ' ' LYS . 9.2 p -106.8 -30.75 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 65.329999999999998 109.295 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 636' ' ' ARG . . . . . 0.721 ' O ' HD13 ' A' ' 557' ' ' ILE . 7.9 ptt180 -82.77 -0.74 49.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 74.230000000000004 110.26 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 16.2 t -111.77 -13.46 13.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 75.430000000000007 109.986 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 638' ' ' MET . . . . . 0.756 ' HE3' ' CE2' ' A' ' 619' ' ' TRP . 32.3 mmt -109.01 125.5 52.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 63.299999999999997 110.962 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 639' ' ' LEU . . . . . 0.956 HD23 ' HA ' ' A' ' 557' ' ' ILE . 0.0 OUTLIER -88.16 134.38 33.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 73.0 109.287 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 640' ' ' LEU . . . . . 0.554 HD21 ' HE1' ' A' ' 657' ' ' PHE . 0.1 OUTLIER -106.32 96.18 6.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 70.239999999999995 109.313 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . 0.811 ' HB2' HD11 ' A' ' 555' ' ' LEU . 4.7 mt-10 -73.29 125.19 27.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 73.120000000000005 110.322 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 642' ' ' THR . . . . . 0.692 HG21 HD12 ' A' ' 647' ' ' ILE . 0.1 OUTLIER -135.33 160.28 68.61 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 72.310000000000002 110.364 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 2.26 6.85 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.506 1.793 . . . . 74.349999999999994 110.982 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -108.71 -10.26 15.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 73.430000000000007 110.273 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 125.29 140.1 5.34 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.528 1.143 . . . . 74.019999999999996 111.017 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 49.5 mtm-85 -46.09 153.16 0.33 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 0.747 . . . . 73.329999999999998 110.264 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 647' ' ' ILE . . . . . 0.692 HD12 HG21 ' A' ' 642' ' ' THR . 49.2 mt -139.07 126.08 25.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 60.229999999999997 109.337 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 648' ' ' GLN . . . . . 0.732 ' HG3' HD22 ' A' ' 639' ' ' LEU . 0.0 OUTLIER -125.41 95.83 4.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 74.019999999999996 110.26 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 649' ' ' ALA . . . . . . . . . . . . . . . -88.2 178.28 6.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 74.439999999999998 109.299 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 60.7 mttt -110.76 -24.43 10.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 71.430000000000007 109.305 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 651' ' ' LYS . . . . . 0.912 ' C ' HG11 ' A' ' 635' ' ' VAL . 2.0 mppt? -133.67 160.11 38.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 71.439999999999998 109.267 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 652' ' ' TRP . . . . . 0.814 ' HA ' HG23 ' A' ' 655' ' ' VAL . 63.8 m95 -74.39 -5.88 44.96 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.981 -1.118 . . . . 75.120000000000005 107.981 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 9.0 t -70.56 -16.97 62.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 65.099999999999994 110.001 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 654' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 655' ' ' VAL . 6.5 mmm180 -100.53 -15.15 17.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 75.340000000000003 110.265 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 655' ' ' VAL . . . . . 0.814 HG23 ' HA ' ' A' ' 652' ' ' TRP . 5.2 t -39.98 116.5 1.2 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 63.43 109.29 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 656' ' ' PRO . . . . . 0.481 ' HD2' HD23 ' A' ' 640' ' ' LEU . 18.3 Cg_endo -75.01 -40.63 0.83 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.49 1.784 . . . . 75.140000000000001 110.985 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 657' ' ' PHE . . . . . 1.013 ' CE2' HG22 ' A' ' 659' ' ' VAL . 38.8 p90 -75.07 155.92 36.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 63.039999999999999 111.017 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 1.4 m -81.53 141.63 33.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 74.319999999999993 110.007 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 659' ' ' VAL . . . . . 1.013 HG22 ' CE2' ' A' ' 657' ' ' PHE . 1.9 t -129.63 95.27 29.99 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 73.400000000000006 109.323 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 660' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 147.83 34.34 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.532 1.806 . . . . 63.130000000000003 110.995 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 661' ' ' ASP . . . . . 0.439 ' OD2' ' N ' ' A' ' 661' ' ' ASP . 0.9 OUTLIER -73.05 158.92 34.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 43.140000000000001 109.294 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 662' ' ' PHE . . . . . 0.519 ' CZ ' ' CG ' ' A' ' 667' ' ' HIS . 4.6 t80 -73.06 122.12 21.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 75.420000000000002 111.019 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 663' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 666' ' ' GLN . 6.9 m-20 -120.6 98.65 6.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 71.340000000000003 109.314 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 664' ' ' PHE . . . . . 0.484 ' O ' ' CB ' ' A' ' 668' ' ' CYS . 8.9 t80 -37.59 -37.9 0.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 72.409999999999997 110.995 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 13.6 mt -60.46 -53.41 57.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 62.509999999999998 109.352 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 666' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 669' ' ' ALA . 18.3 tp60 -68.45 -60.8 2.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 65.340000000000003 110.295 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 667' ' ' HIS . . . . . 0.519 ' CG ' ' CZ ' ' A' ' 662' ' ' PHE . 3.7 t60 -46.56 -25.82 0.77 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 62.149999999999999 109.618 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 668' ' ' CYS . . . . . 0.484 ' CB ' ' O ' ' A' ' 664' ' ' PHE . 17.3 t -82.86 -43.21 16.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 54.32 108.272 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 669' ' ' ALA . . . . . 0.679 ' CB ' HD23 ' A' ' 675' ' ' LEU . . . -70.53 -11.5 60.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 72.540000000000006 109.276 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 670' ' ' GLU . . . . . 0.417 ' OE2' ' NH2' ' A' ' 570' ' ' ARG . 12.7 mt-10 -84.95 -23.42 28.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 64.209999999999994 110.306 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 671' ' ' ASN . . . . . 0.433 ' C ' HD23 ' A' ' 672' ' ' LEU . 4.5 m-80 -101.74 -30.81 11.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 74.409999999999997 109.331 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 672' ' ' LEU . . . . . 0.433 HD23 ' C ' ' A' ' 671' ' ' ASN . 3.1 mt -97.29 -58.16 2.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 74.150000000000006 109.286 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 1.3 m 65.46 20.79 11.78 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.545 1.153 . . . . 71.120000000000005 109.965 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -72.02 -15.07 62.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 64.439999999999998 109.272 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 675' ' ' LEU . . . . . 0.699 ' H ' HD22 ' A' ' 675' ' ' LEU . 0.2 OUTLIER -84.25 -67.42 0.8 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 74.049999999999997 109.32 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 676' ' ' SER . . . . . . . . . . . . . 36.4 m -167.49 152.22 6.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 51.549999999999997 110.003 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 677' ' ' LEU . . . . . 0.608 HD12 ' N ' ' A' ' 677' ' ' LEU . 1.7 mp -87.59 -55.68 3.68 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.147 . . . . 74.120000000000005 109.27 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 9.8 t70 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 74.219999999999999 109.332 -179.98 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 679' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 111.004 -0.838 . . . . 51.119999999999997 111.004 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -87.86 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.515 1.797 . . . . 61.310000000000002 110.992 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 11.1 m-70 -81.37 150.73 28.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 73.209999999999994 109.555 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 545' ' ' MET . . . . . . . . . . . . . 27.1 mtp -108.3 75.94 1.01 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 72.409999999999997 111.026 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 546' ' ' GLN . . . . . 0.513 ' C ' ' CD1' ' A' ' 547' ' ' PHE . 2.3 pt20 -115.94 159.63 21.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 75.439999999999998 110.317 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 547' ' ' PHE . . . . . 0.642 ' N ' ' CD1' ' A' ' 547' ' ' PHE . 0.1 OUTLIER -148.66 97.24 3.74 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 74.150000000000006 110.95 -179.923 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 548' ' ' PRO . . . . . 0.52 ' HG2' ' CG ' ' A' ' 551' ' ' HIS . 18.3 Cg_endo -75.01 129.63 12.51 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.543 1.812 . . . . 62.350000000000001 110.986 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 549' ' ' VAL . . . . . 0.697 HG12 ' HB2' ' A' ' 657' ' ' PHE . 33.3 m -47.81 -39.91 7.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 73.519999999999996 109.269 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 550' ' ' GLU . . . . . 0.46 ' CG ' ' HB2' ' A' ' 548' ' ' PRO . 4.8 pt-20 -56.77 -36.71 70.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 65.420000000000002 110.284 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 551' ' ' HIS . . . . . 0.52 ' CG ' ' HG2' ' A' ' 548' ' ' PRO . 43.9 m170 -84.57 -23.18 29.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 73.540000000000006 109.643 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 552' ' ' VAL . . . . . 0.58 HG11 ' CD2' ' A' ' 657' ' ' PHE . 84.0 t -83.08 118.86 31.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 70.439999999999998 109.307 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 553' ' ' GLN . . . . . 0.807 ' HB3' HD11 ' A' ' 555' ' ' LEU . 9.0 tt0 -110.81 169.99 8.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 73.129999999999995 110.347 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 554' ' ' LEU . . . . . 0.706 ' C ' HD12 ' A' ' 555' ' ' LEU . 2.9 mt -110.04 106.19 15.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 62.439999999999998 109.329 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 555' ' ' LEU . . . . . 0.865 HD12 ' N ' ' A' ' 555' ' ' LEU . 0.0 OUTLIER -123.32 168.37 12.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 75.510000000000005 109.307 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 556' ' ' CYS . . . . . 0.616 ' O ' ' N ' ' A' ' 560' ' ' MET . 4.2 t -99.37 106.89 19.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.001 -0.999 . . . . 75.200000000000003 110.938 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 557' ' ' ILE . . . . . 0.804 HD13 ' O ' ' A' ' 636' ' ' ARG . 1.0 OUTLIER -36.32 -32.2 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 63.340000000000003 109.335 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 558' ' ' ASN . . . . . 0.498 ' N ' ' O ' ' A' ' 556' ' ' CYS . 3.0 m120 -80.72 -66.3 0.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 73.209999999999994 109.248 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 559' ' ' CYS . . . . . 0.482 ' O ' ' HB2' ' A' ' 560' ' ' MET . 28.1 m -71.25 -63.52 1.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 73.519999999999996 108.264 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 560' ' ' MET . . . . . 0.686 ' SD ' HD23 ' A' ' 639' ' ' LEU . 6.7 mtm 69.19 52.48 0.48 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 64.219999999999999 111.004 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 561' ' ' VAL . . . . . 0.702 ' O ' ' HB3' ' A' ' 562' ' ' ALA . 1.4 m -117.61 -7.35 11.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 75.329999999999998 109.29 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 562' ' ' ALA . . . . . 0.702 ' HB3' ' O ' ' A' ' 561' ' ' VAL . . . 84.55 107.64 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 75.310000000000002 109.325 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 563' ' ' VAL . . . . . 0.49 ' HA ' ' CD2' ' A' ' 587' ' ' TYR . 0.3 OUTLIER -107.11 -4.76 10.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 75.140000000000001 109.298 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -173.37 -152.98 9.2 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.529 1.143 . . . . 62.030000000000001 111.035 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 565' ' ' HIS . . . . . . . . . . . . . 29.4 m-70 -136.81 154.05 50.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.454 0.738 . . . . 65.030000000000001 109.593 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 566' ' ' GLY . . . . . 0.549 ' O ' HD11 ' A' ' 569' ' ' LEU . . . -80.81 -11.36 84.0 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.458 1.099 . . . . 42.32 111.008 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 32.7 t -104.98 5.67 32.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 0.77 . . . . 53.100000000000001 109.985 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -113.19 -13.98 12.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 70.400000000000006 109.277 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 569' ' ' LEU . . . . . 0.858 HD21 ' CZ ' ' A' ' 657' ' ' PHE . 0.2 OUTLIER -79.62 150.15 31.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 70.219999999999999 109.3 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 570' ' ' ARG . . . . . 0.699 ' HA ' HG23 ' A' ' 659' ' ' VAL . 75.5 mtt85 -132.51 149.6 52.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 73.099999999999994 110.334 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 571' ' ' LYS . . . . . 0.464 ' CD ' ' O ' ' A' ' 659' ' ' VAL . 20.9 ptmt -101.67 153.38 19.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 74.430000000000007 109.277 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 572' ' ' VAL . . . . . 0.472 HG12 ' HG2' ' A' ' 573' ' ' GLU . 2.6 t -111.72 104.21 16.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 74.209999999999994 109.308 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 573' ' ' GLU . . . . . 0.472 ' HG2' HG12 ' A' ' 572' ' ' VAL . 9.6 pt-20 42.83 36.16 0.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 73.299999999999997 110.315 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 44.45 45.74 8.45 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.513 1.133 . . . . 52.439999999999998 110.992 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 575' ' ' THR . . . . . 0.507 ' O ' ' CG ' ' A' ' 576' ' ' HIS . 1.3 m -112.73 -35.57 5.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 0.773 . . . . 72.010000000000005 110.361 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 576' ' ' HIS . . . . . 0.507 ' CG ' ' O ' ' A' ' 575' ' ' THR . 10.7 m80 -168.13 106.09 0.49 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 75.099999999999994 109.598 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 577' ' ' HIS . . . . . 0.706 ' CD2' ' CE3' ' A' ' 652' ' ' TRP . 4.7 m80 -44.7 151.22 0.3 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 72.540000000000006 109.575 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 578' ' ' VAL . . . . . 0.95 HG12 HG22 ' A' ' 632' ' ' VAL . 2.6 m -154.86 108.38 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 73.209999999999994 109.336 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 579' ' ' ASN . . . . . 0.462 ' HB3' ' CD2' ' A' ' 633' ' ' LEU . 2.5 t-20 -83.99 119.06 24.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 71.430000000000007 109.312 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 580' ' ' VAL . . . . . 0.754 HG13 ' CD2' ' A' ' 630' ' ' LEU . 2.3 t -91.08 143.02 12.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 72.409999999999997 109.307 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 581' ' ' ASN . . . . . 0.451 ' CB ' ' HB2' ' A' ' 584' ' ' PHE . 21.3 m-20 179.01 132.66 0.23 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 63.200000000000003 109.308 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 582' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -49.09 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.485 1.782 . . . . 75.510000000000005 110.975 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 583' ' ' ASN . . . . . . . . . . . . . 12.7 m-20 -60.61 -15.6 29.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 70.340000000000003 109.302 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 584' ' ' PHE . . . . . 0.577 ' CE2' ' CZ3' ' A' ' 619' ' ' TRP . 2.0 t80 -61.0 -36.93 80.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 72.109999999999999 110.999 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 585' ' ' SER . . . . . 0.533 ' HA ' ' CE2' ' A' ' 588' ' ' TYR . 1.5 t -56.5 -29.58 62.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 55.200000000000003 109.967 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -87.18 -16.88 34.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 72.150000000000006 109.304 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 587' ' ' TYR . . . . . 0.49 ' CD2' ' HA ' ' A' ' 563' ' ' VAL . 8.5 m-30 -89.48 -10.04 47.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 62.219999999999999 110.984 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 588' ' ' TYR . . . . . 0.708 ' HE1' HG23 ' A' ' 590' ' ' VAL . 1.9 p90 -147.1 157.75 43.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 70.219999999999999 110.98 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 589' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -123.6 129.3 50.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.162 . . . . 74.310000000000002 109.285 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 590' ' ' VAL . . . . . 0.709 HG13 ' HA3' ' A' ' 608' ' ' GLY . 7.4 t -76.31 137.06 23.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 75.5 109.288 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 591' ' ' SER . . . . . 0.413 ' OG ' ' N ' ' A' ' 592' ' ' ARG . 3.8 t -56.3 174.53 0.13 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 54.539999999999999 110.012 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 592' ' ' ARG . . . . . 0.413 ' N ' ' OG ' ' A' ' 591' ' ' SER . 33.9 mtt85 -82.03 -41.16 21.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 65.420000000000002 110.283 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.8 152.6 6.77 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.132 . . . . 74.150000000000006 109.267 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -89.71 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.472 1.775 . . . . 74.019999999999996 110.987 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 595' ' ' VAL . . . . . 0.442 HG13 ' HB2' ' A' ' 606' ' ' PRO . 3.8 t -106.23 129.11 60.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.1 . . . . 72.420000000000002 109.324 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 596' ' ' VAL . . . . . . . . . . . . . 2.2 t -134.82 78.11 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.117 . . . . 63.109999999999999 109.304 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 597' ' ' ILE . . . . . 0.534 ' CD1' ' CE ' ' A' ' 623' ' ' MET . 2.4 mt -144.34 140.99 24.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 75.430000000000007 109.307 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 598' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -43.58 -53.19 5.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 72.519999999999996 109.296 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.04 143.75 29.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 65.230000000000004 109.287 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 600' ' ' VAL . . . . . 0.77 HG13 ' HD3' ' A' ' 606' ' ' PRO . 5.7 t -81.38 136.17 23.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 74.239999999999995 109.27 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 601' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -107.51 168.13 9.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 71.420000000000002 110.994 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 11.3 tmtt? -90.82 -44.25 9.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 73.329999999999998 109.309 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -40.2 -36.95 0.57 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.459 1.099 . . . . 71.140000000000001 109.292 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 604' ' ' TRP . . . . . 0.689 ' HZ3' HG11 ' A' ' 578' ' ' VAL . 0.2 OUTLIER -157.11 176.33 12.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 72.200000000000003 108.009 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 605' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.85 151.16 47.01 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 70.150000000000006 109.287 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 606' ' ' PRO . . . . . 0.77 ' HD3' HG13 ' A' ' 600' ' ' VAL . 18.3 Cg_endo -75.03 127.9 11.03 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.547 1.814 . . . . 73.420000000000002 111.017 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 607' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 622' ' ' GLN . . . -97.23 -117.88 3.61 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.504 1.128 . . . . 63.109999999999999 111.004 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 608' ' ' GLY . . . . . 0.709 ' HA3' HG13 ' A' ' 590' ' ' VAL . . . -133.34 148.08 19.23 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.003 -0.839 . . . . 65.239999999999995 111.003 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 24.7 t -54.11 125.68 9.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 0.755 . . . . 63.210000000000001 109.274 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 610' ' ' ILE . . . . . 0.672 HG23 ' CD1' ' A' ' 588' ' ' TYR . 0.7 OUTLIER -91.35 144.89 8.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.151 . . . . 61.450000000000003 109.273 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.86 131.85 29.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 55.109999999999999 109.966 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 612' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 616' ' ' GLY . 35.8 t -61.82 107.9 0.92 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.443 1.09 . . . . 63.350000000000001 108.289 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 11.4 ttt180 -66.47 -33.03 74.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 70.530000000000001 110.32 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 614' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -56.8 -41.78 78.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 61.130000000000003 109.319 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 615' ' ' CYS . . . . . 0.42 ' N ' ' SG ' ' A' ' 559' ' ' CYS . 0.8 OUTLIER -126.95 -74.24 0.6 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 42.240000000000002 108.277 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 616' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 160.29 -24.29 0.28 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.495 1.122 . . . . 44.439999999999998 110.984 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -42.13 106.68 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 0.739 . . . . 72.329999999999998 110.311 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 618' ' ' VAL . . . . . 0.51 HG13 ' O ' ' A' ' 610' ' ' ILE . 78.2 t -56.9 140.66 14.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 64.219999999999999 109.235 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 619' ' ' TRP . . . . . 0.577 ' CZ3' ' CE2' ' A' ' 584' ' ' PHE . 42.2 m0 -98.07 -42.62 7.39 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.961 -1.126 . . . . 71.310000000000002 107.961 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 620' ' ' GLY . . . . . . . . . . . . . . . 163.59 -108.15 0.33 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.508 1.13 . . . . 65.329999999999998 110.959 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 621' ' ' LEU . . . . . 0.777 HD22 ' C ' ' A' ' 621' ' ' LEU . 0.0 OUTLIER -152.7 154.27 34.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 0.748 . . . . 75.310000000000002 109.298 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 622' ' ' GLN . . . . . 0.601 ' N ' HD22 ' A' ' 621' ' ' LEU . 1.6 tt0 -86.66 134.97 33.57 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.143 . . . . 74.530000000000001 110.263 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 623' ' ' MET . . . . . 0.539 ' SD ' ' CG ' ' A' ' 604' ' ' TRP . 4.8 mmt -115.24 126.2 54.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 71.549999999999997 111.008 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 624' ' ' ILE . . . . . 0.535 ' N ' HD12 ' A' ' 624' ' ' ILE . 1.7 mp -102.36 112.19 34.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 74.430000000000007 109.305 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 625' ' ' TYR . . . . . 0.519 ' C ' ' CD1' ' A' ' 625' ' ' TYR . 0.2 OUTLIER -112.8 108.67 17.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 74.540000000000006 110.998 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 626' ' ' LYS . . . . . 0.513 ' O ' ' CB ' ' A' ' 627' ' ' SER . 1.4 mmmt 65.37 21.48 11.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 72.430000000000007 109.321 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 627' ' ' SER . . . . . 0.513 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.2 p 86.6 40.7 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 73.340000000000003 110.026 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 628' ' ' VAL . . . . . 0.783 HG12 ' HG ' ' A' ' 630' ' ' LEU . 55.3 t -124.6 110.3 24.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 73.109999999999999 109.307 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 629' ' ' LYS . . . . . 0.409 ' O ' HD23 ' A' ' 630' ' ' LEU . 17.9 mmmt -67.81 99.18 0.79 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 74.409999999999997 109.285 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 630' ' ' LEU . . . . . 0.783 ' HG ' HG12 ' A' ' 628' ' ' VAL . 53.6 mt -119.78 111.81 35.67 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 63.200000000000003 109.306 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 631' ' ' PRO . . . . . 0.731 ' HB2' HD11 ' A' ' 633' ' ' LEU . 18.3 Cg_endo -75.03 126.54 10.02 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.547 1.814 . . . . 63.310000000000002 110.998 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 632' ' ' VAL . . . . . 0.95 HG22 HG12 ' A' ' 578' ' ' VAL . 41.5 t -98.24 101.97 12.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 71.099999999999994 109.297 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 633' ' ' LEU . . . . . 0.812 HD13 ' C ' ' A' ' 632' ' ' VAL . 0.0 OUTLIER -103.42 171.28 7.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.098 . . . . 75.219999999999999 109.287 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 3.0 mtpt -97.35 -177.01 3.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 74.439999999999998 109.266 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 635' ' ' VAL . . . . . 0.497 ' CG1' ' C ' ' A' ' 650' ' ' LYS . 7.5 p -104.11 -10.21 9.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 70.120000000000005 109.257 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 636' ' ' ARG . . . . . 0.804 ' O ' HD13 ' A' ' 557' ' ' ILE . 6.1 ptm180 -94.28 -23.58 17.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 75.109999999999999 110.303 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 6.8 p -90.96 -9.98 44.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 71.519999999999996 109.979 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 638' ' ' MET . . . . . 0.447 ' HA ' ' O ' ' A' ' 555' ' ' LEU . 32.4 mmt -114.53 125.06 53.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.118 . . . . 72.219999999999999 111.008 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 639' ' ' LEU . . . . . 0.686 HD23 ' SD ' ' A' ' 560' ' ' MET . 1.6 tp -91.65 124.78 36.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.427 1.079 . . . . 72.200000000000003 109.274 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 640' ' ' LEU . . . . . 0.976 HD11 HG22 ' A' ' 655' ' ' VAL . 51.2 mt -88.56 100.92 13.45 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.116 . . . . 71.430000000000007 109.319 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . 0.493 ' CD ' HD21 ' A' ' 555' ' ' LEU . 6.9 mt-10 -73.41 129.01 37.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 73.400000000000006 110.301 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 642' ' ' THR . . . . . 0.716 HG21 HD12 ' A' ' 647' ' ' ILE . 0.7 OUTLIER -141.74 160.7 55.21 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 73.120000000000005 110.389 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 2.7 6.34 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.52 1.8 . . . . 54.530000000000001 111.007 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -113.35 0.42 14.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 71.239999999999995 110.269 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 113.56 124.94 4.19 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.534 1.147 . . . . 72.340000000000003 110.999 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 646' ' ' ARG . . . . . 0.523 ' HB3' HD11 ' A' ' 639' ' ' LEU . 1.3 mtt85 -38.68 148.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 0.74 . . . . 71.140000000000001 110.274 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 647' ' ' ILE . . . . . 0.716 HD12 HG21 ' A' ' 642' ' ' THR . 14.2 mt -130.19 129.76 65.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 64.030000000000001 109.308 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 648' ' ' GLN . . . . . 0.403 ' OE1' ' N ' ' A' ' 649' ' ' ALA . 0.9 OUTLIER -124.65 110.21 14.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 71.109999999999999 110.299 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 649' ' ' ALA . . . . . 0.403 ' N ' ' OE1' ' A' ' 648' ' ' GLN . . . -122.91 168.79 11.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 73.209999999999994 109.284 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 650' ' ' LYS . . . . . 0.497 ' C ' ' CG1' ' A' ' 635' ' ' VAL . 1.7 mtmt -104.96 -18.27 14.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 73.430000000000007 109.289 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -114.87 135.5 54.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 73.0 109.308 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 652' ' ' TRP . . . . . 0.706 ' CE3' ' CD2' ' A' ' 577' ' ' HIS . 75.9 m95 -66.93 -12.17 58.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 65.010000000000005 107.998 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 46.5 t -65.3 -11.15 38.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 65.310000000000002 110.021 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 654' ' ' ARG . . . . . 0.41 ' O ' ' C ' ' A' ' 655' ' ' VAL . 7.3 mmm180 -99.58 -29.55 12.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 73.400000000000006 110.276 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 655' ' ' VAL . . . . . 0.976 HG22 HD11 ' A' ' 640' ' ' LEU . 2.4 t -39.85 119.84 1.41 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 70.230000000000004 109.282 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 656' ' ' PRO . . . . . 0.62 ' HD2' HD13 ' A' ' 640' ' ' LEU . 18.3 Cg_endo -75.01 -42.78 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.516 1.798 . . . . 65.349999999999994 110.971 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 657' ' ' PHE . . . . . 0.858 ' CZ ' HD21 ' A' ' 569' ' ' LEU . 9.5 p90 -69.26 151.41 46.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 61.210000000000001 110.984 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -101.39 149.6 23.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 64.409999999999997 110.004 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 659' ' ' VAL . . . . . 0.699 HG23 ' HA ' ' A' ' 570' ' ' ARG . 0.1 OUTLIER -143.52 112.8 5.51 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 74.519999999999996 109.318 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 660' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 148.06 34.92 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.436 1.756 . . . . 73.120000000000005 111.026 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -42.23 151.52 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 55.350000000000001 109.291 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 662' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -70.96 117.7 12.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 73.230000000000004 111.004 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 663' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -91.26 117.68 29.85 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.142 . . . . 73.430000000000007 109.258 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 664' ' ' PHE . . . . . 0.438 ' O ' ' CB ' ' A' ' 668' ' ' CYS . 67.4 t80 -82.22 -21.22 36.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 63.310000000000002 111.029 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 8.7 mt -71.06 -34.94 71.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 53.020000000000003 109.298 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -87.95 -50.23 6.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 63.43 110.3 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 667' ' ' HIS . . . . . 0.688 ' CE1' HG11 ' A' ' 580' ' ' VAL . 8.4 t60 -55.32 -49.02 73.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 63.520000000000003 109.594 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 668' ' ' CYS . . . . . 0.438 ' CB ' ' O ' ' A' ' 664' ' ' PHE . 36.2 t -62.24 -34.61 76.84 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.509 1.131 . . . . 75.099999999999994 108.265 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 669' ' ' ALA . . . . . 0.521 ' O ' HD11 ' A' ' 675' ' ' LEU . . . -73.53 -11.56 60.49 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 64.409999999999997 109.293 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 670' ' ' GLU . . . . . 0.494 ' HA ' HD21 ' A' ' 675' ' ' LEU . 7.6 mt-10 -115.7 -2.11 12.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 60.130000000000003 110.343 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 671' ' ' ASN . . . . . 0.414 ' ND2' ' O ' ' A' ' 667' ' ' HIS . 1.3 m-80 -105.07 -15.63 15.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 74.150000000000006 109.335 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 14.6 mt -89.99 -175.03 4.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 73.319999999999993 109.31 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 4.0 m -101.73 12.16 37.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 64.219999999999999 109.992 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -63.98 -16.65 62.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 73.439999999999998 109.281 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 675' ' ' LEU . . . . . 0.521 HD11 ' O ' ' A' ' 669' ' ' ALA . 1.1 mm? -75.0 -53.31 9.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 73.099999999999994 109.277 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 676' ' ' SER . . . . . . . . . . . . . 3.6 m -173.71 145.12 1.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 71.230000000000004 109.99 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 11.0 mt -89.3 -58.21 2.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 75.310000000000002 109.298 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 5.5 t70 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 65.219999999999999 109.313 180.0 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 679' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 111.019 -0.832 . . . . 74.299999999999997 111.019 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 154.64 42.28 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.536 1.809 . . . . 64.209999999999994 110.963 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 21.3 t60 -55.25 -178.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 74.450000000000003 109.625 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 545' ' ' MET . . . . . . . . . . . . . 19.3 mtp -98.16 70.37 2.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 72.420000000000002 111.016 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 546' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -112.55 138.09 49.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 75.340000000000003 110.329 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 547' ' ' PHE . . . . . 0.524 ' CG ' ' HB2' ' A' ' 656' ' ' PRO . 7.0 m-85 -148.81 102.98 3.41 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 74.209999999999994 111.011 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 548' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 143.44 29.29 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.489 1.784 . . . . 44.32 111.027 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 549' ' ' VAL . . . . . 0.4 HG12 ' HB2' ' A' ' 657' ' ' PHE . 28.4 m -50.33 -45.31 24.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 50.409999999999997 109.277 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -53.18 -30.32 36.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 74.239999999999995 110.274 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 9.2 m170 -87.59 -29.1 21.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 71.319999999999993 109.59 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 552' ' ' VAL . . . . . 0.765 HG21 ' HB3' ' A' ' 657' ' ' PHE . 54.0 t -86.78 119.76 35.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 71.340000000000003 109.266 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -108.37 144.6 35.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 73.239999999999995 110.292 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 554' ' ' LEU . . . . . 1.028 HD11 HD23 ' A' ' 569' ' ' LEU . 0.9 OUTLIER -87.36 114.7 24.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 72.129999999999995 109.289 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 555' ' ' LEU . . . . . 0.833 HD11 ' HB2' ' A' ' 641' ' ' GLU . 0.2 OUTLIER -133.69 177.93 7.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 71.310000000000002 109.305 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 556' ' ' CYS . . . . . 0.511 ' O ' ' N ' ' A' ' 560' ' ' MET . 5.1 t -107.88 100.87 10.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 114.976 -1.011 . . . . 74.109999999999999 110.937 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 557' ' ' ILE . . . . . 0.882 HD13 ' O ' ' A' ' 636' ' ' ARG . 1.2 pt -34.75 -34.2 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 74.200000000000003 109.25 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 558' ' ' ASN . . . . . 0.501 ' N ' ' O ' ' A' ' 556' ' ' CYS . 2.5 m120 -75.07 -61.44 1.89 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 35.299999999999997 109.318 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 559' ' ' CYS . . . . . 0.513 ' O ' ' HB2' ' A' ' 560' ' ' MET . 2.8 m -78.36 -69.82 0.53 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 64.510000000000005 108.264 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 560' ' ' MET . . . . . 0.513 ' HB2' ' O ' ' A' ' 559' ' ' CYS . 28.1 mtm 79.59 45.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 73.329999999999998 111.042 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 561' ' ' VAL . . . . . 0.572 HG22 ' ND2' ' A' ' 614' ' ' ASN . 1.0 OUTLIER -115.45 15.02 7.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 74.129999999999995 109.232 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 562' ' ' ALA . . . . . 0.577 ' CA ' HD23 ' A' ' 555' ' ' LEU . . . 65.67 111.17 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 71.310000000000002 109.311 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 563' ' ' VAL . . . . . 0.813 HG12 ' CD1' ' A' ' 587' ' ' TYR . 2.4 m -110.5 -5.59 11.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.162 . . . . 75.420000000000002 109.367 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -179.51 -160.22 24.82 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.472 1.108 . . . . 41.109999999999999 110.981 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 565' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -129.61 156.67 43.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 0.735 . . . . 70.430000000000007 109.625 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . -78.65 -5.72 88.27 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.498 1.124 . . . . 71.340000000000003 111.045 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 3.1 t -108.42 10.9 27.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 0.752 . . . . 73.530000000000001 110.033 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 53.9 m-20 -110.72 -33.92 6.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 72.439999999999998 109.28 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 569' ' ' LEU . . . . . 1.028 HD23 HD11 ' A' ' 554' ' ' LEU . 0.1 OUTLIER -79.21 158.85 27.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 72.340000000000003 109.295 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 570' ' ' ARG . . . . . 0.8 HH22 HD13 ' A' ' 630' ' ' LEU . 8.5 mtm105 -132.39 -172.11 2.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 74.549999999999997 110.32 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 571' ' ' LYS . . . . . 0.491 ' CG ' ' HA2' ' A' ' 574' ' ' GLY . 4.9 ttmt -132.61 107.92 8.74 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 74.299999999999997 109.333 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 572' ' ' VAL . . . . . 0.457 ' O ' ' C ' ' A' ' 573' ' ' GLU . 2.4 t -79.69 110.97 15.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 71.409999999999997 109.287 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 573' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 572' ' ' VAL . 6.6 pt-20 34.64 43.91 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 71.109999999999999 110.308 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 574' ' ' GLY . . . . . 0.491 ' HA2' ' CG ' ' A' ' 571' ' ' LYS . . . 34.82 51.14 0.8 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.532 1.145 . . . . 74.439999999999998 110.992 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 2.9 m -117.57 -40.16 3.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 0.729 . . . . 64.299999999999997 110.418 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 576' ' ' HIS . . . . . 0.507 ' O ' HG13 ' A' ' 578' ' ' VAL . 2.9 m80 -161.79 112.6 1.65 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 74.329999999999998 109.612 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 577' ' ' HIS . . . . . 0.744 ' CD2' ' CD2' ' A' ' 652' ' ' TRP . 50.7 m-70 -66.11 118.69 10.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 71.109999999999999 109.641 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 578' ' ' VAL . . . . . 1.068 HG12 HG22 ' A' ' 632' ' ' VAL . 10.6 m -120.25 112.72 37.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 63.409999999999997 109.293 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 579' ' ' ASN . . . . . 0.6 ' OD1' ' CE1' ' A' ' 584' ' ' PHE . 2.2 t-20 -77.93 116.88 18.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 75.530000000000001 109.262 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 580' ' ' VAL . . . . . 0.927 HG22 HD22 ' A' ' 630' ' ' LEU . 26.2 t -91.86 125.28 44.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 75.129999999999995 109.334 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 581' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -173.89 136.27 0.65 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 71.519999999999996 109.32 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 582' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -35.93 2.87 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.476 1.777 . . . . 74.219999999999999 111.036 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 583' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -74.38 -6.03 45.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 65.230000000000004 109.264 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 584' ' ' PHE . . . . . 0.6 ' CE1' ' OD1' ' A' ' 579' ' ' ASN . 3.8 t80 -72.41 -33.9 67.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 64.239999999999995 111.026 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 585' ' ' SER . . . . . 0.516 ' HA ' ' CE2' ' A' ' 588' ' ' TYR . 4.6 t -57.3 -26.27 60.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 74.230000000000004 110.02 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -87.41 -17.51 32.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 73.239999999999995 109.313 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 587' ' ' TYR . . . . . 0.813 ' CD1' HG12 ' A' ' 563' ' ' VAL . 2.3 m-85 -91.08 4.7 51.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 72.519999999999996 110.971 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 588' ' ' TYR . . . . . 0.694 ' CD1' HG23 ' A' ' 610' ' ' ILE . 1.0 OUTLIER -164.13 158.89 19.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 52.43 110.997 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 589' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -134.47 128.47 33.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 55.210000000000001 109.315 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 590' ' ' VAL . . . . . 0.584 HG13 ' HA3' ' A' ' 608' ' ' GLY . 17.2 t -72.67 133.18 32.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.127 . . . . 74.099999999999994 109.284 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 34.9 t -54.19 165.33 0.52 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 70.219999999999999 109.986 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 39.4 mtm180 -58.21 -61.15 2.77 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 74.310000000000002 110.288 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -47.75 158.41 0.52 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 40.329999999999998 109.317 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -89.68 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.486 1.782 . . . . 71.219999999999999 110.981 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 595' ' ' VAL . . . . . 0.495 HG22 ' O ' ' A' ' 607' ' ' GLY . 3.9 t -108.75 131.86 58.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 71.040000000000006 109.288 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 596' ' ' VAL . . . . . . . . . . . . . 2.1 t -136.23 82.28 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 74.019999999999996 109.333 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 597' ' ' ILE . . . . . 0.675 HD11 ' HG ' ' A' ' 621' ' ' LEU . 2.8 mm -134.91 166.68 27.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 63.520000000000003 109.306 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 598' ' ' ASN . . . . . 0.519 ' N ' HG22 ' A' ' 597' ' ' ILE . 8.6 m120 -88.92 -61.33 1.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 73.329999999999998 109.29 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 599' ' ' LYS . . . . . 0.562 ' HD3' ' CZ ' ' A' ' 601' ' ' PHE . 0.0 OUTLIER -93.83 176.98 6.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 73.420000000000002 109.311 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 600' ' ' VAL . . . . . 0.412 ' N ' ' HG2' ' A' ' 599' ' ' LYS . 75.9 t -132.48 152.11 35.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 72.230000000000004 109.328 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 601' ' ' PHE . . . . . 0.562 ' CZ ' ' HD3' ' A' ' 599' ' ' LYS . 62.5 m-85 -118.32 163.88 16.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 74.099999999999994 111.0 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 602' ' ' LYS . . . . . 0.408 ' C ' ' N ' ' A' ' 604' ' ' TRP . 0.0 OUTLIER -109.31 -53.1 2.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.473 1.108 . . . . 72.409999999999997 109.312 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -43.2 -28.06 0.28 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 71.439999999999998 109.274 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 604' ' ' TRP . . . . . 0.565 ' CH2' ' HG3' ' A' ' 623' ' ' MET . 0.5 OUTLIER -157.09 165.86 34.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 74.430000000000007 107.982 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 605' ' ' LYS . . . . . . . . . . . . . 9.9 ptmt -112.34 157.58 39.62 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.578 1.174 . . . . 62.399999999999999 109.275 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 606' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 171.51 18.18 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.48 1.779 . . . . 63.439999999999998 110.972 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 607' ' ' GLY . . . . . 0.599 ' H ' HD23 ' A' ' 621' ' ' LEU . . . -135.59 -108.71 0.96 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.482 1.114 . . . . 71.530000000000001 111.007 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 608' ' ' GLY . . . . . 0.584 ' HA3' HG13 ' A' ' 590' ' ' VAL . . . -135.36 148.14 19.47 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 110.994 -0.842 . . . . 43.439999999999998 110.994 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 13.5 t -57.04 126.46 14.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 0.755 . . . . 70.019999999999996 109.26 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 610' ' ' ILE . . . . . 0.694 HG23 ' CD1' ' A' ' 588' ' ' TYR . 0.6 OUTLIER -95.06 145.33 8.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 53.409999999999997 109.318 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.87 121.76 9.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.589 1.181 . . . . 70.239999999999995 109.973 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 612' ' ' CYS . . . . . 0.514 ' HB2' ' CE2' ' A' ' 619' ' ' TRP . 33.8 t -48.78 119.99 3.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 74.209999999999994 108.3 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 7.4 ttt180 -71.01 -25.35 62.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 71.510000000000005 110.278 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 614' ' ' ASN . . . . . 0.572 ' ND2' HG22 ' A' ' 561' ' ' VAL . 81.0 m-20 -67.38 -36.03 80.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 74.120000000000005 109.328 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 615' ' ' CYS . . . . . 0.442 ' SG ' ' N ' ' A' ' 559' ' ' CYS . 0.2 OUTLIER -126.43 -74.63 0.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 63.329999999999998 108.341 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 616' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 148.07 -17.27 1.37 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.529 1.143 . . . . 73.540000000000006 110.983 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 617' ' ' GLU . . . . . 0.423 ' OE1' ' ND2' ' A' ' 558' ' ' ASN . 19.2 tp10 -42.49 102.87 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.52 0.777 . . . . 72.140000000000001 110.302 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 618' ' ' VAL . . . . . 0.451 ' O ' ' NZ ' ' A' ' 634' ' ' LYS . 25.6 t -49.17 118.08 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 72.439999999999998 109.263 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 619' ' ' TRP . . . . . 0.734 ' CE2' ' HE3' ' A' ' 638' ' ' MET . 36.7 m0 -81.44 -39.2 25.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 73.319999999999993 108.013 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 620' ' ' GLY . . . . . . . . . . . . . . . 160.44 -113.98 0.59 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.526 1.141 . . . . 51.310000000000002 111.029 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 621' ' ' LEU . . . . . 0.763 HD22 ' C ' ' A' ' 621' ' ' LEU . 0.0 OUTLIER -148.45 160.85 42.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 0.782 . . . . 74.0 109.301 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 622' ' ' GLN . . . . . 0.647 ' N ' HD22 ' A' ' 621' ' ' LEU . 0.8 OUTLIER -89.37 131.92 35.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 75.150000000000006 110.293 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 623' ' ' MET . . . . . 0.642 ' C ' HD12 ' A' ' 624' ' ' ILE . 9.9 mmt -106.23 142.34 36.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 51.299999999999997 110.974 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 624' ' ' ILE . . . . . 0.779 ' N ' HD12 ' A' ' 624' ' ' ILE . 2.7 mp -118.94 111.98 35.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 75.549999999999997 109.311 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 625' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -119.78 112.4 19.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 74.109999999999999 110.978 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 626' ' ' LYS . . . . . 0.509 ' O ' ' CB ' ' A' ' 627' ' ' SER . 6.4 mmpt? 65.32 17.31 10.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 62.549999999999997 109.32 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 627' ' ' SER . . . . . 0.509 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.1 p 87.3 40.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 63.299999999999997 109.984 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 628' ' ' VAL . . . . . 0.755 HG12 ' HG ' ' A' ' 630' ' ' LEU . 79.1 t -122.18 119.51 58.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 70.209999999999994 109.309 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 629' ' ' LYS . . . . . 0.458 ' CE ' ' OE1' ' A' ' 622' ' ' GLN . 6.8 mmmm -74.8 100.27 3.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 64.540000000000006 109.291 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 630' ' ' LEU . . . . . 0.927 HD22 HG22 ' A' ' 580' ' ' VAL . 27.1 mt -124.1 111.95 28.55 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 62.119999999999997 109.322 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 631' ' ' PRO . . . . . 0.576 ' HB2' HD11 ' A' ' 633' ' ' LEU . 18.4 Cg_endo -74.94 138.91 23.82 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.508 1.794 . . . . 72.150000000000006 111.009 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 632' ' ' VAL . . . . . 1.068 HG22 HG12 ' A' ' 578' ' ' VAL . 23.0 t -106.46 113.75 43.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 72.420000000000002 109.299 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 633' ' ' LEU . . . . . 1.0 HD13 ' C ' ' A' ' 632' ' ' VAL . 0.0 OUTLIER -113.96 171.64 7.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 73.209999999999994 109.267 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 634' ' ' LYS . . . . . 0.451 ' NZ ' ' O ' ' A' ' 618' ' ' VAL . 11.0 mtmm -102.53 -174.13 2.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 61.219999999999999 109.292 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 635' ' ' VAL . . . . . 0.983 HG11 ' C ' ' A' ' 651' ' ' LYS . 14.9 p -107.0 -20.34 6.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 75.010000000000005 109.252 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 636' ' ' ARG . . . . . 0.882 ' O ' HD13 ' A' ' 557' ' ' ILE . 6.9 ptp180 -82.31 -23.09 35.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 73.099999999999994 110.275 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 637' ' ' SER . . . . . 0.412 ' OG ' ' NZ ' ' A' ' 634' ' ' LYS . 3.6 m -96.05 -9.01 31.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 71.120000000000005 109.985 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 638' ' ' MET . . . . . 0.734 ' HE3' ' CE2' ' A' ' 619' ' ' TRP . 32.6 mmt -109.43 137.46 47.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 63.539999999999999 110.97 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 639' ' ' LEU . . . . . 0.887 HD21 ' HD2' ' A' ' 646' ' ' ARG . 11.6 tp -101.27 141.26 34.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 74.150000000000006 109.328 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 640' ' ' LEU . . . . . 0.411 HD13 ' C ' ' A' ' 639' ' ' LEU . 0.6 OUTLIER -109.95 90.99 3.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 72.209999999999994 109.263 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . 0.833 ' HB2' HD11 ' A' ' 555' ' ' LEU . 7.6 mt-10 -74.92 123.74 25.64 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.475 1.11 . . . . 53.119999999999997 110.301 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 642' ' ' THR . . . . . 0.545 HG21 HD12 ' A' ' 647' ' ' ILE . 0.2 OUTLIER -131.82 160.13 68.96 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 73.400000000000006 110.419 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 2.82 6.19 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.478 1.778 . . . . 73.120000000000005 110.983 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -113.9 -4.93 13.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 62.43 110.314 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 127.6 142.95 5.62 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.483 1.114 . . . . 25.02 110.962 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 646' ' ' ARG . . . . . 0.887 ' HD2' HD21 ' A' ' 639' ' ' LEU . 57.3 mtm-85 -57.77 149.74 21.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 0.729 . . . . 74.310000000000002 110.333 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 647' ' ' ILE . . . . . 0.545 HD12 HG21 ' A' ' 642' ' ' THR . 48.9 mt -136.83 127.1 39.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 72.409999999999997 109.295 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 648' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -128.28 112.31 14.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 75.099999999999994 110.329 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 649' ' ' ALA . . . . . 0.444 ' CB ' ' HB2' ' A' ' 654' ' ' ARG . . . -112.85 154.22 26.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 73.420000000000002 109.304 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 7.9 mttm -90.04 -8.03 52.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 63.240000000000002 109.321 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 651' ' ' LYS . . . . . 0.983 ' C ' HG11 ' A' ' 635' ' ' VAL . 0.0 OUTLIER -138.74 153.69 48.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 74.140000000000001 109.32 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 652' ' ' TRP . . . . . 0.792 ' HA ' HG23 ' A' ' 655' ' ' VAL . 59.7 m95 -75.77 -9.86 58.95 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.96 -1.126 . . . . 74.510000000000005 107.96 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 7.8 t -65.27 -11.06 37.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 74.010000000000005 109.996 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 654' ' ' ARG . . . . . 0.444 ' HB2' ' CB ' ' A' ' 649' ' ' ALA . 7.3 mmt85 -105.64 -12.4 15.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 72.530000000000001 110.317 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 655' ' ' VAL . . . . . 0.792 HG23 ' HA ' ' A' ' 652' ' ' TRP . 6.2 t -40.33 111.13 0.73 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 73.129999999999995 109.272 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 656' ' ' PRO . . . . . 0.524 ' HB2' ' CG ' ' A' ' 547' ' ' PHE . 18.3 Cg_endo -75.03 -29.75 7.85 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.489 1.784 . . . . 70.109999999999999 110.955 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 657' ' ' PHE . . . . . 0.765 ' HB3' HG21 ' A' ' 552' ' ' VAL . 54.4 p90 -84.47 164.84 18.58 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.496 1.123 . . . . 65.140000000000001 110.963 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.69 150.17 23.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 64.109999999999999 109.987 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 659' ' ' VAL . . . . . 0.663 HG22 ' CE2' ' A' ' 657' ' ' PHE . 1.8 t -141.73 100.89 6.02 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 75.450000000000003 109.341 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 660' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 166.79 28.4 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.528 1.804 . . . . 61.399999999999999 110.975 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 661' ' ' ASP . . . . . 0.405 ' HA ' ' O ' ' A' ' 571' ' ' LYS . 3.0 p-10 -89.89 151.42 21.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 62.329999999999998 109.3 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 662' ' ' PHE . . . . . 0.697 ' CD1' ' CZ ' ' A' ' 570' ' ' ARG . 1.9 t80 -49.97 159.99 0.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 75.510000000000005 110.995 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 663' ' ' ASP . . . . . 0.457 ' O ' ' N ' ' A' ' 666' ' ' GLN . 58.9 t0 -132.85 71.73 1.48 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 71.329999999999998 109.33 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 664' ' ' PHE . . . . . 0.504 ' O ' ' CB ' ' A' ' 668' ' ' CYS . 9.0 t80 -42.75 -37.51 1.79 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 64.530000000000001 111.022 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 665' ' ' LEU . . . . . 0.525 ' O ' ' HB2' ' A' ' 669' ' ' ALA . 9.2 mt -58.66 -43.11 89.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 70.409999999999997 109.304 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 666' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 663' ' ' ASP . 2.7 tp-100 -81.14 -62.15 1.75 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 74.239999999999995 110.277 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 667' ' ' HIS . . . . . 0.483 ' CG ' ' CZ ' ' A' ' 662' ' ' PHE . 3.7 t60 -44.36 -53.44 6.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 71.310000000000002 109.629 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 668' ' ' CYS . . . . . 0.504 ' CB ' ' O ' ' A' ' 664' ' ' PHE . 11.4 t -60.87 -34.72 75.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.11 . . . . 70.519999999999996 108.304 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 669' ' ' ALA . . . . . 0.577 ' O ' HD21 ' A' ' 675' ' ' LEU . . . -73.66 -11.44 60.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 74.120000000000005 109.295 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 670' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -115.53 -3.08 12.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 75.230000000000004 110.271 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 671' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 667' ' ' HIS . 1.2 m-80 -104.08 -17.12 15.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 60.200000000000003 109.316 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 15.3 mt -90.76 -176.46 4.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 44.140000000000001 109.276 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 19.6 m -106.91 8.59 30.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 74.010000000000005 110.007 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -56.23 -20.88 20.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.165 . . . . 74.409999999999997 109.283 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 675' ' ' LEU . . . . . 0.6 ' H ' HD22 ' A' ' 675' ' ' LEU . 0.5 OUTLIER -72.62 -59.8 2.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 74.019999999999996 109.332 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 676' ' ' SER . . . . . 0.532 ' C ' HD13 ' A' ' 677' ' ' LEU . 6.0 p -168.49 172.5 8.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 72.109999999999999 109.969 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 677' ' ' LEU . . . . . 0.58 ' N ' HD22 ' A' ' 677' ' ' LEU . 0.1 OUTLIER -113.47 -50.35 2.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 64.129999999999995 109.34 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 8.5 t70 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 64.040000000000006 109.342 179.999 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 679' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 110.962 -0.855 . . . . 75.340000000000003 110.962 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -6.15 17.69 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.495 1.787 . . . . 70.209999999999994 110.986 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 68.4 m80 -91.73 -23.05 19.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 70.209999999999994 109.598 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 545' ' ' MET . . . . . 0.465 ' C ' ' CE1' ' A' ' 547' ' ' PHE . 35.4 mtp 55.08 49.6 17.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 62.399999999999999 111.021 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 546' ' ' GLN . . . . . 0.535 ' C ' ' CD1' ' A' ' 547' ' ' PHE . 23.2 mt-30 -116.1 138.2 51.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 44.350000000000001 110.314 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 547' ' ' PHE . . . . . 0.535 ' CD1' ' C ' ' A' ' 546' ' ' GLN . 0.5 OUTLIER -153.79 102.78 2.5 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 63.109999999999999 111.002 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 548' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 144.8 30.54 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.553 1.818 . . . . 62.43 110.979 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 549' ' ' VAL . . . . . 0.483 HG23 ' CB ' ' A' ' 567' ' ' SER . 28.9 m -51.17 -44.08 28.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 72.120000000000005 109.288 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -53.43 -29.56 35.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 72.030000000000001 110.316 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 8.6 m170 -89.13 -22.93 22.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 71.319999999999993 109.598 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 552' ' ' VAL . . . . . 0.803 HG21 ' HB3' ' A' ' 657' ' ' PHE . 42.8 t -91.86 126.5 44.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 62.32 109.253 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 553' ' ' GLN . . . . . 0.579 ' OE1' ' CE1' ' A' ' 565' ' ' HIS . 8.9 tt0 -112.28 148.67 33.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 73.310000000000002 110.303 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 554' ' ' LEU . . . . . 1.044 HD11 HD23 ' A' ' 569' ' ' LEU . 1.3 mt -90.91 111.19 22.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 74.099999999999994 109.309 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 555' ' ' LEU . . . . . 0.817 HD11 ' HB2' ' A' ' 641' ' ' GLU . 0.2 OUTLIER -133.28 177.21 7.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 74.120000000000005 109.291 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 556' ' ' CYS . . . . . 0.538 ' O ' ' N ' ' A' ' 560' ' ' MET . 5.4 t -102.35 101.42 11.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.009 -0.996 . . . . 70.439999999999998 110.915 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 557' ' ' ILE . . . . . 0.805 HD13 ' O ' ' A' ' 636' ' ' ARG . 1.4 pt -33.08 -36.5 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.113 . . . . 71.329999999999998 109.276 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 558' ' ' ASN . . . . . 0.516 ' N ' ' O ' ' A' ' 556' ' ' CYS . 2.7 m120 -73.95 -61.5 1.83 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 71.109999999999999 109.276 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 559' ' ' CYS . . . . . 0.498 ' O ' ' HB2' ' A' ' 560' ' ' MET . 3.9 m -77.75 -69.89 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 52.219999999999999 108.32 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 560' ' ' MET . . . . . 0.538 ' N ' ' O ' ' A' ' 556' ' ' CYS . 24.8 mtm 78.55 47.07 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 74.200000000000003 111.014 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 561' ' ' VAL . . . . . 0.686 ' O ' ' HB3' ' A' ' 562' ' ' ALA . 1.1 m -108.07 -5.27 10.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 62.200000000000003 109.303 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 562' ' ' ALA . . . . . 0.686 ' HB3' ' O ' ' A' ' 561' ' ' VAL . . . 85.27 100.52 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 61.329999999999998 109.278 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 563' ' ' VAL . . . . . 0.84 HG12 ' CD1' ' A' ' 587' ' ' TYR . 2.2 m -98.19 -7.11 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 64.129999999999995 109.309 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -179.87 -161.05 26.42 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 72.400000000000006 111.011 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 565' ' ' HIS . . . . . 0.579 ' CE1' ' OE1' ' A' ' 553' ' ' GLN . 48.1 m-70 -123.77 147.08 47.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 0.79 . . . . 74.310000000000002 109.552 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . -74.13 -2.8 63.18 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.543 1.152 . . . . 64.209999999999994 111.01 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 567' ' ' SER . . . . . 0.483 ' CB ' HG23 ' A' ' 549' ' ' VAL . 12.7 p -114.95 11.93 16.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 0.775 . . . . 74.099999999999994 109.968 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -112.06 -16.44 13.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 70.239999999999995 109.305 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 569' ' ' LEU . . . . . 1.044 HD23 HD11 ' A' ' 554' ' ' LEU . 0.1 OUTLIER -91.14 164.65 13.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 61.340000000000003 109.305 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 570' ' ' ARG . . . . . 0.697 HH22 HD13 ' A' ' 630' ' ' LEU . 0.2 OUTLIER -146.75 -176.77 5.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 70.400000000000006 110.27 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 571' ' ' LYS . . . . . 0.543 ' HE2' ' CE1' ' A' ' 577' ' ' HIS . 23.2 ttmt -111.74 159.26 18.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 73.209999999999994 109.307 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 572' ' ' VAL . . . . . 0.564 ' CG2' ' NH1' ' A' ' 570' ' ' ARG . 2.2 t -124.18 105.37 15.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 61.450000000000003 109.288 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 573' ' ' GLU . . . . . 0.438 ' HG2' HG12 ' A' ' 572' ' ' VAL . 9.2 pt-20 43.57 36.34 1.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 74.450000000000003 110.295 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 574' ' ' GLY . . . . . 0.436 ' HA2' ' CD ' ' A' ' 571' ' ' LYS . . . 43.83 46.94 7.68 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.427 1.079 . . . . 74.400000000000006 110.982 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 2.0 m -114.54 -50.33 2.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 0.768 . . . . 75.299999999999997 110.444 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 5.1 m80 -157.52 117.18 3.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.138 . . . . 73.329999999999998 109.649 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 577' ' ' HIS . . . . . 0.589 ' O ' HG13 ' A' ' 578' ' ' VAL . 35.9 m-70 -49.64 157.7 0.52 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 71.310000000000002 109.601 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 578' ' ' VAL . . . . . 0.819 ' CG1' HG22 ' A' ' 632' ' ' VAL . 0.2 OUTLIER -158.34 129.18 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 64.109999999999999 109.262 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 579' ' ' ASN . . . . . 0.569 ' OD1' ' CE1' ' A' ' 584' ' ' PHE . 2.6 t-20 -98.78 113.16 25.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 70.310000000000002 109.29 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 580' ' ' VAL . . . . . 0.567 HG13 HD23 ' A' ' 630' ' ' LEU . 2.7 t -87.22 131.92 33.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 72.140000000000001 109.248 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 581' ' ' ASN . . . . . 0.425 ' CB ' ' HB2' ' A' ' 584' ' ' PHE . 4.4 m120 -179.78 131.58 0.26 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 54.210000000000001 109.314 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 582' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -33.93 4.28 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.482 1.78 . . . . 54.210000000000001 111.039 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 583' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -78.46 -1.63 34.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 75.329999999999998 109.258 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 584' ' ' PHE . . . . . 0.569 ' CE1' ' OD1' ' A' ' 579' ' ' ASN . 3.3 t80 -73.78 -30.96 63.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 52.119999999999997 111.007 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 585' ' ' SER . . . . . 0.53 ' HA ' ' CE2' ' A' ' 588' ' ' TYR . 7.3 t -62.41 -21.99 65.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 70.099999999999994 109.939 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -87.11 -12.63 46.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 74.510000000000005 109.266 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 587' ' ' TYR . . . . . 0.84 ' CD1' HG12 ' A' ' 563' ' ' VAL . 6.1 m-85 -97.53 4.12 50.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 75.409999999999997 110.962 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 588' ' ' TYR . . . . . 0.773 ' CD1' HG23 ' A' ' 610' ' ' ILE . 1.9 p90 -163.61 156.78 18.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 72.040000000000006 111.037 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 589' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -126.47 126.91 44.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.081 . . . . 64.329999999999998 109.305 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 590' ' ' VAL . . . . . 0.681 HG13 ' HA3' ' A' ' 608' ' ' GLY . 10.5 t -72.66 136.44 25.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 72.129999999999995 109.295 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 7.2 t -62.97 174.38 1.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 74.430000000000007 110.016 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 64.4 ttt-85 -79.58 -41.7 26.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 71.299999999999997 110.289 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -41.61 145.89 0.62 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 74.319999999999993 109.324 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -89.41 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.513 1.796 . . . . 54.119999999999997 111.003 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 595' ' ' VAL . . . . . 0.575 HG13 ' CB ' ' A' ' 606' ' ' PRO . 53.8 t -102.59 125.42 56.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 64.430000000000007 109.297 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 596' ' ' VAL . . . . . . . . . . . . . 2.3 t -135.08 78.28 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 75.420000000000002 109.297 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 597' ' ' ILE . . . . . 0.605 HD11 ' HE1' ' A' ' 623' ' ' MET . 2.9 mt -144.09 163.82 14.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 73.439999999999998 109.299 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 598' ' ' ASN . . . . . 0.499 ' N ' ' CG2' ' A' ' 597' ' ' ILE . 0.8 OUTLIER -67.34 -56.32 10.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 72.430000000000007 109.285 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 599' ' ' LYS . . . . . 0.562 ' HE3' ' CE2' ' A' ' 601' ' ' PHE . 0.0 OUTLIER -141.44 178.15 7.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.097 . . . . 75.439999999999998 109.293 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 600' ' ' VAL . . . . . . . . . . . . . 40.8 t -98.38 155.97 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 74.230000000000004 109.303 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 601' ' ' PHE . . . . . 0.562 ' CE2' ' HE3' ' A' ' 599' ' ' LYS . 83.3 m-85 -125.96 166.11 17.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 71.129999999999995 111.011 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 49.6 mttm -104.85 19.07 21.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 71.530000000000001 109.274 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -113.7 -36.14 4.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.575 1.172 . . . . 72.420000000000002 109.283 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 604' ' ' TRP . . . . . 0.436 ' CE3' ' CB ' ' A' ' 623' ' ' MET . 0.2 OUTLIER -157.0 172.87 17.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 62.43 108.01 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 605' ' ' LYS . . . . . . . . . . . . . 7.4 ptpt -119.69 163.25 28.52 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 74.129999999999995 109.322 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 606' ' ' PRO . . . . . 0.575 ' CB ' HG13 ' A' ' 595' ' ' VAL . 18.3 Cg_endo -75.0 143.91 29.62 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.479 1.778 . . . . 74.120000000000005 110.964 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 607' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 622' ' ' GLN . . . -117.48 -83.98 0.99 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.474 1.109 . . . . 72.329999999999998 111.023 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 608' ' ' GLY . . . . . 0.681 ' HA3' HG13 ' A' ' 590' ' ' VAL . . . -163.35 150.11 18.45 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.011 -0.836 . . . . 61.140000000000001 111.011 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 609' ' ' VAL . . . . . 0.407 HG23 ' H ' ' A' ' 609' ' ' VAL . 10.7 t -58.18 133.44 23.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 0.785 . . . . 63.020000000000003 109.297 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 610' ' ' ILE . . . . . 0.773 HG23 ' CD1' ' A' ' 588' ' ' TYR . 0.6 OUTLIER -103.18 149.64 7.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 74.420000000000002 109.26 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 611' ' ' SER . . . . . 0.401 ' O ' ' HA ' ' A' ' 588' ' ' TYR . 1.1 t -149.3 146.32 27.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 71.340000000000003 109.989 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 612' ' ' CYS . . . . . 0.458 ' O ' ' N ' ' A' ' 616' ' ' GLY . 20.1 t -66.41 119.43 11.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 54.450000000000003 108.279 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 10.7 ttt-85 -72.92 -24.29 60.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 74.420000000000002 110.317 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 614' ' ' ASN . . . . . 0.488 ' ND2' HG22 ' A' ' 561' ' ' VAL . 90.4 m-20 -70.08 -32.1 70.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 63.210000000000001 109.294 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 615' ' ' CYS . . . . . 0.403 ' N ' ' SG ' ' A' ' 559' ' ' CYS . 1.7 m -129.56 -74.04 0.56 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 74.109999999999999 108.328 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 616' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 152.42 -20.93 0.83 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.493 1.121 . . . . 43.119999999999997 111.039 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -42.77 112.04 0.32 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 0.76 . . . . 64.329999999999998 110.286 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 3.3 t -49.42 141.87 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 74.530000000000001 109.314 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 619' ' ' TRP . . . . . 0.767 ' CE2' ' HE3' ' A' ' 638' ' ' MET . 29.6 m0 -106.47 -31.01 8.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 75.409999999999997 108.028 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 620' ' ' GLY . . . . . . . . . . . . . . . 150.61 -118.93 0.96 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.484 1.115 . . . . 41.119999999999997 111.015 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 621' ' ' LEU . . . . . 0.912 HD21 ' SD ' ' A' ' 623' ' ' MET . 0.0 OUTLIER -146.27 162.34 38.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 0.738 . . . . 73.219999999999999 109.294 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 622' ' ' GLN . . . . . 0.731 ' N ' HD22 ' A' ' 621' ' ' LEU . 0.4 OUTLIER -96.0 134.47 38.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 71.420000000000002 110.307 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 623' ' ' MET . . . . . 0.912 ' SD ' HD21 ' A' ' 621' ' ' LEU . 4.6 mmt -115.86 150.3 37.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 73.200000000000003 111.024 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 624' ' ' ILE . . . . . 0.766 ' N ' HD12 ' A' ' 624' ' ' ILE . 2.4 mp -119.25 119.01 59.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 72.209999999999994 109.325 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 625' ' ' TYR . . . . . 0.527 ' C ' ' CD1' ' A' ' 625' ' ' TYR . 0.2 OUTLIER -123.63 111.47 16.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 74.239999999999995 110.998 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 626' ' ' LYS . . . . . 0.487 ' O ' ' CB ' ' A' ' 627' ' ' SER . 0.7 OUTLIER 61.8 21.18 12.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 75.140000000000001 109.294 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 627' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.2 p 85.37 41.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 74.340000000000003 109.974 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 628' ' ' VAL . . . . . 0.836 HG12 ' HG ' ' A' ' 630' ' ' LEU . 54.0 t -127.9 107.9 17.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 72.409999999999997 109.293 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 3.7 mmmm -66.45 99.28 0.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 73.420000000000002 109.283 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 630' ' ' LEU . . . . . 0.836 ' HG ' HG12 ' A' ' 628' ' ' VAL . 4.9 mt -118.59 112.76 36.9 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 75.140000000000001 109.324 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 631' ' ' PRO . . . . . 0.597 ' HB2' HD11 ' A' ' 633' ' ' LEU . 18.3 Cg_endo -74.98 146.99 33.41 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.463 1.77 . . . . 72.310000000000002 111.008 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 632' ' ' VAL . . . . . 0.985 ' C ' HD13 ' A' ' 633' ' ' LEU . 30.0 t -111.93 111.95 38.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 54.240000000000002 109.302 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 633' ' ' LEU . . . . . 0.985 HD13 ' C ' ' A' ' 632' ' ' VAL . 0.0 OUTLIER -112.34 171.59 7.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 65.109999999999999 109.299 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 634' ' ' LYS . . . . . 0.475 ' CE ' ' CG ' ' A' ' 636' ' ' ARG . 0.0 OUTLIER -114.34 179.29 3.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 72.010000000000005 109.302 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 635' ' ' VAL . . . . . 0.498 ' CG1' ' O ' ' A' ' 650' ' ' LYS . 10.7 p -93.6 -42.57 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 72.519999999999996 109.297 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 636' ' ' ARG . . . . . 0.805 ' O ' HD13 ' A' ' 557' ' ' ILE . 0.2 OUTLIER -58.83 -15.51 12.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 62.229999999999997 110.304 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 27.2 t -106.44 -15.28 14.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 73.040000000000006 109.975 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 638' ' ' MET . . . . . 0.767 ' HE3' ' CE2' ' A' ' 619' ' ' TRP . 32.7 mmt -109.75 132.75 53.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 71.25 111.023 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 639' ' ' LEU . . . . . 0.785 HD12 ' HA ' ' A' ' 557' ' ' ILE . 1.2 tt -98.68 150.45 21.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 72.329999999999998 109.266 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 640' ' ' LEU . . . . . 0.551 HD12 ' CG1' ' A' ' 552' ' ' VAL . 1.7 mm? -113.08 93.42 4.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 75.239999999999995 109.305 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . 0.817 ' HB2' HD11 ' A' ' 555' ' ' LEU . 7.9 mt-10 -73.98 119.58 18.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 64.25 110.301 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 642' ' ' THR . . . . . 0.526 HG21 HD12 ' A' ' 647' ' ' ILE . 0.1 OUTLIER -127.34 159.91 62.89 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 73.420000000000002 110.411 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 1.83 7.32 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.502 1.791 . . . . 75.439999999999998 110.996 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -108.91 -5.59 16.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 40.329999999999998 110.304 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 128.45 145.06 5.94 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.476 1.11 . . . . 45.539999999999999 111.0 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 47.4 mtm-85 -58.44 145.62 37.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 0.766 . . . . 71.409999999999997 110.306 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 647' ' ' ILE . . . . . 0.526 HD12 HG21 ' A' ' 642' ' ' THR . 53.1 mt -136.26 137.34 48.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 52.310000000000002 109.264 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 648' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -131.96 110.47 10.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 73.519999999999996 110.282 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 649' ' ' ALA . . . . . . . . . . . . . . . -106.33 165.57 11.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 71.109999999999999 109.304 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 650' ' ' LYS . . . . . 0.498 ' O ' ' CG1' ' A' ' 635' ' ' VAL . 0.0 OUTLIER -104.59 -38.32 6.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 64.129999999999995 109.299 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 651' ' ' LYS . . . . . 0.41 ' HD3' ' N ' ' A' ' 651' ' ' LYS . 0.0 OUTLIER -111.49 145.41 39.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 74.120000000000005 109.301 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 652' ' ' TRP . . . . . 0.497 ' CG ' ' CD2' ' A' ' 577' ' ' HIS . 67.2 m95 -69.03 -10.26 56.67 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.989 -1.115 . . . . 74.030000000000001 107.989 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 2.5 t -71.46 -18.19 62.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 64.329999999999998 110.005 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 654' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 655' ' ' VAL . 3.1 mmm180 -100.61 -21.38 15.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 62.130000000000003 110.29 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 655' ' ' VAL . . . . . 0.803 HG13 ' CD1' ' A' ' 657' ' ' PHE . 2.2 t -39.86 126.88 1.57 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 64.129999999999995 109.326 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 656' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -50.3 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.468 1.773 . . . . 75.549999999999997 111.005 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 657' ' ' PHE . . . . . 0.816 ' CE2' HG22 ' A' ' 659' ' ' VAL . 44.9 p90 -65.47 159.46 24.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 72.25 111.004 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 7.1 m -90.31 150.06 22.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 70.010000000000005 109.997 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 659' ' ' VAL . . . . . 0.891 HG13 HD13 ' A' ' 569' ' ' LEU . 2.1 t -134.23 95.3 16.77 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 72.299999999999997 109.316 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 660' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 148.43 35.09 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.484 1.781 . . . . 64.049999999999997 111.01 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 661' ' ' ASP . . . . . 0.422 ' HA ' ' O ' ' A' ' 571' ' ' LYS . 17.3 p-10 -63.8 160.01 18.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 71.120000000000005 109.286 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 662' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -40.53 161.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 75.439999999999998 110.992 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 663' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -131.47 79.02 1.86 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.127 . . . . 75.310000000000002 109.302 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 664' ' ' PHE . . . . . 0.465 ' CE1' ' OH ' ' A' ' 625' ' ' TYR . 4.2 t80 -54.26 -23.28 14.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.165 . . . . 71.129999999999995 111.03 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 54.5 mt -73.25 -53.35 11.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 61.439999999999998 109.332 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -68.03 -59.89 2.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 64.120000000000005 110.271 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 667' ' ' HIS . . . . . 0.518 ' HE1' HG11 ' A' ' 580' ' ' VAL . 3.5 t60 -43.86 -45.39 7.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 73.430000000000007 109.583 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 668' ' ' CYS . . . . . . . . . . . . . 51.4 t -65.24 -45.83 83.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 52.340000000000003 108.275 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -65.47 -11.53 44.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 71.349999999999994 109.29 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 670' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -103.91 -21.99 13.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 75.549999999999997 110.316 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -87.22 -27.44 22.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 35.450000000000003 109.287 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 672' ' ' LEU . . . . . 0.514 ' O ' ' CB ' ' A' ' 673' ' ' SER . 3.6 mt -85.77 -68.92 0.7 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 52.119999999999997 109.311 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 673' ' ' SER . . . . . 0.514 ' CB ' ' O ' ' A' ' 672' ' ' LEU . 1.4 p 86.02 5.13 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 72.310000000000002 110.011 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -59.0 -16.08 16.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 65.010000000000005 109.318 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 675' ' ' LEU . . . . . 0.662 ' H ' HD22 ' A' ' 675' ' ' LEU . 0.3 OUTLIER -69.86 -67.89 0.45 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 64.310000000000002 109.32 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 676' ' ' SER . . . . . . . . . . . . . 3.0 m -173.63 141.83 0.89 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.456 1.097 . . . . 75.109999999999999 109.996 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 677' ' ' LEU . . . . . 0.635 HD12 ' N ' ' A' ' 677' ' ' LEU . 1.4 mp -88.56 -47.29 8.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 73.230000000000004 109.306 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 2.9 t70 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 75.450000000000003 109.294 179.959 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 679' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 110.975 -0.85 . . . . 73.400000000000006 110.975 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -178.47 4.2 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.508 1.794 . . . . 63.43 110.982 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 57.5 m170 -59.95 179.1 0.14 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 74.109999999999999 109.608 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 545' ' ' MET . . . . . . . . . . . . . 75.2 mtp -76.73 76.26 3.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 74.319999999999993 111.028 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 546' ' ' GLN . . . . . 0.548 ' C ' ' CD1' ' A' ' 547' ' ' PHE . 11.8 mt-30 -126.44 144.72 50.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 70.209999999999994 110.294 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 547' ' ' PHE . . . . . 0.624 ' N ' ' CD1' ' A' ' 547' ' ' PHE . 0.2 OUTLIER -148.27 100.55 3.6 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.127 . . . . 63.340000000000003 111.046 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 548' ' ' PRO . . . . . 0.425 ' HB2' ' CG ' ' A' ' 550' ' ' GLU . 18.3 Cg_endo -74.97 139.31 24.21 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.513 1.796 . . . . 63.100000000000001 111.041 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 549' ' ' VAL . . . . . 0.584 HG12 ' HB2' ' A' ' 657' ' ' PHE . 27.9 m -49.24 -41.41 14.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 50.420000000000002 109.26 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 550' ' ' GLU . . . . . 0.425 ' CG ' ' HB2' ' A' ' 548' ' ' PRO . 4.3 pt-20 -56.45 -33.85 66.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 72.219999999999999 110.29 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -85.35 -17.08 37.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 74.140000000000001 109.59 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 552' ' ' VAL . . . . . 0.677 HG11 ' CD2' ' A' ' 657' ' ' PHE . 42.4 t -95.18 122.16 46.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 60.219999999999999 109.284 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 553' ' ' GLN . . . . . 0.434 ' O ' HD12 ' A' ' 555' ' ' LEU . 12.5 tt0 -109.1 150.69 27.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 73.439999999999998 110.307 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 554' ' ' LEU . . . . . 1.042 HD11 HD23 ' A' ' 569' ' ' LEU . 1.0 OUTLIER -91.4 113.31 25.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 74.150000000000006 109.334 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 555' ' ' LEU . . . . . 0.64 HD11 ' HB2' ' A' ' 641' ' ' GLU . 0.4 OUTLIER -134.46 -178.51 5.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 71.439999999999998 109.302 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 556' ' ' CYS . . . . . 0.597 ' O ' ' N ' ' A' ' 560' ' ' MET . 4.3 t -108.06 108.07 19.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.995 -1.002 . . . . 74.099999999999994 110.915 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 557' ' ' ILE . . . . . 0.877 HD13 ' O ' ' A' ' 636' ' ' ARG . 1.1 pt -36.51 -32.36 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 74.349999999999994 109.283 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 558' ' ' ASN . . . . . 0.492 ' N ' ' O ' ' A' ' 556' ' ' CYS . 8.1 m-20 -83.85 -65.38 1.02 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.565 1.165 . . . . 53.32 109.284 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 559' ' ' CYS . . . . . 0.462 ' O ' ' HB2' ' A' ' 560' ' ' MET . 3.3 m -65.38 -64.48 0.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 51.350000000000001 108.344 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 560' ' ' MET . . . . . 0.597 ' N ' ' O ' ' A' ' 556' ' ' CYS . 10.1 mtm 67.44 42.97 2.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.106 . . . . 75.519999999999996 111.016 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 561' ' ' VAL . . . . . 0.684 ' O ' ' HB3' ' A' ' 562' ' ' ALA . 1.0 OUTLIER -111.22 -2.0 10.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 73.329999999999998 109.276 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 562' ' ' ALA . . . . . 0.684 ' HB3' ' O ' ' A' ' 561' ' ' VAL . . . 82.66 108.09 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 74.010000000000005 109.287 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 563' ' ' VAL . . . . . 0.674 HG12 ' CD1' ' A' ' 587' ' ' TYR . 1.1 m -106.16 -7.38 10.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 73.349999999999994 109.269 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -179.04 -159.66 23.61 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.52 1.137 . . . . 24.239999999999998 111.043 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 565' ' ' HIS . . . . . . . . . . . . . 28.1 m80 -126.14 147.72 49.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 0.771 . . . . 74.239999999999995 109.592 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 566' ' ' GLY . . . . . 0.512 ' O ' HD11 ' A' ' 569' ' ' LEU . . . -74.95 -17.03 80.25 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.501 1.126 . . . . 71.319999999999993 111.008 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 567' ' ' SER . . . . . 0.416 ' OG ' HG23 ' A' ' 549' ' ' VAL . 8.8 t -101.85 9.61 40.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 0.746 . . . . 73.310000000000002 110.0 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -111.69 -17.74 12.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 71.049999999999997 109.289 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 569' ' ' LEU . . . . . 1.042 HD23 HD11 ' A' ' 554' ' ' LEU . 0.2 OUTLIER -85.55 162.72 18.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 54.310000000000002 109.257 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 570' ' ' ARG . . . . . 0.447 ' CB ' ' O ' ' A' ' 660' ' ' PRO . 0.0 OUTLIER -155.93 149.13 24.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 74.5 110.314 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 571' ' ' LYS . . . . . 0.483 ' HE2' ' CE1' ' A' ' 577' ' ' HIS . 17.8 ttmt -74.0 158.66 33.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 64.239999999999995 109.272 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 572' ' ' VAL . . . . . 0.516 HG12 ' HG2' ' A' ' 573' ' ' GLU . 2.2 t -119.3 107.98 22.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 74.329999999999998 109.299 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 573' ' ' GLU . . . . . 0.516 ' HG2' HG12 ' A' ' 572' ' ' VAL . 11.4 pt-20 43.89 36.02 1.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 75.349999999999994 110.296 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 47.07 48.57 19.43 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.554 1.159 . . . . 52.229999999999997 111.032 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 2.0 m -116.21 -44.76 2.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 0.772 . . . . 65.040000000000006 110.376 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 576' ' ' HIS . . . . . 0.466 ' O ' HG13 ' A' ' 578' ' ' VAL . 6.0 m80 -164.14 140.7 6.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 70.230000000000004 109.591 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 577' ' ' HIS . . . . . 0.694 ' CG ' ' CE3' ' A' ' 652' ' ' TRP . 40.6 m-70 -66.4 129.69 40.68 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.491 1.119 . . . . 64.430000000000007 109.629 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 578' ' ' VAL . . . . . 0.502 ' CG2' HG23 ' A' ' 572' ' ' VAL . 4.4 m -134.76 125.14 45.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 71.349999999999994 109.351 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 579' ' ' ASN . . . . . 0.5 ' HB3' HD23 ' A' ' 633' ' ' LEU . 2.1 t-20 -94.21 118.61 31.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 62.210000000000001 109.304 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 580' ' ' VAL . . . . . 0.841 HG22 HD22 ' A' ' 630' ' ' LEU . 3.7 t -91.3 138.23 20.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 71.010000000000005 109.311 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 581' ' ' ASN . . . . . 0.496 HD21 ' ND2' ' A' ' 583' ' ' ASN . 23.5 t-20 173.14 130.89 0.1 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 63.399999999999999 109.303 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 582' ' ' PRO . . . . . 0.424 ' HD2' ' ND2' ' A' ' 581' ' ' ASN . 18.2 Cg_endo -75.0 -25.93 11.4 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.532 1.806 . . . . 72.129999999999995 110.992 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 583' ' ' ASN . . . . . 0.496 ' ND2' HD21 ' A' ' 581' ' ' ASN . 0.2 OUTLIER -80.14 -0.6 36.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 65.299999999999997 109.291 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 584' ' ' PHE . . . . . 0.491 ' O ' ' CD2' ' A' ' 588' ' ' TYR . 2.2 t80 -78.1 -28.74 48.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 62.32 111.004 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 11.3 p -60.08 -27.41 66.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.09 . . . . 64.099999999999994 109.946 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -87.22 -11.64 49.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 60.450000000000003 109.28 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 587' ' ' TYR . . . . . 0.674 ' CD1' HG12 ' A' ' 563' ' ' VAL . 2.8 m-85 -97.99 5.14 49.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 74.439999999999998 111.015 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 588' ' ' TYR . . . . . 0.866 ' CD1' HG23 ' A' ' 610' ' ' ILE . 1.0 OUTLIER -168.14 158.9 10.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 73.510000000000005 111.029 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 589' ' ' ASN . . . . . 0.483 ' ND2' ' N ' ' A' ' 589' ' ' ASN . 0.0 OUTLIER -135.57 121.85 20.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.459 1.099 . . . . 74.329999999999998 109.31 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 590' ' ' VAL . . . . . 0.71 HG23 ' HE1' ' A' ' 588' ' ' TYR . 67.1 t -72.45 149.65 8.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 74.239999999999995 109.328 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 591' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 592' ' ' ARG . 4.2 t -50.44 136.89 19.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 75.25 109.993 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 592' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 591' ' ' SER . 0.0 OUTLIER -36.28 -58.46 0.68 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 62.240000000000002 110.338 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 593' ' ' ASP . . . . . 0.401 ' O ' ' O ' ' A' ' 591' ' ' SER . 1.5 m-20 -45.91 158.26 0.36 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 75.510000000000005 109.346 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -61.25 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.474 1.776 . . . . 53.43 111.014 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 595' ' ' VAL . . . . . 0.52 HG11 ' HG2' ' A' ' 606' ' ' PRO . 86.4 t -144.31 119.84 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 74.040000000000006 109.313 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 596' ' ' VAL . . . . . . . . . . . . . 2.1 t -135.95 84.14 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 65.519999999999996 109.309 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 597' ' ' ILE . . . . . 0.551 ' CD1' HD12 ' A' ' 621' ' ' LEU . 3.8 mm -121.09 154.4 24.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 65.200000000000003 109.325 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 598' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -68.03 -10.61 55.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 71.540000000000006 109.355 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 599' ' ' LYS . . . . . 0.426 ' HG2' ' N ' ' A' ' 600' ' ' VAL . 0.0 OUTLIER -173.88 -174.66 0.96 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.13 . . . . 55.439999999999998 109.3 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 600' ' ' VAL . . . . . 0.43 HG13 ' HD3' ' A' ' 606' ' ' PRO . 58.2 t -126.61 150.07 32.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.118 . . . . 74.109999999999999 109.318 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 601' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -103.37 168.22 9.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 72.230000000000004 111.007 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 602' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 603' ' ' ASP . 70.1 mmtt -102.17 -55.03 2.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 73.530000000000001 109.33 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 603' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 602' ' ' LYS . 1.1 m-20 -39.94 -40.76 1.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 74.010000000000005 109.339 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 604' ' ' TRP . . . . . 0.513 ' CE2' ' SD ' ' A' ' 623' ' ' MET . 0.4 OUTLIER -157.31 164.44 37.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 74.019999999999996 107.991 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 605' ' ' LYS . . . . . 0.403 ' O ' ' SD ' ' A' ' 623' ' ' MET . 6.5 ptpt -92.13 163.41 27.3 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 73.530000000000001 109.309 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 606' ' ' PRO . . . . . 0.52 ' HG2' HG11 ' A' ' 595' ' ' VAL . 18.3 Cg_endo -75.05 161.09 39.19 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.513 1.797 . . . . 53.219999999999999 111.015 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 607' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 622' ' ' GLN . . . -123.55 -59.62 0.19 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.539 1.149 . . . . 71.25 110.989 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 608' ' ' GLY . . . . . 0.42 ' O ' ' HA ' ' A' ' 621' ' ' LEU . . . 148.23 148.23 4.7 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.021 -0.832 . . . . 63.450000000000003 111.021 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 609' ' ' VAL . . . . . 0.498 HG12 HG13 ' A' ' 618' ' ' VAL . 11.8 t -56.27 131.23 19.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.535 0.785 . . . . 71.340000000000003 109.339 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 610' ' ' ILE . . . . . 0.866 HG23 ' CD1' ' A' ' 588' ' ' TYR . 0.8 OUTLIER -103.68 143.92 14.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 54.530000000000001 109.309 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 611' ' ' SER . . . . . 0.401 ' O ' ' HA ' ' A' ' 588' ' ' TYR . 0.7 OUTLIER -137.07 118.35 14.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 63.32 109.979 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 612' ' ' CYS . . . . . 0.483 ' HB2' ' CE2' ' A' ' 619' ' ' TRP . 42.2 t -49.01 118.45 2.63 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.502 1.126 . . . . 72.420000000000002 108.301 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -67.61 -28.83 68.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.577 1.173 . . . . 64.230000000000004 110.305 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 614' ' ' ASN . . . . . 0.503 ' ND2' HG22 ' A' ' 561' ' ' VAL . 47.7 m-20 -65.8 -39.36 90.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 71.140000000000001 109.286 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 615' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -123.47 -76.15 0.59 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 62.229999999999997 108.323 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 616' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 148.77 -18.28 1.25 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.493 1.121 . . . . 72.209999999999994 110.961 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -42.7 102.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 0.74 . . . . 53.509999999999998 110.258 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 618' ' ' VAL . . . . . 0.498 HG13 HG12 ' A' ' 609' ' ' VAL . 86.2 t -55.66 109.31 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.171 . . . . 73.319999999999993 109.335 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 619' ' ' TRP . . . . . 0.527 ' NE1' ' CE ' ' A' ' 638' ' ' MET . 30.3 m0 -66.9 -54.75 19.08 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.973 -1.121 . . . . 74.219999999999999 107.973 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 620' ' ' GLY . . . . . 0.407 ' O ' ' HA ' ' A' ' 609' ' ' VAL . . . -178.82 -96.83 0.1 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.515 1.134 . . . . 54.020000000000003 111.008 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 621' ' ' LEU . . . . . 0.819 ' C ' HD23 ' A' ' 621' ' ' LEU . 0.0 OUTLIER -162.74 170.72 17.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 0.761 . . . . 42.420000000000002 109.321 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 622' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 607' ' ' GLY . 0.6 OUTLIER -101.9 157.62 16.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 75.150000000000006 110.295 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 623' ' ' MET . . . . . 0.678 ' C ' HD12 ' A' ' 624' ' ' ILE . 9.8 mmt -140.83 149.87 42.56 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.51 1.132 . . . . 64.120000000000005 110.993 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 624' ' ' ILE . . . . . 0.776 ' N ' HD12 ' A' ' 624' ' ' ILE . 2.7 mp -121.46 124.97 72.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 73.439999999999998 109.271 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 625' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -131.82 111.65 11.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 74.209999999999994 111.017 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 626' ' ' LYS . . . . . 0.507 ' O ' ' CB ' ' A' ' 627' ' ' SER . 0.0 OUTLIER 63.74 21.35 12.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 73.439999999999998 109.305 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 627' ' ' SER . . . . . 0.507 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.2 p 85.66 37.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 42.340000000000003 109.955 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 628' ' ' VAL . . . . . 0.756 ' CG1' HD21 ' A' ' 630' ' ' LEU . 54.6 t -124.9 114.38 40.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 71.310000000000002 109.27 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 629' ' ' LYS . . . . . 0.467 ' O ' HD23 ' A' ' 630' ' ' LEU . 3.4 mmmm -75.31 100.35 4.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 74.140000000000001 109.286 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 630' ' ' LEU . . . . . 0.841 HD22 HG22 ' A' ' 580' ' ' VAL . 32.6 mt -119.0 111.63 37.0 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 74.319999999999993 109.274 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 631' ' ' PRO . . . . . 0.648 ' HB2' HD11 ' A' ' 633' ' ' LEU . 18.2 Cg_endo -75.03 138.51 23.05 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.494 1.786 . . . . 70.030000000000001 110.987 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 632' ' ' VAL . . . . . 0.529 ' C ' HD13 ' A' ' 633' ' ' LEU . 31.0 t -100.09 89.08 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 73.329999999999998 109.267 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 633' ' ' LEU . . . . . 0.707 ' N ' HD13 ' A' ' 633' ' ' LEU . 0.1 OUTLIER -91.3 171.35 9.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 74.219999999999999 109.285 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 634' ' ' LYS . . . . . 0.581 ' CE ' ' CG ' ' A' ' 636' ' ' ARG . 1.5 ptmt -111.63 -171.39 1.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 74.409999999999997 109.324 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 635' ' ' VAL . . . . . 0.465 HG12 ' CD1' ' A' ' 652' ' ' TRP . 1.3 p -106.74 -44.31 7.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 74.219999999999999 109.259 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 636' ' ' ARG . . . . . 0.877 ' O ' HD13 ' A' ' 557' ' ' ILE . 2.9 ptp180 -60.15 -14.49 17.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 61.549999999999997 110.266 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 1.6 t -108.47 -16.11 14.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 50.340000000000003 109.988 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 638' ' ' MET . . . . . 0.527 ' CE ' ' NE1' ' A' ' 619' ' ' TRP . 34.9 mmt -106.41 122.35 46.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 71.349999999999994 110.981 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 639' ' ' LEU . . . . . 0.76 HD13 ' H ' ' A' ' 640' ' ' LEU . 0.3 OUTLIER -86.29 146.71 26.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 72.349999999999994 109.355 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 640' ' ' LEU . . . . . 0.76 ' H ' HD13 ' A' ' 639' ' ' LEU . 12.5 mt -114.33 95.47 5.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 60.109999999999999 109.331 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . 0.64 ' HB2' HD11 ' A' ' 555' ' ' LEU . 10.3 mt-10 -73.93 126.19 29.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 73.420000000000002 110.277 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 642' ' ' THR . . . . . 0.431 HG21 HD12 ' A' ' 647' ' ' ILE . 0.1 OUTLIER -138.83 159.98 64.93 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 74.549999999999997 110.38 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 1.22 8.01 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.509 1.794 . . . . 74.019999999999996 111.015 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 644' ' ' GLN . . . . . 0.433 ' NE2' ' O ' ' A' ' 546' ' ' GLN . 20.2 mt-30 -105.41 -10.67 16.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 71.340000000000003 110.285 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 124.46 134.69 4.28 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.514 1.134 . . . . 71.310000000000002 111.003 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 646' ' ' ARG . . . . . 0.436 ' HB3' HD11 ' A' ' 639' ' ' LEU . 7.2 mtm105 -44.31 148.84 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 0.729 . . . . 72.299999999999997 110.316 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 647' ' ' ILE . . . . . 0.431 HD12 HG21 ' A' ' 642' ' ' THR . 20.9 mt -138.72 138.82 41.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 70.549999999999997 109.296 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 648' ' ' GLN . . . . . 0.401 ' OE1' ' O ' ' A' ' 649' ' ' ALA . 0.1 OUTLIER -135.13 110.78 9.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 63.130000000000003 110.292 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 649' ' ' ALA . . . . . 0.501 ' HB1' ' HB2' ' A' ' 654' ' ' ARG . . . -106.54 165.72 11.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 53.200000000000003 109.319 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 11.9 mmtt -96.82 -32.77 11.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 55.299999999999997 109.302 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 18.7 mmmt -124.29 144.52 49.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 70.219999999999999 109.289 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 652' ' ' TRP . . . . . 0.694 ' CE3' ' CG ' ' A' ' 577' ' ' HIS . 42.5 m95 -61.53 -17.04 53.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 63.210000000000001 108.002 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 12.6 t -63.21 -12.97 32.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 62.399999999999999 110.016 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 654' ' ' ARG . . . . . 0.501 ' HB2' ' HB1' ' A' ' 649' ' ' ALA . 10.4 mmt180 -104.91 -26.62 12.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 75.129999999999995 110.3 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 655' ' ' VAL . . . . . 0.758 HG22 HD11 ' A' ' 640' ' ' LEU . 2.2 t -42.01 129.38 2.61 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.102 . . . . 53.399999999999999 109.289 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 656' ' ' PRO . . . . . 0.537 ' HD2' HD13 ' A' ' 640' ' ' LEU . 18.2 Cg_endo -75.01 -52.76 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.49 1.784 . . . . 74.120000000000005 110.982 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 657' ' ' PHE . . . . . 0.927 ' CE1' HG22 ' A' ' 659' ' ' VAL . 18.0 p90 -61.7 149.12 40.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.439 1.087 . . . . 72.129999999999995 110.944 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -84.71 146.37 27.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 72.349999999999994 109.992 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 659' ' ' VAL . . . . . 0.927 HG22 ' CE1' ' A' ' 657' ' ' PHE . 1.7 t -122.75 96.52 45.28 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 62.310000000000002 109.271 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 660' ' ' PRO . . . . . 0.447 ' O ' ' CB ' ' A' ' 570' ' ' ARG . 18.3 Cg_endo -75.0 147.38 33.85 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.474 1.776 . . . . 71.430000000000007 111.035 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 661' ' ' ASP . . . . . 0.404 ' HA ' ' O ' ' A' ' 571' ' ' LYS . 10.0 p30 -59.08 162.56 4.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 74.140000000000001 109.34 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 662' ' ' PHE . . . . . 0.743 ' CZ ' HG11 ' A' ' 628' ' ' VAL . 29.8 t80 -81.4 110.38 16.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 74.209999999999994 110.985 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 663' ' ' ASP . . . . . 0.423 ' O ' ' CB ' ' A' ' 667' ' ' HIS . 80.5 m-20 -71.2 109.14 5.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 74.329999999999998 109.3 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 664' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -79.46 -26.93 41.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 73.329999999999998 110.982 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 15.1 mt -76.31 -40.62 51.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 64.0 109.273 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -79.28 -48.68 13.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 71.200000000000003 110.293 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 667' ' ' HIS . . . . . 0.609 ' ND1' ' CE2' ' A' ' 662' ' ' PHE . 6.3 t60 -55.67 -44.92 77.71 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.529 1.143 . . . . 73.409999999999997 109.579 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 668' ' ' CYS . . . . . . . . . . . . . 42.9 t -68.87 -30.88 69.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 61.32 108.272 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -75.64 -11.57 60.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 53.049999999999997 109.346 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 670' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -115.73 -4.23 12.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 75.299999999999997 110.31 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 671' ' ' ASN . . . . . 0.46 ' ND2' ' CD2' ' A' ' 667' ' ' HIS . 1.2 m-80 -105.85 -17.99 14.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 74.140000000000001 109.32 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 10.9 mt -99.8 -174.96 2.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 52.409999999999997 109.31 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -125.14 8.7 7.97 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.483 1.114 . . . . 74.420000000000002 110.001 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -60.16 -20.84 60.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 64.230000000000004 109.316 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 675' ' ' LEU . . . . . 0.53 ' N ' HD22 ' A' ' 675' ' ' LEU . 2.6 mm? -77.75 -66.1 0.88 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 74.340000000000003 109.278 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 676' ' ' SER . . . . . 0.719 ' C ' HD13 ' A' ' 677' ' ' LEU . 5.0 p -164.06 175.25 10.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 70.400000000000006 109.983 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 677' ' ' LEU . . . . . 0.719 HD13 ' C ' ' A' ' 676' ' ' SER . 0.1 OUTLIER -115.23 -40.51 3.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 70.329999999999998 109.318 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 28.1 t0 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 75.109999999999999 109.286 179.961 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 679' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.019 -0.832 . . . . 24.140000000000001 111.019 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 165.68 30.81 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.48 1.779 . . . . 71.430000000000007 110.992 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -72.81 163.96 27.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 64.120000000000005 109.603 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 545' ' ' MET . . . . . . . . . . . . . 34.3 mmm -97.78 68.95 2.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 61.43 111.006 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 546' ' ' GLN . . . . . 0.539 ' O ' ' CG ' ' A' ' 547' ' ' PHE . 5.6 mt-30 -99.42 164.42 12.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.122 . . . . 63.32 110.277 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 547' ' ' PHE . . . . . 0.675 ' CE1' HD11 ' A' ' 647' ' ' ILE . 93.8 m-85 -163.13 96.06 1.09 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 62.109999999999999 111.0 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 548' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 145.04 31.03 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.471 1.774 . . . . 51.43 111.044 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 549' ' ' VAL . . . . . 0.52 HG12 ' HB2' ' A' ' 657' ' ' PHE . 28.0 m -54.92 -43.97 70.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.108 . . . . 75.109999999999999 109.285 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -57.1 -18.68 15.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 74.439999999999998 110.267 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -101.48 -22.89 14.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 61.210000000000001 109.601 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 552' ' ' VAL . . . . . 0.782 HG21 ' HB3' ' A' ' 657' ' ' PHE . 55.3 t -88.78 129.67 39.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 51.210000000000001 109.338 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -117.86 148.76 41.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 72.400000000000006 110.32 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 554' ' ' LEU . . . . . 0.914 HD11 HD23 ' A' ' 569' ' ' LEU . 1.2 mt -92.06 114.08 26.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 63.240000000000002 109.303 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 555' ' ' LEU . . . . . 0.812 HD11 ' HB2' ' A' ' 641' ' ' GLU . 0.2 OUTLIER -135.06 177.26 7.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 71.409999999999997 109.314 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 556' ' ' CYS . . . . . 0.545 ' O ' ' N ' ' A' ' 560' ' ' MET . 5.3 t -102.51 102.55 12.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.013 -0.994 . . . . 73.319999999999993 110.881 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 557' ' ' ILE . . . . . 0.861 HD13 ' O ' ' A' ' 636' ' ' ARG . 1.3 pt -34.65 -34.21 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 73.140000000000001 109.299 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 558' ' ' ASN . . . . . 0.515 ' N ' ' O ' ' A' ' 556' ' ' CYS . 5.1 m-20 -73.95 -62.02 1.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 52.420000000000002 109.311 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 559' ' ' CYS . . . . . 0.494 ' O ' ' HB2' ' A' ' 560' ' ' MET . 1.7 m -80.59 -67.98 0.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 61.020000000000003 108.279 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 560' ' ' MET . . . . . 0.545 ' N ' ' O ' ' A' ' 556' ' ' CYS . 25.0 mtm 78.26 45.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 72.299999999999997 111.04 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 561' ' ' VAL . . . . . 0.696 ' O ' ' HB3' ' A' ' 562' ' ' ALA . 1.0 OUTLIER -104.95 -4.79 9.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 64.329999999999998 109.323 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 562' ' ' ALA . . . . . 0.696 ' HB3' ' O ' ' A' ' 561' ' ' VAL . . . 85.78 101.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 75.25 109.337 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 563' ' ' VAL . . . . . 0.693 HG12 ' CD1' ' A' ' 587' ' ' TYR . 1.7 m -99.71 -6.2 9.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 70.349999999999994 109.311 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -179.92 -160.22 25.05 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.505 1.128 . . . . 53.200000000000003 110.999 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 565' ' ' HIS . . . . . . . . . . . . . 15.0 m-70 -127.22 148.72 50.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 0.768 . . . . 63.020000000000003 109.557 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 566' ' ' GLY . . . . . 0.573 ' O ' HD11 ' A' ' 569' ' ' LEU . . . -74.64 -9.67 82.55 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.517 1.135 . . . . 73.209999999999994 111.009 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 15.9 t -106.5 7.58 30.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 0.758 . . . . 45.43 109.974 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -113.48 -11.9 13.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 74.140000000000001 109.35 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 569' ' ' LEU . . . . . 0.914 HD23 HD11 ' A' ' 554' ' ' LEU . 0.2 OUTLIER -86.04 151.4 23.74 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 71.109999999999999 109.33 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 570' ' ' ARG . . . . . 0.746 ' HA ' HG23 ' A' ' 659' ' ' VAL . 92.0 mtt-85 -143.66 132.08 22.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 65.230000000000004 110.314 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 4.1 ptpt -73.99 158.25 34.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 71.329999999999998 109.274 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 572' ' ' VAL . . . . . 0.498 HG23 ' CG2' ' A' ' 578' ' ' VAL . 2.7 t -109.34 102.34 13.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 64.310000000000002 109.34 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 573' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 572' ' ' VAL . 8.0 pt-20 38.67 30.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 74.200000000000003 110.29 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 574' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 572' ' ' VAL . . . 58.54 49.66 74.64 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.54 1.15 . . . . 33.240000000000002 110.989 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 575' ' ' THR . . . . . 0.531 ' O ' ' CG ' ' A' ' 576' ' ' HIS . 2.0 m -117.23 -35.89 3.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 0.749 . . . . 35.020000000000003 110.437 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 576' ' ' HIS . . . . . 0.848 ' O ' HG13 ' A' ' 578' ' ' VAL . 6.0 m80 -173.64 109.51 0.16 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 72.510000000000005 109.598 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 577' ' ' HIS . . . . . 0.716 ' CD2' ' CE3' ' A' ' 652' ' ' TRP . 11.3 m80 -47.12 127.52 10.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 75.239999999999995 109.618 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 578' ' ' VAL . . . . . 0.848 HG13 ' O ' ' A' ' 576' ' ' HIS . 23.1 m -133.23 108.41 12.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 75.140000000000001 109.309 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 579' ' ' ASN . . . . . 0.577 ' OD1' ' CE1' ' A' ' 584' ' ' PHE . 1.5 t-20 -76.55 115.27 16.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.533 1.146 . . . . 65.129999999999995 109.301 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 580' ' ' VAL . . . . . 0.947 HG22 HD22 ' A' ' 630' ' ' LEU . 3.6 t -85.65 138.72 18.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 74.030000000000001 109.327 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 581' ' ' ASN . . . . . 0.469 ' CB ' ' HB2' ' A' ' 584' ' ' PHE . 2.9 m120 178.06 129.27 0.21 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 71.319999999999993 109.278 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 582' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -34.44 3.86 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.488 1.783 . . . . 71.25 111.028 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 583' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -78.23 -3.05 40.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 74.439999999999998 109.316 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 584' ' ' PHE . . . . . 0.577 ' CE1' ' OD1' ' A' ' 579' ' ' ASN . 2.3 t80 -71.18 -32.43 68.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 73.340000000000003 110.978 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 585' ' ' SER . . . . . 0.531 ' HA ' ' CE2' ' A' ' 588' ' ' TYR . 72.8 m -59.38 -23.48 62.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 73.299999999999997 110.021 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -87.38 -15.7 37.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 74.239999999999995 109.29 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 587' ' ' TYR . . . . . 0.693 ' CD1' HG12 ' A' ' 563' ' ' VAL . 5.1 m-85 -94.24 2.07 55.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 71.109999999999999 111.013 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 588' ' ' TYR . . . . . 0.702 ' CD1' HG23 ' A' ' 610' ' ' ILE . 2.1 p90 -161.17 163.55 31.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 60.530000000000001 110.996 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 589' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -131.09 126.46 35.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 73.319999999999993 109.301 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 590' ' ' VAL . . . . . 0.645 HG23 ' HE1' ' A' ' 588' ' ' TYR . 13.2 t -72.79 141.42 16.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 51.350000000000001 109.283 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 591' ' ' SER . . . . . 0.402 ' OG ' ' N ' ' A' ' 592' ' ' ARG . 3.9 t -54.68 174.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 75.239999999999995 110.014 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 592' ' ' ARG . . . . . 0.402 ' N ' ' OG ' ' A' ' 591' ' ' SER . 66.0 ttt180 -79.03 -42.86 25.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 73.040000000000006 110.283 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.96 149.82 16.57 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 63.020000000000003 109.29 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -89.6 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.539 1.81 . . . . 42.020000000000003 111.011 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 595' ' ' VAL . . . . . 0.65 HG13 ' HG2' ' A' ' 606' ' ' PRO . 50.8 t -103.65 127.01 58.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 70.140000000000001 109.317 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 596' ' ' VAL . . . . . . . . . . . . . 2.9 t -134.63 78.95 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 63.350000000000001 109.303 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 597' ' ' ILE . . . . . 0.63 HD12 ' HB3' ' A' ' 606' ' ' PRO . 2.5 mt -143.28 154.24 16.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 72.230000000000004 109.284 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 598' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -62.82 -51.65 66.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 75.150000000000006 109.302 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -136.35 132.97 36.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 74.239999999999995 109.339 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 600' ' ' VAL . . . . . 0.403 HG13 ' HD3' ' A' ' 606' ' ' PRO . 2.5 t -82.97 148.1 5.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 64.409999999999997 109.291 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 601' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -117.19 165.44 13.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 73.219999999999999 111.005 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 602' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -97.57 -49.75 4.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 73.400000000000006 109.34 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -45.0 -40.14 6.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 70.430000000000007 109.24 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 604' ' ' TRP . . . . . 0.488 ' CE3' ' HB3' ' A' ' 623' ' ' MET . 0.6 OUTLIER -157.15 123.7 4.99 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.999 -1.112 . . . . 73.299999999999997 107.999 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 605' ' ' LYS . . . . . . . . . . . . . 9.4 pttt -86.61 165.33 33.38 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 74.019999999999996 109.234 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 606' ' ' PRO . . . . . 0.65 ' HG2' HG13 ' A' ' 595' ' ' VAL . 18.4 Cg_endo -75.04 -169.47 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.497 1.788 . . . . 75.049999999999997 111.008 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 607' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 622' ' ' GLN . . . -150.44 -74.27 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.503 1.127 . . . . 40.329999999999998 111.01 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 608' ' ' GLY . . . . . 0.489 ' HA3' HG13 ' A' ' 590' ' ' VAL . . . 176.53 161.36 25.32 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.009 -0.836 . . . . 74.540000000000006 111.009 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 10.9 t -63.8 131.87 29.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.504 0.767 . . . . 72.5 109.318 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 610' ' ' ILE . . . . . 0.702 HG23 ' CD1' ' A' ' 588' ' ' TYR . 0.6 OUTLIER -99.81 142.5 15.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 72.409999999999997 109.295 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -134.66 129.11 34.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 73.430000000000007 110.026 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 612' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 616' ' ' GLY . 38.1 t -59.12 108.06 0.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 75.329999999999998 108.291 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 7.7 ttt180 -64.95 -32.96 74.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 73.540000000000006 110.255 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 614' ' ' ASN . . . . . 0.414 ' ND2' HG21 ' A' ' 561' ' ' VAL . 3.5 m120 -57.77 -48.38 79.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 72.340000000000003 109.251 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 615' ' ' CYS . . . . . 0.433 ' SG ' ' N ' ' A' ' 559' ' ' CYS . 3.1 m -117.83 -73.66 0.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 61.329999999999998 108.289 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 616' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 157.17 -23.77 0.46 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.461 1.101 . . . . 62.219999999999999 111.005 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -42.76 109.12 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 0.742 . . . . 74.030000000000001 110.313 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 11.6 t -58.12 131.12 22.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 71.109999999999999 109.321 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 619' ' ' TRP . . . . . 0.534 ' NE1' ' CE ' ' A' ' 638' ' ' MET . 45.1 m0 -88.04 -46.33 9.42 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.952 -1.129 . . . . 74.450000000000003 107.952 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 620' ' ' GLY . . . . . . . . . . . . . . . 166.09 -108.44 0.32 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.496 1.122 . . . . 63.549999999999997 110.988 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 621' ' ' LEU . . . . . 0.658 ' C ' HD12 ' A' ' 621' ' ' LEU . 0.4 OUTLIER -149.32 169.95 19.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 0.763 . . . . 74.099999999999994 109.354 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 622' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 607' ' ' GLY . 1.1 tt0 -105.21 138.69 41.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 55.240000000000002 110.278 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 623' ' ' MET . . . . . 0.617 ' HG3' HG21 ' A' ' 632' ' ' VAL . 16.6 mmm -131.37 133.06 44.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 72.439999999999998 111.036 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 624' ' ' ILE . . . . . 0.446 ' N ' HD12 ' A' ' 624' ' ' ILE . 5.2 mp -99.98 137.71 26.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 75.230000000000004 109.306 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 625' ' ' TYR . . . . . 0.473 ' CD2' ' O ' ' A' ' 625' ' ' TYR . 15.0 t80 -136.77 105.02 5.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 73.510000000000005 110.975 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 626' ' ' LYS . . . . . 0.511 ' O ' ' CB ' ' A' ' 627' ' ' SER . 6.7 mmpt? 70.73 21.7 5.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 74.349999999999994 109.336 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 627' ' ' SER . . . . . 0.511 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.2 p 85.58 39.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 74.239999999999995 110.006 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 628' ' ' VAL . . . . . 0.728 HG12 ' HG ' ' A' ' 630' ' ' LEU . 43.5 t -129.39 110.48 20.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 74.120000000000005 109.294 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm -68.42 99.46 0.96 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 72.510000000000005 109.311 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 630' ' ' LEU . . . . . 0.947 HD22 HG22 ' A' ' 580' ' ' VAL . 46.0 mt -115.3 111.86 44.24 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 71.450000000000003 109.3 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 631' ' ' PRO . . . . . 0.686 ' HB2' HD11 ' A' ' 633' ' ' LEU . 18.2 Cg_endo -75.01 140.79 25.83 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.473 1.775 . . . . 73.109999999999999 110.998 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 632' ' ' VAL . . . . . 0.85 ' C ' HD13 ' A' ' 633' ' ' LEU . 5.5 t -106.27 99.98 9.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 61.219999999999999 109.302 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 633' ' ' LEU . . . . . 0.85 HD13 ' C ' ' A' ' 632' ' ' VAL . 0.0 OUTLIER -104.54 171.31 7.4 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.123 . . . . 72.530000000000001 109.271 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 634' ' ' LYS . . . . . 0.478 ' CD ' ' O ' ' A' ' 619' ' ' TRP . 0.5 OUTLIER -97.93 -172.3 2.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 74.549999999999997 109.283 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 635' ' ' VAL . . . . . 0.526 HG11 ' CA ' ' A' ' 651' ' ' LYS . 4.2 p -109.1 -22.69 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 71.200000000000003 109.298 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 636' ' ' ARG . . . . . 0.861 ' O ' HD13 ' A' ' 557' ' ' ILE . 0.0 OUTLIER -83.99 -12.49 55.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 73.420000000000002 110.286 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 637' ' ' SER . . . . . 0.473 ' O ' ' HE2' ' A' ' 638' ' ' MET . 11.0 m -102.25 -15.39 16.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.12 . . . . 74.349999999999994 110.04 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 638' ' ' MET . . . . . 0.534 ' CE ' ' NE1' ' A' ' 619' ' ' TRP . 34.6 mmt -109.81 128.8 55.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 74.420000000000002 110.982 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 639' ' ' LEU . . . . . 0.693 HD12 ' HA ' ' A' ' 557' ' ' ILE . 0.7 OUTLIER -95.81 150.85 19.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 64.349999999999994 109.307 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 640' ' ' LEU . . . . . 0.492 HD13 ' O ' ' A' ' 639' ' ' LEU . 0.9 OUTLIER -113.41 94.75 5.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 64.129999999999995 109.311 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . 0.812 ' HB2' HD11 ' A' ' 555' ' ' LEU . 7.0 mt-10 -73.82 121.6 21.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 50.240000000000002 110.27 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 642' ' ' THR . . . . . 0.627 HG21 HD12 ' A' ' 647' ' ' ILE . 0.1 OUTLIER -131.33 160.12 68.6 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 52.32 110.411 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 1.79 7.31 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.523 1.801 . . . . 71.299999999999997 110.974 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -108.96 -4.55 16.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 71.230000000000004 110.294 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 124.27 146.02 6.83 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.53 1.144 . . . . 54.210000000000001 111.039 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 646' ' ' ARG . . . . . 0.458 ' HB3' HD21 ' A' ' 639' ' ' LEU . 55.2 mtm-85 -55.81 146.37 21.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 0.746 . . . . 75.129999999999995 110.332 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 647' ' ' ILE . . . . . 0.675 HD11 ' CE1' ' A' ' 547' ' ' PHE . 49.2 mt -136.24 121.51 27.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 35.140000000000001 109.27 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 648' ' ' GLN . . . . . 0.417 ' NE2' ' HA ' ' A' ' 636' ' ' ARG . 0.8 OUTLIER -120.83 109.77 15.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 74.549999999999997 110.32 179.921 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 649' ' ' ALA . . . . . . . . . . . . . . . -107.32 176.07 5.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.437 1.086 . . . . 71.409999999999997 109.298 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 28.4 mttm -124.25 1.62 8.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 73.340000000000003 109.277 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 651' ' ' LYS . . . . . 0.526 ' CA ' HG11 ' A' ' 635' ' ' VAL . 0.7 OUTLIER -145.24 137.35 25.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 54.420000000000002 109.292 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 652' ' ' TRP . . . . . 0.716 ' CE3' ' CD2' ' A' ' 577' ' ' HIS . 65.0 m95 -66.98 -12.33 59.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 74.409999999999997 108.0 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 47.1 t -72.04 -19.98 61.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 63.509999999999998 109.991 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 654' ' ' ARG . . . . . . . . . . . . . 10.3 mmt180 -103.06 -16.33 15.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 72.140000000000001 110.312 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 655' ' ' VAL . . . . . 0.665 HG13 ' CD1' ' A' ' 657' ' ' PHE . 2.2 t -40.23 132.97 1.57 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 71.120000000000005 109.287 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 656' ' ' PRO . . . . . 0.461 ' HB2' ' CB ' ' A' ' 547' ' ' PHE . 18.4 Cg_endo -75.0 -53.94 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.514 1.797 . . . . 73.349999999999994 111.005 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 657' ' ' PHE . . . . . 0.782 ' HB3' HG21 ' A' ' 552' ' ' VAL . 49.6 p90 -66.5 172.15 4.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 73.030000000000001 111.009 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 658' ' ' SER . . . . . 0.459 ' O ' HG11 ' A' ' 549' ' ' VAL . 0.8 OUTLIER -120.46 150.05 41.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 71.319999999999993 109.969 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 659' ' ' VAL . . . . . 0.746 HG23 ' HA ' ' A' ' 570' ' ' ARG . 0.1 OUTLIER -149.29 115.3 3.63 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 65.420000000000002 109.317 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 660' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 173.68 14.09 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.531 1.806 . . . . 72.109999999999999 110.975 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.32 150.77 44.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 64.120000000000005 109.298 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 662' ' ' PHE . . . . . 0.536 ' CZ ' ' CG ' ' A' ' 667' ' ' HIS . 64.1 t80 -63.85 110.88 2.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 75.129999999999995 110.981 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 663' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -81.44 118.5 22.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 72.209999999999994 109.316 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 664' ' ' PHE . . . . . 0.499 ' O ' ' CB ' ' A' ' 668' ' ' CYS . 7.2 t80 -74.14 -39.83 63.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 74.420000000000002 110.983 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 20.2 mt -62.5 -34.55 77.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 73.420000000000002 109.262 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 666' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 669' ' ' ALA . 1.4 tm0? -77.92 -65.69 0.94 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 62.240000000000002 110.305 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 667' ' ' HIS . . . . . 0.565 ' HE1' HG11 ' A' ' 580' ' ' VAL . 2.1 t60 -47.84 -39.81 19.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 74.340000000000003 109.637 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 668' ' ' CYS . . . . . 0.499 ' CB ' ' O ' ' A' ' 664' ' ' PHE . 50.6 t -68.27 -35.74 78.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 73.129999999999995 108.301 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 669' ' ' ALA . . . . . 0.563 ' O ' HD23 ' A' ' 675' ' ' LEU . . . -71.32 -11.52 60.95 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.136 . . . . 63.340000000000003 109.287 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 670' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -115.83 -2.33 12.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 74.439999999999998 110.289 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 671' ' ' ASN . . . . . 0.41 ' ND2' ' CD2' ' A' ' 667' ' ' HIS . 1.6 m-80 -108.62 -15.5 14.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 52.200000000000003 109.3 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 16.1 mt -102.78 -174.94 2.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 74.319999999999993 109.332 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 41.3 m -121.93 6.09 9.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 72.439999999999998 109.964 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -53.1 -25.33 12.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 73.420000000000002 109.265 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 675' ' ' LEU . . . . . 0.563 HD23 ' O ' ' A' ' 669' ' ' ALA . 1.0 OUTLIER -87.98 -70.2 0.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 73.129999999999995 109.291 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 676' ' ' SER . . . . . . . . . . . . . 1.8 m -154.86 165.23 37.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 71.310000000000002 110.011 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 677' ' ' LEU . . . . . 0.6 HD12 ' N ' ' A' ' 677' ' ' LEU . 1.9 mp -87.16 -47.42 8.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 71.340000000000003 109.307 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 34.5 t0 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.15 . . . . 64.420000000000002 109.345 179.959 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 679' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.997 -0.841 . . . . 52.149999999999999 110.997 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 164.36 33.56 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.475 1.777 . . . . 74.209999999999994 110.997 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 24.9 m170 -65.99 161.54 21.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 74.430000000000007 109.585 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 545' ' ' MET . . . . . 0.515 ' C ' ' CE1' ' A' ' 547' ' ' PHE . 77.5 mtp -124.43 66.44 1.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 75.530000000000001 111.03 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 546' ' ' GLN . . . . . 0.593 ' C ' ' CD1' ' A' ' 547' ' ' PHE . 10.1 mt-30 -121.41 139.11 53.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 72.239999999999995 110.272 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 547' ' ' PHE . . . . . 0.593 ' CD1' ' C ' ' A' ' 546' ' ' GLN . 0.1 OUTLIER -159.28 101.77 1.54 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 75.400000000000006 110.999 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 548' ' ' PRO . . . . . 0.464 ' O ' HG23 ' A' ' 552' ' ' VAL . 18.2 Cg_endo -75.03 140.67 25.64 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.504 1.792 . . . . 75.200000000000003 111.022 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 549' ' ' VAL . . . . . 0.596 HG12 ' HB2' ' A' ' 657' ' ' PHE . 33.7 m -52.47 -46.43 47.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 63.329999999999998 109.307 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 550' ' ' GLU . . . . . 0.411 ' N ' HG23 ' A' ' 549' ' ' VAL . 3.1 pt-20 -54.03 -24.19 16.19 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 72.450000000000003 110.298 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 551' ' ' HIS . . . . . 0.449 ' CG ' ' HG2' ' A' ' 548' ' ' PRO . 23.2 m170 -98.24 -24.15 15.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 63.009999999999998 109.597 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 552' ' ' VAL . . . . . 0.588 ' CG1' HD12 ' A' ' 640' ' ' LEU . 98.9 t -88.56 121.73 39.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 73.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 553' ' ' GLN . . . . . 0.74 ' HB3' HD11 ' A' ' 555' ' ' LEU . 9.5 tt0 -107.48 169.74 8.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 54.439999999999998 110.308 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 554' ' ' LEU . . . . . 0.796 HD11 HD23 ' A' ' 569' ' ' LEU . 1.9 mt -107.7 106.54 16.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 75.040000000000006 109.313 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 555' ' ' LEU . . . . . 0.84 HD12 ' N ' ' A' ' 555' ' ' LEU . 0.1 OUTLIER -122.83 170.63 9.9 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.469 1.106 . . . . 75.219999999999999 109.283 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 556' ' ' CYS . . . . . 0.556 ' O ' ' N ' ' A' ' 560' ' ' MET . 3.6 t -102.54 110.11 21.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 114.976 -1.011 . . . . 62.340000000000003 110.923 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 557' ' ' ILE . . . . . 0.894 HD13 ' O ' ' A' ' 636' ' ' ARG . 0.7 OUTLIER -36.46 -31.89 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 74.409999999999997 109.262 -179.911 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 558' ' ' ASN . . . . . 0.502 ' N ' ' O ' ' A' ' 556' ' ' CYS . 5.7 m-20 -86.53 -67.02 0.84 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 71.040000000000006 109.307 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 559' ' ' CYS . . . . . 0.469 ' O ' ' HB2' ' A' ' 560' ' ' MET . 3.9 m -62.53 -64.97 0.76 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 71.230000000000004 108.282 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 560' ' ' MET . . . . . 0.556 ' N ' ' O ' ' A' ' 556' ' ' CYS . 10.8 mtm 68.04 40.81 2.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 64.430000000000007 111.004 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 561' ' ' VAL . . . . . 0.431 HG22 ' ND2' ' A' ' 614' ' ' ASN . 1.0 OUTLIER -115.67 11.41 7.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 61.32 109.321 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 562' ' ' ALA . . . . . 0.422 ' HA ' ' HG ' ' A' ' 555' ' ' LEU . . . 65.8 113.43 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 74.329999999999998 109.318 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 563' ' ' VAL . . . . . 0.968 HG12 ' CD1' ' A' ' 587' ' ' TYR . 0.8 OUTLIER -108.69 -16.91 8.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 51.399999999999999 109.296 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 564' ' ' GLY . . . . . 0.554 ' O ' ' CD2' ' A' ' 565' ' ' HIS . . . -159.14 -141.03 3.04 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.444 1.09 . . . . 55.520000000000003 110.993 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 565' ' ' HIS . . . . . 0.582 ' CE1' ' OE1' ' A' ' 553' ' ' GLN . 38.7 m-70 -150.09 153.16 35.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 0.768 . . . . 75.219999999999999 109.598 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 566' ' ' GLY . . . . . 0.653 ' O ' HD11 ' A' ' 569' ' ' LEU . . . -85.38 -0.9 88.26 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.496 1.123 . . . . 43.039999999999999 110.959 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 54.8 p -112.48 2.02 16.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 0.741 . . . . 73.219999999999999 109.965 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 568' ' ' ASP . . . . . 0.441 ' O ' ' NH1' ' A' ' 570' ' ' ARG . 1.6 m-20 -110.82 -18.8 13.03 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 71.219999999999999 109.307 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 569' ' ' LEU . . . . . 0.796 HD23 HD11 ' A' ' 554' ' ' LEU . 0.2 OUTLIER -77.71 157.13 30.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 70.519999999999996 109.272 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 570' ' ' ARG . . . . . 0.664 ' HA ' HG23 ' A' ' 659' ' ' VAL . 8.0 mpt_? -132.14 -177.2 4.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 72.319999999999993 110.287 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 571' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 662' ' ' PHE . 15.1 ttmt -120.0 158.32 27.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 72.400000000000006 109.311 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 2.5 t -131.75 104.58 8.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 74.219999999999999 109.287 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 573' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 38.97 39.68 0.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 42.109999999999999 110.254 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 40.84 50.65 4.12 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.534 1.146 . . . . 55.5 110.974 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 575' ' ' THR . . . . . 0.537 ' O ' ' CG ' ' A' ' 576' ' ' HIS . 2.8 m -109.8 -50.63 2.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 0.754 . . . . 61.549999999999997 110.427 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 576' ' ' HIS . . . . . 0.721 ' O ' HG13 ' A' ' 578' ' ' VAL . 29.6 m80 -163.53 106.68 0.99 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 75.140000000000001 109.579 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 577' ' ' HIS . . . . . 0.643 ' CD2' ' CG ' ' A' ' 652' ' ' TRP . 22.7 m-70 -41.08 133.48 2.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 73.310000000000002 109.572 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 578' ' ' VAL . . . . . 0.721 HG13 ' O ' ' A' ' 576' ' ' HIS . 30.3 m -129.33 109.66 18.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 73.319999999999993 109.322 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 579' ' ' ASN . . . . . 0.481 ' HB3' HD23 ' A' ' 633' ' ' LEU . 1.6 t-20 -79.69 108.32 13.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 64.299999999999997 109.32 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 580' ' ' VAL . . . . . 0.801 HG13 HD23 ' A' ' 630' ' ' LEU . 2.5 t -82.31 140.21 16.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 55.130000000000003 109.271 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 581' ' ' ASN . . . . . 0.459 ' CB ' ' HB2' ' A' ' 584' ' ' PHE . 3.2 m120 179.42 128.39 0.23 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 74.439999999999998 109.325 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 582' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -33.54 4.54 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.504 1.792 . . . . 70.319999999999993 110.993 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 583' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -80.04 0.23 32.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 64.340000000000003 109.34 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 584' ' ' PHE . . . . . 0.525 ' O ' ' CD2' ' A' ' 588' ' ' TYR . 3.0 t80 -73.16 -30.19 63.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 63.049999999999997 110.962 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 585' ' ' SER . . . . . 0.466 ' HA ' ' CE2' ' A' ' 588' ' ' TYR . 30.0 p -57.94 -23.8 55.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 75.230000000000004 110.009 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -87.73 -17.85 30.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 74.310000000000002 109.317 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 587' ' ' TYR . . . . . 0.968 ' CD1' HG12 ' A' ' 563' ' ' VAL . 7.7 m-85 -93.74 4.55 53.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 64.430000000000007 110.994 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 588' ' ' TYR . . . . . 0.832 ' CD1' HG23 ' A' ' 610' ' ' ILE . 1.3 p90 -164.06 159.91 21.07 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.142 . . . . 75.409999999999997 111.004 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 589' ' ' ASN . . . . . 0.4 ' ND2' ' HB2' ' A' ' 613' ' ' ARG . 16.3 m-80 -135.88 129.43 32.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 70.530000000000001 109.33 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 590' ' ' VAL . . . . . 0.579 HG13 ' HA3' ' A' ' 608' ' ' GLY . 21.3 t -72.55 139.98 18.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 73.010000000000005 109.338 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 591' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 592' ' ' ARG . 13.3 t -50.16 146.18 5.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 75.510000000000005 110.04 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 592' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 591' ' ' SER . 0.0 OUTLIER -36.72 -59.17 0.7 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.169 . . . . 71.230000000000004 110.287 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 593' ' ' ASP . . . . . 0.405 ' O ' ' O ' ' A' ' 591' ' ' SER . 1.1 m-20 -58.26 153.49 36.62 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 72.340000000000003 109.309 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -85.01 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.527 1.804 . . . . 60.409999999999997 111.009 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 595' ' ' VAL . . . . . 0.57 HG22 ' O ' ' A' ' 607' ' ' GLY . 76.8 t -115.94 119.2 61.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 71.400000000000006 109.285 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 596' ' ' VAL . . . . . . . . . . . . . 2.2 t -134.15 88.89 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 75.219999999999999 109.291 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 597' ' ' ILE . . . . . 0.546 HD11 ' CD1' ' A' ' 621' ' ' LEU . 3.5 mm -134.97 160.87 40.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 72.450000000000003 109.291 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 598' ' ' ASN . . . . . 0.42 ' N ' HG22 ' A' ' 597' ' ' ILE . 67.1 m-20 -73.1 -54.37 8.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 72.129999999999995 109.297 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.3 176.19 6.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 72.340000000000003 109.277 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 600' ' ' VAL . . . . . . . . . . . . . 60.4 t -118.33 154.03 20.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 74.239999999999995 109.308 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 601' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -106.23 164.95 11.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 72.430000000000007 111.03 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 602' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 603' ' ' ASP . 0.2 OUTLIER -99.9 -61.38 1.38 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 72.150000000000006 109.302 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 603' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 602' ' ' LYS . 4.1 m-20 -40.67 -33.95 0.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.1 . . . . 72.409999999999997 109.287 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 604' ' ' TRP . . . . . 0.549 ' CD2' ' SD ' ' A' ' 623' ' ' MET . 0.2 OUTLIER -157.2 174.99 14.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 74.430000000000007 107.98 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 605' ' ' LYS . . . . . . . . . . . . . 15.3 pttt -118.52 157.36 49.79 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 74.439999999999998 109.321 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 606' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 146.06 32.47 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.483 1.781 . . . . 72.219999999999999 111.015 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 607' ' ' GLY . . . . . 0.57 ' O ' HG22 ' A' ' 595' ' ' VAL . . . -111.73 -93.21 2.13 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.485 1.116 . . . . 73.299999999999997 111.019 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 608' ' ' GLY . . . . . 0.579 ' HA3' HG13 ' A' ' 590' ' ' VAL . . . -160.74 144.6 10.08 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.005 -0.838 . . . . 65.409999999999997 111.005 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 609' ' ' VAL . . . . . 0.433 ' CG1' HG13 ' A' ' 618' ' ' VAL . 58.1 t -53.34 124.16 5.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.515 0.773 . . . . 52.32 109.267 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 610' ' ' ILE . . . . . 0.832 HG23 ' CD1' ' A' ' 588' ' ' TYR . 1.0 OUTLIER -93.76 145.09 8.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 64.420000000000002 109.306 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -142.82 117.38 9.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 62.340000000000003 109.951 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 612' ' ' CYS . . . . . 0.445 ' O ' ' N ' ' A' ' 616' ' ' GLY . 26.6 t -44.74 119.79 2.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 75.439999999999998 108.314 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 613' ' ' ARG . . . . . 0.4 ' HB2' ' ND2' ' A' ' 589' ' ' ASN . 10.1 ttt180 -69.36 -28.65 66.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 71.219999999999999 110.245 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 614' ' ' ASN . . . . . 0.431 ' ND2' HG22 ' A' ' 561' ' ' VAL . 91.4 m-20 -64.28 -39.62 94.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 72.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 615' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -121.69 -75.95 0.59 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 64.319999999999993 108.284 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 616' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 149.44 -18.64 1.16 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.496 1.123 . . . . 51.210000000000001 111.039 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -42.81 105.72 0.05 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 0.759 . . . . 53.109999999999999 110.294 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 618' ' ' VAL . . . . . 0.433 HG13 ' CG1' ' A' ' 609' ' ' VAL . 88.7 t -55.34 112.06 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 63.420000000000002 109.319 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 619' ' ' TRP . . . . . 0.801 ' CE2' ' HE3' ' A' ' 638' ' ' MET . 36.7 m0 -70.14 -54.45 12.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 72.219999999999999 108.011 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 620' ' ' GLY . . . . . 0.409 ' O ' ' HA ' ' A' ' 609' ' ' VAL . . . -179.37 -101.16 0.15 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.486 1.116 . . . . 55.109999999999999 110.993 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 621' ' ' LEU . . . . . 0.827 ' C ' HD23 ' A' ' 621' ' ' LEU . 0.0 OUTLIER -160.82 157.18 26.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 0.772 . . . . 73.340000000000003 109.289 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 622' ' ' GLN . . . . . 0.554 ' HA ' HD11 ' A' ' 610' ' ' ILE . 0.8 OUTLIER -86.27 137.17 32.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 71.340000000000003 110.309 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 623' ' ' MET . . . . . 0.679 ' C ' HD12 ' A' ' 624' ' ' ILE . 5.2 mmt -117.67 153.55 33.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 73.420000000000002 110.961 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 624' ' ' ILE . . . . . 0.795 ' N ' HD12 ' A' ' 624' ' ' ILE . 2.3 mp -118.95 133.81 64.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.572 1.17 . . . . 73.230000000000004 109.304 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 625' ' ' TYR . . . . . 0.438 ' HB3' HD12 ' A' ' 630' ' ' LEU . 24.8 t80 -139.08 107.38 5.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.122 . . . . 60.020000000000003 111.026 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 626' ' ' LYS . . . . . 0.564 ' HG2' ' CZ ' ' A' ' 664' ' ' PHE . 0.1 OUTLIER 67.96 18.51 9.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 73.200000000000003 109.311 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 627' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.1 p 85.43 43.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.122 . . . . 71.540000000000006 110.023 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 628' ' ' VAL . . . . . 0.666 HG12 ' HG ' ' A' ' 630' ' ' LEU . 43.9 t -129.13 131.27 68.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 54.340000000000003 109.316 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 10.3 mmmt -77.9 100.03 6.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 73.230000000000004 109.302 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 630' ' ' LEU . . . . . 0.801 HD23 HG13 ' A' ' 580' ' ' VAL . 26.0 mt -120.46 112.54 34.16 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 75.420000000000002 109.262 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 631' ' ' PRO . . . . . 0.679 ' HB2' HD11 ' A' ' 633' ' ' LEU . 18.3 Cg_endo -74.99 138.23 22.79 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.544 1.813 . . . . 72.019999999999996 111.006 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 632' ' ' VAL . . . . . 0.731 ' C ' HD13 ' A' ' 633' ' ' LEU . 59.5 t -105.72 93.67 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 65.329999999999998 109.285 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 633' ' ' LEU . . . . . 0.815 ' N ' HD13 ' A' ' 633' ' ' LEU . 0.0 OUTLIER -98.5 171.94 7.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 74.409999999999997 109.282 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 2.4 pttt -110.92 -173.65 2.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.097 . . . . 45.32 109.281 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 635' ' ' VAL . . . . . 0.925 HG11 ' C ' ' A' ' 651' ' ' LYS . 8.9 p -103.01 -23.01 4.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 71.5 109.323 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 636' ' ' ARG . . . . . 0.894 ' O ' HD13 ' A' ' 557' ' ' ILE . 5.4 mtm180 -67.45 -39.01 85.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 73.400000000000006 110.313 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 88.8 p -89.55 -6.32 56.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 50.439999999999998 109.998 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 638' ' ' MET . . . . . 0.801 ' HE3' ' CE2' ' A' ' 619' ' ' TRP . 32.4 mmt -112.88 122.95 49.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.113 . . . . 72.120000000000005 111.014 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 639' ' ' LEU . . . . . 0.765 HD21 ' HD2' ' A' ' 646' ' ' ARG . 14.4 tp -98.2 138.07 36.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 75.510000000000005 109.365 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 640' ' ' LEU . . . . . 0.643 ' H ' HD12 ' A' ' 639' ' ' LEU . 1.9 mm? -99.76 116.92 32.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.138 . . . . 74.349999999999994 109.263 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . 0.461 ' CD ' HD21 ' A' ' 555' ' ' LEU . 7.4 mt-10 -89.37 129.7 35.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 74.540000000000006 110.302 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 642' ' ' THR . . . . . 0.666 HG21 HD12 ' A' ' 647' ' ' ILE . 0.2 OUTLIER -141.03 160.28 58.68 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 61.350000000000001 110.402 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 2.36 6.72 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.518 1.799 . . . . 75.420000000000002 111.033 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -109.48 -4.95 15.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 75.230000000000004 110.29 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 120.91 134.18 4.58 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.483 1.114 . . . . 50.409999999999997 110.972 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 646' ' ' ARG . . . . . 0.765 ' HD2' HD21 ' A' ' 639' ' ' LEU . 23.9 mtm-85 -46.36 148.26 0.97 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 0.778 . . . . 64.439999999999998 110.336 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 647' ' ' ILE . . . . . 0.666 HD12 HG21 ' A' ' 642' ' ' THR . 18.2 mt -133.6 121.54 41.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 75.319999999999993 109.299 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 648' ' ' GLN . . . . . 0.431 ' OE1' ' N ' ' A' ' 649' ' ' ALA . 0.3 OUTLIER -122.0 108.9 13.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 75.230000000000004 110.319 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 649' ' ' ALA . . . . . 0.431 ' N ' ' OE1' ' A' ' 648' ' ' GLN . . . -106.35 -174.49 2.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 32.420000000000002 109.314 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 51.5 mttt -115.14 -9.79 12.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 75.209999999999994 109.283 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 651' ' ' LYS . . . . . 0.925 ' C ' HG11 ' A' ' 635' ' ' VAL . 2.6 mmmp? -142.43 160.57 40.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 64.239999999999995 109.334 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 652' ' ' TRP . . . . . 0.738 ' HA ' HG23 ' A' ' 655' ' ' VAL . 22.2 m95 -80.23 -5.38 56.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 74.540000000000006 107.955 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 2.2 t -68.05 -13.75 62.44 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.472 1.107 . . . . 75.340000000000003 110.011 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 654' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 655' ' ' VAL . 9.0 mmt180 -109.55 -16.49 13.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 74.340000000000003 110.32 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 655' ' ' VAL . . . . . 0.803 HG13 ' CD1' ' A' ' 657' ' ' PHE . 2.5 t -40.19 126.93 1.7 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 70.219999999999999 109.308 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 656' ' ' PRO . . . . . 0.523 ' HB2' ' CG ' ' A' ' 547' ' ' PHE . 18.2 Cg_endo -75.01 -49.6 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.445 1.761 . . . . 74.519999999999996 110.926 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 657' ' ' PHE . . . . . 0.803 ' CD1' HG13 ' A' ' 655' ' ' VAL . 40.4 p90 -67.84 173.16 4.62 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.468 1.105 . . . . 74.109999999999999 111.005 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 658' ' ' SER . . . . . 0.543 ' O ' HG11 ' A' ' 549' ' ' VAL . 0.7 OUTLIER -121.26 149.98 42.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 74.25 110.008 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 659' ' ' VAL . . . . . 0.664 HG23 ' HA ' ' A' ' 570' ' ' ARG . 0.2 OUTLIER -150.36 106.52 3.14 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 51.420000000000002 109.319 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 660' ' ' PRO . . . . . 0.411 ' O ' ' N ' ' A' ' 571' ' ' LYS . 18.3 Cg_endo -75.04 177.69 8.27 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.519 1.8 . . . . 71.25 111.029 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -58.58 161.01 4.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 64.129999999999995 109.264 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 662' ' ' PHE . . . . . 0.593 ' CZ ' ' CG ' ' A' ' 667' ' ' HIS . 34.8 t80 -78.5 121.76 25.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 73.349999999999994 110.987 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 663' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -79.19 107.03 11.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 72.540000000000006 109.29 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 664' ' ' PHE . . . . . 0.564 ' CZ ' ' HG2' ' A' ' 626' ' ' LYS . 13.3 t80 -74.54 -22.73 58.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 72.540000000000006 110.987 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 21.9 mt -76.18 -47.46 24.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 70.400000000000006 109.334 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 12.2 tp60 -70.24 -56.96 5.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 44.420000000000002 110.309 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 667' ' ' HIS . . . . . 0.781 ' CE1' HG11 ' A' ' 580' ' ' VAL . 5.0 t60 -50.47 -48.06 56.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 73.409999999999997 109.606 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 668' ' ' CYS . . . . . 0.46 ' CB ' ' O ' ' A' ' 664' ' ' PHE . 52.4 t -63.24 -28.25 69.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 45.039999999999999 108.283 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -81.71 -11.57 58.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 62.200000000000003 109.323 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 670' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -115.76 -2.15 12.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 75.140000000000001 110.283 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 671' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 667' ' ' HIS . 1.1 m-80 -102.96 -52.37 3.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 71.349999999999994 109.274 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 672' ' ' LEU . . . . . 0.661 ' N ' HD23 ' A' ' 672' ' ' LEU . 0.8 OUTLIER -82.78 -172.45 4.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 75.530000000000001 109.311 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 1.7 m -132.94 39.03 3.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 63.119999999999997 110.004 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -61.7 -19.83 62.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 44.539999999999999 109.306 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 675' ' ' LEU . . . . . 0.679 ' H ' HD22 ' A' ' 675' ' ' LEU . 0.3 OUTLIER -71.23 -62.21 1.49 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 74.120000000000005 109.345 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 676' ' ' SER . . . . . 0.716 ' C ' HD13 ' A' ' 677' ' ' LEU . 1.5 m -169.17 174.46 6.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 61.439999999999998 110.042 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 677' ' ' LEU . . . . . 0.716 HD13 ' C ' ' A' ' 676' ' ' SER . 0.1 OUTLIER -115.53 -58.65 2.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 51.219999999999999 109.308 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 22.4 t70 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 72.319999999999993 109.292 -179.978 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 679' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 N-CA-C 111.019 -0.832 . . . . 71.310000000000002 111.019 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 143.87 29.63 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.443 1.76 . . . . 72.040000000000006 110.992 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 41.0 m-70 -126.67 16.97 7.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 74.219999999999999 109.631 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 545' ' ' MET . . . . . . . . . . . . . 37.5 mtp 51.01 37.76 18.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 72.099999999999994 111.0 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 546' ' ' GLN . . . . . 0.593 ' C ' ' CD1' ' A' ' 547' ' ' PHE . 21.3 mt-30 -118.23 159.29 23.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 75.129999999999995 110.339 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 547' ' ' PHE . . . . . 0.593 ' CD1' ' C ' ' A' ' 546' ' ' GLN . 0.2 OUTLIER -156.45 96.31 2.24 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 55.350000000000001 111.028 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 548' ' ' PRO . . . . . 0.494 ' HG2' ' CG ' ' A' ' 551' ' ' HIS . 18.5 Cg_endo -74.93 141.47 26.91 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.554 1.818 . . . . 63.210000000000001 111.06 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 549' ' ' VAL . . . . . 0.586 HG12 ' HB2' ' A' ' 657' ' ' PHE . 20.3 m -52.6 -45.8 48.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 73.150000000000006 109.281 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -55.0 -24.63 25.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 71.040000000000006 110.286 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 551' ' ' HIS . . . . . 0.494 ' CG ' ' HG2' ' A' ' 548' ' ' PRO . 23.5 m170 -96.68 -22.79 16.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 73.030000000000001 109.62 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 552' ' ' VAL . . . . . 0.801 HG11 ' CD2' ' A' ' 657' ' ' PHE . 83.4 t -89.09 109.38 20.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 53.240000000000002 109.32 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 553' ' ' GLN . . . . . 0.778 ' HB3' HD11 ' A' ' 555' ' ' LEU . 9.2 tt0 -97.04 169.88 9.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 72.219999999999999 110.281 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 554' ' ' LEU . . . . . 1.079 HD11 HD23 ' A' ' 569' ' ' LEU . 3.5 mt -110.73 106.8 16.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 65.120000000000005 109.3 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 555' ' ' LEU . . . . . 0.852 HD12 ' N ' ' A' ' 555' ' ' LEU . 0.0 OUTLIER -123.64 170.9 9.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 75.409999999999997 109.33 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 556' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' ' 559' ' ' CYS . 18.1 t -97.78 106.13 18.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.01 -0.995 . . . . 72.409999999999997 110.87 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 557' ' ' ILE . . . . . 0.975 HD13 ' O ' ' A' ' 636' ' ' ARG . 1.3 pt -37.03 -33.24 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 72.319999999999993 109.331 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 558' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 556' ' ' CYS . 7.5 m-20 -83.69 -49.05 9.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 72.239999999999995 109.314 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 559' ' ' CYS . . . . . 0.719 ' O ' HG13 ' A' ' 561' ' ' VAL . 3.8 m -123.15 70.52 1.03 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 72.420000000000002 108.285 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 560' ' ' MET . . . . . 0.617 ' HG2' HD23 ' A' ' 639' ' ' LEU . 6.4 mtm -61.66 72.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 64.329999999999998 110.97 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 561' ' ' VAL . . . . . 0.719 HG13 ' O ' ' A' ' 559' ' ' CYS . 1.0 OUTLIER -110.88 -8.67 11.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 64.219999999999999 109.294 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 562' ' ' ALA . . . . . 0.65 ' HB3' ' O ' ' A' ' 561' ' ' VAL . . . 81.85 107.46 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 45.310000000000002 109.302 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 563' ' ' VAL . . . . . 0.518 ' HA ' ' CD2' ' A' ' 587' ' ' TYR . 0.5 OUTLIER -106.13 -8.77 10.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 74.540000000000006 109.258 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -172.11 -149.79 6.87 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.462 1.101 . . . . 62.140000000000001 110.981 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 565' ' ' HIS . . . . . . . . . . . . . 20.6 m80 -143.94 146.23 32.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 0.751 . . . . 63.009999999999998 109.606 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 566' ' ' GLY . . . . . 0.498 ' O ' ' CD1' ' A' ' 569' ' ' LEU . . . -66.46 -24.39 72.32 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.462 1.101 . . . . 41.200000000000003 110.998 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 2.6 p -98.06 7.93 45.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 0.769 . . . . 64.109999999999999 109.993 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -111.79 -17.46 12.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 75.299999999999997 109.289 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 569' ' ' LEU . . . . . 1.079 HD23 HD11 ' A' ' 554' ' ' LEU . 0.1 OUTLIER -87.9 170.05 11.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 74.409999999999997 109.297 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 570' ' ' ARG . . . . . 0.473 ' CD ' ' HA ' ' A' ' 662' ' ' PHE . 41.9 mtt180 -154.78 173.37 16.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 74.430000000000007 110.267 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 571' ' ' LYS . . . . . 0.483 ' HD3' ' CE1' ' A' ' 577' ' ' HIS . 31.9 mtmt -110.75 122.3 47.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 73.430000000000007 109.277 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 572' ' ' VAL . . . . . 1.041 HG23 HG21 ' A' ' 578' ' ' VAL . 2.8 t -77.85 117.08 22.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 74.319999999999993 109.295 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 573' ' ' GLU . . . . . 0.626 ' HG2' HG12 ' A' ' 572' ' ' VAL . 9.6 pt-20 43.91 35.4 1.11 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 52.310000000000002 110.287 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 47.39 47.16 22.48 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.497 1.123 . . . . 44.539999999999999 111.001 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 575' ' ' THR . . . . . . . . . . . . . 1.3 m -113.51 -58.69 2.12 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.486 0.756 . . . . 72.540000000000006 110.385 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 13.8 m170 -138.54 149.14 45.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 63.200000000000003 109.617 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 577' ' ' HIS . . . . . 0.648 ' CG ' ' CE3' ' A' ' 652' ' ' TRP . 17.5 m-70 -73.98 106.87 5.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 72.120000000000005 109.617 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 578' ' ' VAL . . . . . 1.041 HG21 HG23 ' A' ' 572' ' ' VAL . 19.0 m -110.31 120.71 61.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 75.120000000000005 109.295 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 579' ' ' ASN . . . . . 0.476 ' HA ' ' CB ' ' A' ' 569' ' ' LEU . 2.5 t-20 -92.04 120.34 32.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 45.539999999999999 109.316 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 580' ' ' VAL . . . . . 0.675 HG22 HD22 ' A' ' 630' ' ' LEU . 2.7 t -90.77 138.86 18.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 73.129999999999995 109.276 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 581' ' ' ASN . . . . . 0.462 HD21 ' ND2' ' A' ' 583' ' ' ASN . 23.1 t-20 173.58 130.43 0.11 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 72.019999999999996 109.273 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 582' ' ' PRO . . . . . 0.424 ' HD2' ' ND2' ' A' ' 581' ' ' ASN . 18.3 Cg_endo -74.98 -27.54 9.97 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.52 1.8 . . . . 73.109999999999999 111.023 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 583' ' ' ASN . . . . . 0.593 ' O ' ' CD1' ' A' ' 587' ' ' TYR . 0.3 OUTLIER -78.55 -0.16 28.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 61.43 109.256 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 584' ' ' PHE . . . . . 0.535 ' O ' ' CD2' ' A' ' 588' ' ' TYR . 2.2 t80 -78.47 -29.23 46.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 71.319999999999993 110.962 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 86.4 p -61.97 -32.92 73.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 61.049999999999997 109.99 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -87.45 -8.84 56.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 73.540000000000006 109.279 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 587' ' ' TYR . . . . . 0.593 ' CD1' ' O ' ' A' ' 583' ' ' ASN . 8.8 m-30 -93.57 -11.53 31.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 63.530000000000001 111.037 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 588' ' ' TYR . . . . . 0.934 ' CD1' HG23 ' A' ' 610' ' ' ILE . 1.2 p90 -150.59 160.15 44.0 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 72.310000000000002 110.965 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 589' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -129.83 130.97 45.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.132 . . . . 74.219999999999999 109.293 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 590' ' ' VAL . . . . . 0.569 HG23 ' HE1' ' A' ' 588' ' ' TYR . 24.8 t -72.2 132.1 33.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 75.040000000000006 109.315 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 3.8 m -50.15 154.77 1.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 73.120000000000005 109.979 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 23.8 ttm180 -46.46 -46.57 18.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 74.409999999999997 110.331 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.63 152.27 81.8 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.108 . . . . 73.439999999999998 109.331 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -86.99 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.486 1.782 . . . . 74.409999999999997 111.029 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 595' ' ' VAL . . . . . 0.852 HG22 ' O ' ' A' ' 607' ' ' GLY . 83.6 t -113.98 124.56 70.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 53.030000000000001 109.323 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 596' ' ' VAL . . . . . . . . . . . . . 2.1 t -125.3 82.55 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.528 1.143 . . . . 65.209999999999994 109.278 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 597' ' ' ILE . . . . . 0.547 HD11 ' HG ' ' A' ' 621' ' ' LEU . 2.2 mm -134.3 -44.7 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 70.310000000000002 109.267 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 598' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 70.42 24.72 4.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 60.350000000000001 109.3 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 4.4 tmtt? -155.24 129.32 8.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 72.329999999999998 109.312 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 600' ' ' VAL . . . . . 0.444 HG12 ' N ' ' A' ' 601' ' ' PHE . 48.0 t -95.94 162.92 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 64.519999999999996 109.31 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 601' ' ' PHE . . . . . 0.444 ' N ' HG12 ' A' ' 600' ' ' VAL . 91.7 m-85 -143.49 135.62 26.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 75.109999999999999 111.034 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 602' ' ' LYS . . . . . 0.407 ' HD3' ' N ' ' A' ' 602' ' ' LYS . 0.0 OUTLIER -92.27 36.75 0.99 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 72.340000000000003 109.305 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -138.49 -46.36 0.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 71.219999999999999 109.269 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 604' ' ' TRP . . . . . 1.032 ' CE3' HG11 ' A' ' 572' ' ' VAL . 0.2 OUTLIER -157.27 131.51 8.39 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.026 -1.101 . . . . 74.510000000000005 108.026 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 605' ' ' LYS . . . . . . . . . . . . . 9.0 ptpt -86.1 153.79 57.24 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.095 . . . . 64.430000000000007 109.257 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 606' ' ' PRO . . . . . 0.547 ' HG2' HG11 ' A' ' 595' ' ' VAL . 18.3 Cg_endo -74.98 -162.41 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.466 1.772 . . . . 71.439999999999998 111.023 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 607' ' ' GLY . . . . . 0.852 ' O ' HG22 ' A' ' 595' ' ' VAL . . . -154.05 -99.28 0.17 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.502 1.126 . . . . 53.119999999999997 110.956 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 608' ' ' GLY . . . . . 0.475 ' HA3' HG13 ' A' ' 590' ' ' VAL . . . -149.78 143.41 10.74 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.968 -0.853 . . . . 65.219999999999999 110.968 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 41.1 t -51.84 125.34 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 0.78 . . . . 61.119999999999997 109.286 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 610' ' ' ILE . . . . . 0.934 HG23 ' CD1' ' A' ' 588' ' ' TYR . 0.6 OUTLIER -92.78 148.05 4.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 73.109999999999999 109.289 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.52 130.67 30.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 65.120000000000005 109.995 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 612' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 616' ' ' GLY . 46.3 t -59.15 109.19 0.8 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.556 1.16 . . . . 74.400000000000006 108.342 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 14.4 ttt-85 -69.76 -29.58 66.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 75.430000000000007 110.331 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 614' ' ' ASN . . . . . 0.487 ' ND2' HG22 ' A' ' 561' ' ' VAL . 77.1 m-20 -62.8 -35.55 80.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 73.120000000000005 109.286 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 615' ' ' CYS . . . . . . . . . . . . . 39.2 m -132.6 -74.77 0.5 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 74.400000000000006 108.304 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 616' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 160.71 -24.99 0.27 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.525 1.141 . . . . 73.129999999999995 111.026 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -42.23 105.55 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 0.758 . . . . 60.240000000000002 110.264 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 618' ' ' VAL . . . . . 0.424 HG13 ' O ' ' A' ' 610' ' ' ILE . 49.3 t -57.43 132.64 21.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 63.350000000000001 109.291 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 619' ' ' TRP . . . . . 0.438 ' O ' ' CD ' ' A' ' 634' ' ' LYS . 38.5 m0 -91.84 -41.5 10.6 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.036 -1.098 . . . . 73.310000000000002 108.036 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 620' ' ' GLY . . . . . . . . . . . . . . . 163.16 -114.64 0.61 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.487 1.117 . . . . 71.439999999999998 111.008 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 621' ' ' LEU . . . . . 0.737 HD22 ' C ' ' A' ' 621' ' ' LEU . 0.0 OUTLIER -149.39 154.66 39.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 0.782 . . . . 63.409999999999997 109.358 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 622' ' ' GLN . . . . . 0.553 ' N ' HD22 ' A' ' 621' ' ' LEU . 0.0 OUTLIER -82.26 135.89 35.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 71.319999999999993 110.312 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 623' ' ' MET . . . . . 0.61 ' SD ' ' CZ2' ' A' ' 604' ' ' TRP . 10.0 mtp -123.89 136.91 54.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 73.200000000000003 111.003 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 624' ' ' ILE . . . . . 0.515 HG13 ' HZ3' ' A' ' 629' ' ' LYS . 4.9 mp -103.42 154.75 5.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 75.439999999999998 109.29 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 625' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -159.63 122.19 3.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 72.0 110.985 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 626' ' ' LYS . . . . . 0.572 ' HG2' ' CZ ' ' A' ' 664' ' ' PHE . 0.0 OUTLIER 57.14 18.12 3.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.127 . . . . 65.030000000000001 109.301 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 627' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.2 p 85.12 37.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 73.209999999999994 109.97 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 628' ' ' VAL . . . . . 0.805 HG12 ' HG ' ' A' ' 630' ' ' LEU . 54.6 t -124.68 135.03 65.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 74.109999999999999 109.266 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 629' ' ' LYS . . . . . 0.515 ' HZ3' HG13 ' A' ' 624' ' ' ILE . 0.0 OUTLIER -83.98 100.76 11.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 71.109999999999999 109.284 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 630' ' ' LEU . . . . . 0.805 ' HG ' HG12 ' A' ' 628' ' ' VAL . 10.5 mt -125.44 111.41 25.89 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.429 1.081 . . . . 74.230000000000004 109.322 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 631' ' ' PRO . . . . . 0.673 ' O ' HG12 ' A' ' 578' ' ' VAL . 18.4 Cg_endo -74.99 163.19 35.85 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.493 1.786 . . . . 75.209999999999994 111.012 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 632' ' ' VAL . . . . . 0.65 ' C ' HD13 ' A' ' 633' ' ' LEU . 25.3 t -125.08 91.61 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 74.109999999999999 109.311 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 633' ' ' LEU . . . . . 0.805 ' N ' HD13 ' A' ' 633' ' ' LEU . 0.0 OUTLIER -94.37 171.26 8.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 60.140000000000001 109.295 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 634' ' ' LYS . . . . . 0.438 ' CD ' ' O ' ' A' ' 619' ' ' TRP . 2.8 mtpt -100.7 -175.3 2.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 73.120000000000005 109.299 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 635' ' ' VAL . . . . . 0.646 HG11 ' C ' ' A' ' 651' ' ' LYS . 2.2 p -102.63 -24.57 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 50.399999999999999 109.345 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 636' ' ' ARG . . . . . 0.975 ' O ' HD13 ' A' ' 557' ' ' ILE . 0.1 OUTLIER -83.13 -14.31 53.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 73.400000000000006 110.305 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 2.0 m -98.3 -12.21 21.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 62.439999999999998 110.036 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 638' ' ' MET . . . . . 0.43 ' HA ' ' O ' ' A' ' 555' ' ' LEU . 32.6 mmt -115.3 126.71 54.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 71.140000000000001 111.003 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 639' ' ' LEU . . . . . 0.823 HD21 ' HD2' ' A' ' 646' ' ' ARG . 14.7 tp -96.9 133.32 41.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 71.019999999999996 109.278 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 640' ' ' LEU . . . . . 0.521 ' N ' HD12 ' A' ' 639' ' ' LEU . 0.5 OUTLIER -95.86 107.05 19.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 75.319999999999993 109.276 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -75.19 131.94 40.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 63.009999999999998 110.31 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 642' ' ' THR . . . . . 0.913 HG21 HD12 ' A' ' 647' ' ' ILE . 7.7 p -139.9 158.81 66.77 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 54.340000000000003 110.406 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -18.4 18.88 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.524 1.802 . . . . 74.409999999999997 110.986 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 644' ' ' GLN . . . . . 0.401 ' NE2' ' CE2' ' A' ' 547' ' ' PHE . 5.1 mt-30 -91.21 -5.56 54.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 33.530000000000001 110.325 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 124.27 129.21 3.39 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.445 1.091 . . . . 31.140000000000001 111.007 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 646' ' ' ARG . . . . . 0.823 ' HD2' HD21 ' A' ' 639' ' ' LEU . 19.1 mtm180 -39.06 156.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 0.783 . . . . 74.209999999999994 110.341 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 647' ' ' ILE . . . . . 0.913 HD12 HG21 ' A' ' 642' ' ' THR . 24.5 mt -138.54 123.54 22.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.143 . . . . 53.140000000000001 109.282 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 648' ' ' GLN . . . . . 0.454 ' NE2' ' HA ' ' A' ' 636' ' ' ARG . 1.1 tm0? -124.04 109.19 13.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 72.140000000000001 110.282 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 649' ' ' ALA . . . . . . . . . . . . . . . -110.88 177.9 4.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 61.240000000000002 109.356 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 650' ' ' LYS . . . . . 0.501 ' C ' ' CG1' ' A' ' 635' ' ' VAL . 8.5 mmtp -111.88 -16.95 13.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 62.450000000000003 109.321 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 651' ' ' LYS . . . . . 0.646 ' C ' HG11 ' A' ' 635' ' ' VAL . 20.6 mmmt -126.24 143.57 51.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 64.430000000000007 109.28 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 652' ' ' TRP . . . . . 0.648 ' CE3' ' CG ' ' A' ' 577' ' ' HIS . 65.1 m95 -67.2 -11.98 58.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 65.540000000000006 108.024 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 3.6 m -66.71 -10.09 43.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 71.129999999999995 109.995 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 654' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 655' ' ' VAL . 14.3 mmt180 -101.07 -27.98 12.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 60.43 110.327 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 655' ' ' VAL . . . . . 0.797 HG13 ' CD2' ' A' ' 657' ' ' PHE . 2.3 t -40.21 117.76 1.36 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 61.009999999999998 109.279 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 656' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -40.52 0.87 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.502 1.79 . . . . 73.439999999999998 110.974 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 657' ' ' PHE . . . . . 1.035 ' CE1' HG22 ' A' ' 659' ' ' VAL . 26.4 p90 -70.48 150.95 45.64 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.103 . . . . 71.319999999999993 110.984 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -80.02 140.43 36.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 54.310000000000002 109.961 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 659' ' ' VAL . . . . . 1.035 HG22 ' CE1' ' A' ' 657' ' ' PHE . 2.0 t -121.66 95.67 47.84 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 75.019999999999996 109.262 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 660' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 148.65 35.52 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.463 1.77 . . . . 72.530000000000001 110.95 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 661' ' ' ASP . . . . . 0.418 ' HA ' ' O ' ' A' ' 571' ' ' LYS . 0.7 OUTLIER -65.11 143.85 57.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 53.020000000000003 109.299 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 662' ' ' PHE . . . . . 0.642 ' CE1' HD21 ' A' ' 630' ' ' LEU . 73.0 t80 -45.45 110.35 0.24 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 74.219999999999999 110.989 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 663' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -74.69 89.93 2.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 72.209999999999994 109.323 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 664' ' ' PHE . . . . . 0.572 ' CZ ' ' HG2' ' A' ' 626' ' ' LYS . 12.5 t80 -62.66 -27.3 69.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 75.319999999999993 110.988 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 665' ' ' LEU . . . . . 0.41 ' O ' ' HB2' ' A' ' 669' ' ' ALA . 14.4 mt -66.42 -45.37 80.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.108 . . . . 64.219999999999999 109.331 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 666' ' ' GLN . . . . . 0.414 ' O ' ' N ' ' A' ' 669' ' ' ALA . 25.2 tp60 -71.41 -56.87 5.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 62.32 110.317 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 667' ' ' HIS . . . . . 0.47 ' O ' ' ND2' ' A' ' 671' ' ' ASN . 3.3 t60 -47.97 -53.94 14.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 74.430000000000007 109.588 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 668' ' ' CYS . . . . . 0.402 ' O ' ' OD1' ' A' ' 671' ' ' ASN . 5.3 t -61.79 -26.74 68.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 72.239999999999995 108.332 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 669' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 666' ' ' GLN . . . -83.24 -11.4 57.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 51.329999999999998 109.292 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 670' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 666' ' ' GLN . 7.6 mt-10 -88.17 -17.21 31.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 74.140000000000001 110.276 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 671' ' ' ASN . . . . . 0.47 ' ND2' ' O ' ' A' ' 667' ' ' HIS . 0.7 OUTLIER -112.2 -35.95 5.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.522 1.139 . . . . 71.409999999999997 109.308 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 3.3 mt -83.37 -55.78 4.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 42.329999999999998 109.321 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 3.7 m 64.24 18.2 11.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 64.430000000000007 109.984 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -58.1 -25.75 61.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 61.299999999999997 109.297 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 675' ' ' LEU . . . . . 0.813 HD23 ' N ' ' A' ' 675' ' ' LEU . 0.8 OUTLIER -59.43 -66.67 0.47 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 75.239999999999995 109.321 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 676' ' ' SER . . . . . . . . . . . . . 11.6 m -170.22 148.46 3.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 65.219999999999999 109.983 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 677' ' ' LEU . . . . . 0.621 HD12 ' N ' ' A' ' 677' ' ' LEU . 1.6 mp -88.1 -43.99 11.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 54.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 19.0 t70 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 72.430000000000007 109.27 179.997 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 679' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.979 -0.848 . . . . 20.109999999999999 110.979 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 543' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 171.72 17.78 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.488 1.783 . . . . 73.099999999999994 111.005 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -82.86 159.09 22.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 73.340000000000003 109.623 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 545' ' ' MET . . . . . . . . . . . . . 22.6 mtp -90.51 67.14 6.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 61.420000000000002 110.987 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 546' ' ' GLN . . . . . 0.583 ' C ' ' CD1' ' A' ' 547' ' ' PHE . 8.7 mt-30 -110.32 169.89 8.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 64.510000000000005 110.332 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 547' ' ' PHE . . . . . 0.583 ' CD1' ' C ' ' A' ' 546' ' ' GLN . 69.2 m-85 -160.15 94.83 1.58 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 65.209999999999994 110.982 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 548' ' ' PRO . . . . . 0.452 ' HB2' ' CG ' ' A' ' 550' ' ' GLU . 18.1 Cg_endo -75.04 134.89 18.3 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.452 1.764 . . . . 63.240000000000002 110.98 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 549' ' ' VAL . . . . . 0.503 HG12 ' HB2' ' A' ' 657' ' ' PHE . 18.3 m -48.01 -42.04 10.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 43.450000000000003 109.284 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 550' ' ' GLU . . . . . 0.452 ' CG ' ' HB2' ' A' ' 548' ' ' PRO . 3.3 pt-20 -54.71 -35.57 63.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.087 . . . . 75.010000000000005 110.308 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 17.6 m170 -81.82 -17.6 46.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 72.200000000000003 109.578 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 552' ' ' VAL . . . . . 0.764 HG21 ' HB3' ' A' ' 657' ' ' PHE . 85.9 t -96.19 130.47 44.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 44.210000000000001 109.298 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -118.67 139.59 51.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 61.299999999999997 110.328 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 554' ' ' LEU . . . . . 1.08 HD11 HD23 ' A' ' 569' ' ' LEU . 2.3 mt -81.83 114.73 20.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 64.430000000000007 109.252 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 555' ' ' LEU . . . . . 0.567 HD23 ' HB2' ' A' ' 562' ' ' ALA . 0.2 OUTLIER -133.93 179.77 6.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 73.140000000000001 109.29 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 556' ' ' CYS . . . . . 0.543 ' O ' ' N ' ' A' ' 560' ' ' MET . 4.4 t -106.42 101.98 11.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 114.982 -1.008 . . . . 71.239999999999995 110.928 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 557' ' ' ILE . . . . . 0.59 HD13 ' O ' ' A' ' 636' ' ' ARG . 1.2 pt -34.15 -35.15 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 70.420000000000002 109.296 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 558' ' ' ASN . . . . . 0.511 ' N ' ' O ' ' A' ' 556' ' ' CYS . 3.0 m-20 -74.42 -63.42 1.24 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 71.140000000000001 109.311 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 559' ' ' CYS . . . . . 0.466 ' O ' ' HB2' ' A' ' 560' ' ' MET . 2.1 m -76.26 -68.06 0.62 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 64.5 108.276 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 560' ' ' MET . . . . . 0.543 ' N ' ' O ' ' A' ' 556' ' ' CYS . 24.7 mtm 77.11 44.48 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 72.25 110.973 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 561' ' ' VAL . . . . . 0.694 ' O ' ' HB3' ' A' ' 562' ' ' ALA . 1.0 OUTLIER -109.56 -0.14 9.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 71.340000000000003 109.322 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 562' ' ' ALA . . . . . 0.694 ' HB3' ' O ' ' A' ' 561' ' ' VAL . . . 83.62 106.72 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 70.099999999999994 109.335 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 563' ' ' VAL . . . . . 0.607 HG12 ' CD1' ' A' ' 587' ' ' TYR . 0.9 OUTLIER -104.48 -8.55 9.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 73.140000000000001 109.289 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -178.05 -163.04 28.99 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.474 1.109 . . . . 21.129999999999999 111.006 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 565' ' ' HIS . . . . . . . . . . . . . 45.0 m80 -121.76 140.84 51.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 0.749 . . . . 61.109999999999999 109.558 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . -70.81 -4.65 54.94 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.515 1.134 . . . . 74.129999999999995 111.03 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 567' ' ' SER . . . . . 0.419 ' CB ' HG23 ' A' ' 549' ' ' VAL . 42.9 p -115.92 10.79 15.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 0.771 . . . . 71.030000000000001 109.959 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -114.22 -11.95 12.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 64.129999999999995 109.324 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 569' ' ' LEU . . . . . 1.08 HD23 HD11 ' A' ' 554' ' ' LEU . 0.2 OUTLIER -87.6 158.14 18.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 61.450000000000003 109.262 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 570' ' ' ARG . . . . . 0.462 ' O ' ' CG2' ' A' ' 578' ' ' VAL . 6.3 mtp180 -156.8 137.12 12.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 74.319999999999993 110.333 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 571' ' ' LYS . . . . . 0.507 ' HE2' ' CE1' ' A' ' 577' ' ' HIS . 11.3 ptpt -78.11 158.78 28.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 63.020000000000003 109.312 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 572' ' ' VAL . . . . . 0.804 HG12 ' HG2' ' A' ' 573' ' ' GLU . 3.0 t -97.48 132.55 41.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 71.040000000000006 109.305 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 573' ' ' GLU . . . . . 0.804 ' HG2' HG12 ' A' ' 572' ' ' VAL . 16.2 pt-20 37.63 43.83 0.48 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 75.310000000000002 110.301 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 574' ' ' GLY . . . . . 0.478 ' HA2' ' CD ' ' A' ' 571' ' ' LYS . . . 42.3 54.03 4.76 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.492 1.12 . . . . 62.539999999999999 111.007 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 575' ' ' THR . . . . . 0.529 HG22 ' N ' ' A' ' 576' ' ' HIS . 1.1 m -133.75 -78.68 0.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 0.749 . . . . 74.25 110.421 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 576' ' ' HIS . . . . . 0.529 ' N ' HG22 ' A' ' 575' ' ' THR . 0.2 OUTLIER -101.02 151.69 21.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 54.240000000000002 109.581 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 577' ' ' HIS . . . . . 0.745 ' CD2' ' CG ' ' A' ' 652' ' ' TRP . 57.3 m-70 -89.39 130.23 35.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 73.019999999999996 109.606 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 578' ' ' VAL . . . . . 0.751 HG21 HG23 ' A' ' 572' ' ' VAL . 19.5 m -137.91 112.16 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 75.140000000000001 109.291 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 579' ' ' ASN . . . . . 0.494 ' OD1' ' CE1' ' A' ' 584' ' ' PHE . 1.7 t-20 -80.7 110.2 15.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 74.549999999999997 109.272 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 580' ' ' VAL . . . . . 0.927 HG22 HD22 ' A' ' 630' ' ' LEU . 2.4 t -85.7 138.25 19.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 54.450000000000003 109.299 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 581' ' ' ASN . . . . . 0.472 ' CB ' ' HB2' ' A' ' 584' ' ' PHE . 20.7 m-20 178.82 130.34 0.22 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 75.109999999999999 109.336 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 582' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -35.0 3.36 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.45 1.763 . . . . 74.040000000000006 110.988 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 583' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -78.54 -1.68 35.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 72.340000000000003 109.351 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 584' ' ' PHE . . . . . 0.58 ' O ' ' CD2' ' A' ' 588' ' ' TYR . 2.1 t80 -71.47 -31.87 67.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 72.310000000000002 111.045 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 585' ' ' SER . . . . . 0.513 ' HA ' ' CE2' ' A' ' 588' ' ' TYR . 13.2 t -59.12 -23.8 62.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 75.109999999999999 109.99 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 586' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -87.35 -15.76 37.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.153 . . . . 73.209999999999994 109.296 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 587' ' ' TYR . . . . . 0.607 ' CD1' HG12 ' A' ' 563' ' ' VAL . 5.0 m-85 -94.32 4.14 54.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 71.319999999999993 111.0 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 588' ' ' TYR . . . . . 0.662 ' HE1' HG23 ' A' ' 590' ' ' VAL . 2.5 p90 -163.75 164.91 23.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 74.409999999999997 111.003 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 589' ' ' ASN . . . . . 0.433 ' ND2' ' C ' ' A' ' 588' ' ' TYR . 0.4 OUTLIER -133.13 119.04 19.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 74.430000000000007 109.264 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 590' ' ' VAL . . . . . 0.662 HG23 ' HE1' ' A' ' 588' ' ' TYR . 8.9 t -72.67 153.86 7.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 74.340000000000003 109.294 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 591' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 592' ' ' ARG . 99.1 p -66.45 143.95 56.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 75.519999999999996 110.022 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 592' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 591' ' ' SER . 0.8 OUTLIER -36.93 -81.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 75.120000000000005 110.285 -179.923 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 593' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 592' ' ' ARG . 3.0 m-20 -39.77 150.57 0.25 Allowed Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 72.530000000000001 109.296 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -89.56 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.499 1.789 . . . . 75.340000000000003 110.981 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 595' ' ' VAL . . . . . 0.596 HG22 ' O ' ' A' ' 606' ' ' PRO . 72.2 t -103.87 128.87 56.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 74.450000000000003 109.273 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 596' ' ' VAL . . . . . . . . . . . . . 2.2 t -136.81 80.39 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 74.530000000000001 109.238 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 597' ' ' ILE . . . . . 0.582 HD12 ' HB3' ' A' ' 606' ' ' PRO . 4.2 mt -142.84 152.44 17.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 64.019999999999996 109.276 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 598' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -67.78 -57.47 6.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 73.349999999999994 109.278 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 599' ' ' LYS . . . . . 0.553 ' O ' HG22 ' A' ' 597' ' ' ILE . 0.0 OUTLIER -103.11 -176.14 3.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.115 . . . . 71.109999999999999 109.298 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 600' ' ' VAL . . . . . 0.403 ' N ' ' HG2' ' A' ' 599' ' ' LYS . 78.9 t -139.44 155.32 25.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 70.299999999999997 109.309 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 601' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -102.22 168.13 9.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 71.409999999999997 111.042 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 602' ' ' LYS . . . . . 0.43 ' C ' ' N ' ' A' ' 604' ' ' TRP . 0.1 OUTLIER -107.07 -61.39 1.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 55.130000000000003 109.292 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -43.15 -27.87 0.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 53.340000000000003 109.278 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 604' ' ' TRP . . . . . 0.608 ' CZ2' ' SD ' ' A' ' 623' ' ' MET . 0.3 OUTLIER -157.53 179.57 9.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 72.549999999999997 107.956 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 605' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.06 154.67 58.22 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 72.420000000000002 109.314 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 606' ' ' PRO . . . . . 0.596 ' O ' HG22 ' A' ' 595' ' ' VAL . 18.3 Cg_endo -74.95 137.91 22.47 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.515 1.797 . . . . 74.439999999999998 110.969 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 607' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 622' ' ' GLN . . . -102.57 -123.07 5.19 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.517 1.136 . . . . 45.409999999999997 111.005 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 608' ' ' GLY . . . . . 0.402 ' O ' ' N ' ' A' ' 622' ' ' GLN . . . -143.48 155.74 26.23 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.992 -0.843 . . . . 52.32 110.992 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 609' ' ' VAL . . . . . 0.407 ' HA ' ' O ' ' A' ' 620' ' ' GLY . 19.2 t -53.77 135.6 15.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 0.747 . . . . 75.209999999999994 109.315 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 610' ' ' ILE . . . . . 0.514 HG23 ' CD1' ' A' ' 588' ' ' TYR . 0.8 OUTLIER -111.64 147.99 15.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 73.010000000000005 109.332 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 42.1 t -144.58 132.45 21.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 71.310000000000002 110.005 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 612' ' ' CYS . . . . . 0.407 ' O ' ' N ' ' A' ' 616' ' ' GLY . 14.6 t -58.51 115.24 2.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 72.0 108.326 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 9.0 ttt-85 -65.49 -31.88 73.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 62.240000000000002 110.29 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 614' ' ' ASN . . . . . 0.424 ' ND2' HG21 ' A' ' 561' ' ' VAL . 3.4 m120 -58.93 -46.73 87.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 71.299999999999997 109.348 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 615' ' ' CYS . . . . . 0.443 ' SG ' ' N ' ' A' ' 559' ' ' CYS . 0.0 OUTLIER -118.62 -76.46 0.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 51.100000000000001 108.276 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 616' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 612' ' ' CYS . . . 142.27 44.7 0.05 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.513 1.133 . . . . 35.310000000000002 110.971 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -97.02 102.53 14.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 0.771 . . . . 64.140000000000001 110.295 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 54.4 t -49.31 97.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 72.109999999999999 109.291 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 619' ' ' TRP . . . . . 0.76 ' CE2' ' HE3' ' A' ' 638' ' ' MET . 43.3 m0 -63.72 -47.1 82.44 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.958 -1.127 . . . . 73.439999999999998 107.958 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 620' ' ' GLY . . . . . 0.407 ' O ' ' HA ' ' A' ' 609' ' ' VAL . . . 169.22 -100.22 0.16 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.532 1.145 . . . . 65.230000000000004 111.002 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 621' ' ' LEU . . . . . 0.759 ' C ' HD23 ' A' ' 621' ' ' LEU . 0.0 OUTLIER -158.83 169.06 25.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 0.755 . . . . 52.200000000000003 109.284 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 622' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 607' ' ' GLY . 0.2 OUTLIER -96.11 161.55 13.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 75.450000000000003 110.278 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 623' ' ' MET . . . . . 0.608 ' SD ' ' CZ2' ' A' ' 604' ' ' TRP . 11.6 mtp -148.5 122.23 9.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 75.140000000000001 111.031 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 624' ' ' ILE . . . . . . . . . . . . . 4.8 mp -97.97 144.39 11.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 75.310000000000002 109.302 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 625' ' ' TYR . . . . . 0.441 ' CD1' ' HG2' ' A' ' 626' ' ' LYS . 15.4 t80 -150.83 108.95 3.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 75.120000000000005 110.951 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 626' ' ' LYS . . . . . 0.495 ' O ' ' CB ' ' A' ' 627' ' ' SER . 0.0 OUTLIER 67.74 20.34 9.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 71.099999999999994 109.314 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 627' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 626' ' ' LYS . 3.3 p 85.6 39.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 65.230000000000004 110.036 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 628' ' ' VAL . . . . . 0.781 HG12 ' HG ' ' A' ' 630' ' ' LEU . 51.4 t -129.43 109.91 19.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 64.400000000000006 109.295 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 2.7 mmmm -68.84 99.62 1.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 70.150000000000006 109.346 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 630' ' ' LEU . . . . . 0.927 HD22 HG22 ' A' ' 580' ' ' VAL . 55.8 mt -117.68 111.62 39.4 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 75.019999999999996 109.266 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 631' ' ' PRO . . . . . 0.599 ' O ' HG12 ' A' ' 578' ' ' VAL . 18.4 Cg_endo -75.0 164.78 32.67 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.5 1.79 . . . . 74.420000000000002 111.001 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 632' ' ' VAL . . . . . 0.75 HG22 HG12 ' A' ' 578' ' ' VAL . 24.5 t -129.81 92.11 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 62.32 109.254 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 633' ' ' LEU . . . . . 0.837 ' N ' HD13 ' A' ' 633' ' ' LEU . 0.0 OUTLIER -95.49 171.47 8.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 72.540000000000006 109.31 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 7.9 mtmm -99.77 -169.86 1.81 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 73.439999999999998 109.329 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 635' ' ' VAL . . . . . 0.562 HG22 ' O ' ' A' ' 649' ' ' ALA . 1.3 p -107.99 -20.66 6.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 64.129999999999995 109.314 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 636' ' ' ARG . . . . . 0.59 ' O ' HD13 ' A' ' 557' ' ' ILE . 9.1 ptp180 -92.72 2.06 56.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 71.430000000000007 110.322 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 3.2 p -111.56 -20.04 12.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 73.5 109.974 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 638' ' ' MET . . . . . 0.76 ' HE3' ' CE2' ' A' ' 619' ' ' TRP . 35.1 mmt -105.67 146.89 29.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 53.119999999999997 111.006 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 639' ' ' LEU . . . . . 0.799 HD21 ' HD2' ' A' ' 646' ' ' ARG . 18.9 tp -107.24 153.26 22.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 72.040000000000006 109.276 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 640' ' ' LEU . . . . . 0.624 ' HB3' HG13 ' A' ' 552' ' ' VAL . 6.1 mt -121.22 99.68 6.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 74.049999999999997 109.283 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -73.74 120.63 19.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 72.150000000000006 110.272 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 642' ' ' THR . . . . . 0.865 HG21 HD12 ' A' ' 647' ' ' ILE . 0.1 OUTLIER -130.56 160.09 67.81 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 74.019999999999996 110.412 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 1.06 8.14 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.467 1.772 . . . . 63.130000000000003 111.037 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -112.11 -1.56 15.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 75.109999999999999 110.295 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 645' ' ' GLY . . . . . . . . . . . . . . . 118.91 141.83 6.68 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.487 1.117 . . . . 75.5 111.016 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 646' ' ' ARG . . . . . 0.799 ' HD2' HD21 ' A' ' 639' ' ' LEU . 22.8 mtm-85 -49.71 150.97 1.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 0.748 . . . . 74.510000000000005 110.308 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 647' ' ' ILE . . . . . 0.865 HD12 HG21 ' A' ' 642' ' ' THR . 36.0 mt -137.36 129.78 42.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 71.340000000000003 109.298 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 648' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -125.81 110.7 14.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 72.319999999999993 110.297 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 649' ' ' ALA . . . . . 0.562 ' O ' HG22 ' A' ' 635' ' ' VAL . . . -110.65 166.77 10.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 64.140000000000001 109.33 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 650' ' ' LYS . . . . . 0.43 ' C ' HG13 ' A' ' 635' ' ' VAL . 24.9 mttp -115.01 -0.37 13.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 75.120000000000005 109.296 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 651' ' ' LYS . . . . . 0.403 ' CA ' HG11 ' A' ' 635' ' ' VAL . 16.7 mtpt -137.99 128.73 26.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 72.510000000000005 109.337 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 652' ' ' TRP . . . . . 0.745 ' CG ' ' CD2' ' A' ' 577' ' ' HIS . 64.3 m95 -64.41 -24.27 67.57 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.975 -1.121 . . . . 75.5 107.975 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 653' ' ' SER . . . . . . . . . . . . . 74.6 m -64.61 -15.32 60.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 73.219999999999999 110.003 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 654' ' ' ARG . . . . . . . . . . . . . 5.8 mmt180 -103.75 -25.83 12.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 63.030000000000001 110.322 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 655' ' ' VAL . . . . . 0.68 HG13 ' CD2' ' A' ' 657' ' ' PHE . 2.1 t -42.02 134.81 2.36 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 61.039999999999999 109.301 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 656' ' ' PRO . . . . . 0.542 ' HD2' HD13 ' A' ' 640' ' ' LEU . 18.3 Cg_endo -74.99 -56.3 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.487 1.783 . . . . 74.299999999999997 110.984 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 657' ' ' PHE . . . . . 0.904 ' CE1' HG22 ' A' ' 659' ' ' VAL . 19.2 p90 -59.86 149.1 32.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.144 . . . . 71.140000000000001 110.928 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 658' ' ' SER . . . . . 0.403 ' O ' HG11 ' A' ' 549' ' ' VAL . 36.5 m -84.37 146.78 27.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 70.409999999999997 109.989 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 659' ' ' VAL . . . . . 0.904 HG22 ' CE1' ' A' ' 657' ' ' PHE . 1.5 t -123.58 103.56 34.69 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 63.420000000000002 109.339 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 660' ' ' PRO . . . . . 0.407 ' O ' ' HA ' ' A' ' 570' ' ' ARG . 18.4 Cg_endo -75.02 150.98 38.87 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.49 1.784 . . . . 73.420000000000002 111.026 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 661' ' ' ASP . . . . . 0.402 ' HA ' ' O ' ' A' ' 571' ' ' LYS . 5.2 p30 -77.5 164.53 25.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 51.210000000000001 109.28 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 662' ' ' PHE . . . . . 0.619 ' CZ ' ' CG ' ' A' ' 667' ' ' HIS . 39.9 t80 -84.02 105.46 14.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 74.230000000000004 111.031 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 663' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -83.48 121.51 27.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 65.010000000000005 109.289 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 664' ' ' PHE . . . . . 0.435 ' O ' ' CB ' ' A' ' 668' ' ' CYS . 37.5 t80 -71.21 -30.46 66.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 73.129999999999995 111.014 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 665' ' ' LEU . . . . . 0.455 HD23 ' N ' ' A' ' 665' ' ' LEU . 6.2 mt -68.64 -42.24 78.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 74.109999999999999 109.287 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -72.38 -62.42 1.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 60.210000000000001 110.305 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 667' ' ' HIS . . . . . 0.619 ' CG ' ' CZ ' ' A' ' 662' ' ' PHE . 2.4 t60 -46.79 -46.18 20.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 53.329999999999998 109.597 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 668' ' ' CYS . . . . . 0.435 ' CB ' ' O ' ' A' ' 664' ' ' PHE . 43.7 t -61.39 -40.78 95.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 74.040000000000006 108.286 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -71.1 -11.37 60.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 73.409999999999997 109.253 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 670' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -109.1 -4.31 16.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 71.230000000000004 110.278 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 671' ' ' ASN . . . . . 0.417 HD21 ' CD2' ' A' ' 667' ' ' HIS . 1.5 m-80 -108.7 -28.2 9.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 73.019999999999996 109.278 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 3.4 mt -96.2 -55.84 2.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 74.209999999999994 109.343 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 3.6 m 64.21 15.62 9.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 72.319999999999993 109.968 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -57.39 -25.28 59.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 61.43 109.291 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 675' ' ' LEU . . . . . 0.817 HD23 ' N ' ' A' ' 675' ' ' LEU . 0.8 OUTLIER -58.98 -66.7 0.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 75.219999999999999 109.327 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 676' ' ' SER . . . . . 0.706 ' C ' HD13 ' A' ' 677' ' ' LEU . 13.4 m -170.52 169.52 7.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 75.340000000000003 109.965 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 677' ' ' LEU . . . . . 0.706 HD13 ' C ' ' A' ' 676' ' ' SER . 0.1 OUTLIER -115.67 -49.15 2.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 51.520000000000003 109.279 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 9.3 t0 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 72.540000000000006 109.283 -179.993 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 679' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_